*HEADER    TRANSPORT PROTEIN                       20-JAN-15   2MY6              
*TITLE     STRUCTURE OF KSTB-PCP(APO)                                            
*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 STRAIN: TP-A0468;                                                    
*SOURCE   5 GENE: KSTB2;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3);                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    PPANT BINNDING DOMAIN, APO, TRANSPORT PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.ZHAO                                                                
*REVDAT   1   20-JAN-16 2MY6    0                                                


!Met-1

!intra

assign (resid 1 and name HN) (resid 1 and name HB#)   1.8 0.0 1.1

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

assign (resid 1 and name HA) (resid 1 and name HB#)   1.8 0.0 1.1


assign (resid 1 and name HA) (resid 1 and name HN)    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 HN) (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 1.1

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



!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 HG#) (resid 4 and name HN)  1.8 0.0 4.2

assign (resid 2 and name HN) (resid 4 and name HN) 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 1.7
assign (resid 2 and name HG#) (resid 77 and name HG2#) 1.8 0.0 1.7







!His-3

!intra

assign (resid 3 and name HN) (resid 3 and name HB1) 1.8 0.0 1.7
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 1.7
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 1.7

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 HA) (resid 1 and name HB#)  1.8 0.0 1.7

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

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

assign (resid 4 and name HN) (resid 1 and name HG#) 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 HB#) (resid 5 and name HA)   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 7 and name HD1#)  1.8 0.0 4.2

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

assign (resid 4 and name HB#) (resid 7 and name HD1#) 1.8 0.0 4.2







!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 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 HA) 1.8 0.0 1.1
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 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 8 and name HN) 1.8 0.0 3.2

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

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

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


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


! assign (resid 6 and name HG#) (resid 10 and name HZ)  1.8 0.0 4.2

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 6 and name HA) 1.8 0.0 1.7


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


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 2.5


assign (resid 7 and name HB) (resid 4 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 HN) (resid 10 and name HD#)    1.8 0.0 3.2

assign (resid 7 and name HN) (resid 10 and name HE#)    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 3.5

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 1.7
assign (resid 7 and name HD1#) (resid 73 and name HB1) 1.8 0.0 1.7

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 5 and name HA) 1.8 0.0 3.2


assign (resid 8 and name HB#) (resid 7 and name HD1#) 1.8 0.0 3.2

assign (resid 8 and name HN)  (resid 7 and name HD1#) 1.8 0.0 3.2


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

assign (resid 8 and name HB#) (resid 69 and name HG1#) 1.8 0.0 4.2 
!overlap with other signal check







!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 1.7

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 HG#)  1.8 0.0 1.7

!inter

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

assign (resid 9 and name HN) (resid 5 and name HA) 1.8 0.0 3.2      !add 201406

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

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 2.5


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 HG1) 1.8 0.0 3.2
assign (resid 9 and name HA) (resid 21 and name HG2) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 21 and name HB#) 1.8 0.0 1.7







!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

!inter

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 11 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HN) (resid 6 and name HA) 1.8 0.0 4.2    !add201406

assign (resid 10 and name HN) (resid 7 and name HA) 1.8 0.0 4.2    !add201406

assign (resid 10 and name HN) (resid 8 and name HA) 1.8 0.0 4.2    !add201406

assign (resid 10 and name HN) (resid 9 and name HE2#) 1.8 0.0 1.7  !add201406








!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 HG#) (resid 8 and name HA)  1.8 0.0 2.5

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

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


assign (resid 11 and name HA) (resid 12 and name HG#) 1.8 0.0 3.2 
! overlap with other signal


assign (resid 11 and name HG#) (resid 13 and name HG1) 1.8 0.0 3.2
assign (resid 11 and name HG#) (resid 13 and name HG2) 1.8 0.0 3.2

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

assign (resid 11 and name HG#) (resid 21 and name HB#) 1.8 0.0 1.7








!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 HB#) 1.8 0.0 4.2


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


assign (resid 12 and name HN) (resid 11 and name HA) 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 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 1.1

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


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

!assign (resid 12 and name HN) (resid 16 and name HB#) 1.8 0.0 3.2   ! HB1


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

assign (resid 12 and name HG#) (resid 18 and name HA) 1.8 0.0 3.2

assign (resid 12 and name HG#) (resid 21 and name HA) 1.8 0.0 4.2    ! add 201406

assign (resid 12 and name HG#) (resid 22 and name HN) 1.8 0.0 4.2     !add 201406




!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  ! 1.1
assign (resid 13 and name HA) (resid 13 and name HG2)  1.8 0.0 1.7

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 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

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


!inter

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

assign (resid 13 and name HG#) (resid 10 and name HA) 1.8 0.0 3.2  ! only HG2

assign (resid 13 and name HN)  (resid 10 and name HA) 1.8 0.0 1.7


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

assign (resid 13 and name HG1) (resid 12 and name HG#) 1.8 0.0 1.7
assign (resid 13 and name HG2) (resid 12 and name HG#) 1.8 0.0 3.2







!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  ! may 1.7

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  ! may 1.7

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 12 and name HN) 1.8 0.0 3.2


assign (resid 14 and name HB#) (resid 15 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 HB1) 1.8 0.0 3.2
assign (resid 14 and name HN) (resid 13 and name HB2) 1.8 0.0 3.2


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


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 3.2

assign (resid 14 and name HN) (resid 15 and name HB#) 1.8 0.0 3.2   ! only HB2







!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 1.7

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 3.2
assign (resid 15 and name HN) (resid 14 and name HG2) 1.8 0.0 3.2

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

assign (resid 15 and name HN)  (resid 16 and name HB#) 1.8 0.0 3.2   !  only HB1







!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 1.7    !May 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  
! overlap with other signal
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 1.7

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   ! check assign

!assign (resid 16 and name HD#) (resid 35 and name HA)   1.8 0.0 1.7   ! check assign


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

assign (resid 16 and name HN) (resid 14 and name HN)    1.8 0.0 2.2


assign (resid 16 and name HN) (resid 15 and name HB1)   1.8 0.0 1.7
assign (resid 16 and name HN) (resid 15 and name HB2)   1.8 0.0 1.7


assign (resid 16 and name HD#) (resid 18 and name HB#)  1.8 0.0 3.2 
 !  only HB2

assign (resid 16 and name HA)  (resid 17 and name HD#)  1.8 0.0 1.7 
!only indeed   HD2


assign (resid 16 and name HB2) (resid 19 and name HB)   1.8 0.0 2.2
assign (resid 16 and name HB1) (resid 19 and name HB)   1.8 0.0 3.2







!Pro-17

!intra

assign (resid 17 and name HA) (resid 17 and name HB#)   1.8 0.0 1.1

assign (resid 17 and name HA) (resid 17 and name HD1)   1.8 0.0 1.7
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  ! overlap with other signal
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 4.2   
! only indeed  HG1

assign (resid 17 and name HD1) (resid 15 and name HA) 1.8 0.0 2.5
assign (resid 17 and name HD2) (resid 15 and name HA) 1.8 0.0 3.2

assign (resid 17 and name HD1) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 17 and name HD2) (resid 15 and name HN) 1.8 0.0 3.2   
! before 3.2 auto-modified


assign (resid 17 and name HD1) (resid 16 and name HA) 1.8 0.0 1.7   
! overlap with other signal
assign (resid 17 and name HD2) (resid 16 and name HA) 1.8 0.0 1.7

assign (resid 17 and name HD1) (resid 16 and name HG) 1.8 0.0 3.2
assign (resid 17 and name HD2) (resid 16 and name HG) 1.8 0.0 3.2


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

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







!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 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 3.2

assign (resid 18 and name HN) (resid 17 and name HD1) 1.8 0.0 3.2
assign (resid 18 and name HN) (resid 17 and name HD2) 1.8 0.0 1.7

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

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

assign (resid 18 and name HN) (resid 19 and name HN) 1.8 0.0 1.1







!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 1.1


assign (resid 19 and name HN) (resid 17 and name HA) 1.8 0.0 3.2

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 21 and name HG#) 1.8 0.0 3.2


assign (resid 19 and name HN) (resid 16 and name HB1) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 16 and name HB2) 1.8 0.0 3.2


assign (resid 19 and name HB) (resid 21 and name HG#) 1.8 0.0 3.2  ! only HG2








!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 1.7


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 21 and name HA)  1.8 0.0 3.2
! 2.2 may better


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 HB1) 1.8 0.0 1.7
! double emerge
assign (resid 20 and name HB#) (resid 23 and name HB2) 1.8 0.0 2.2

assign (resid 20 and name HA) (resid 22 and name HN) 1.8 0.0 3.2   !add 201406

assign (resid 20 and name HN) (resid 23 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 20 and name HN) (resid 22 and name HN) 1.8 0.0 3.2    !add 201406


!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 HD#) (resid 21 and name HB#) 1.8 0.0 1.1

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

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 HD#) (resid 12 and name HG#) 1.8 0.0 1.7

assign (resid 21 and name HG#) (resid 12 and name HG#) 1.8 0.0 1.7   ! HG1#


assign (resid 21 and name HD#) (resid 20 and name HA)  1.8 0.0 1.7


assign (resid 21 and name HG#) (resid 22 and name HB#) 1.8 0.0 2.2   ! unsure   HG1


assign (resid 21 and name HD#) (resid 24 and name HG#) 1.8 0.0 3.2

assign (resid 21 and name HA)  (resid 23 and name HA) 1.8 0.0 3.2      !add 201406





!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 23 and name HB#) 1.8 0.0 3.2


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 1.7
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 1.1

assign (resid 22 and name HN)  (resid 20 and name HA) 1.8 0.0 3.2    !add 201406







!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 3.2


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 HB)  1.8 0.0 3.2

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







!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 HG#) 1.8 0.0 1.1

assign (resid 24 and name HB) (resid 24 and name HG#) 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 HG#) 1.8 0.0 1.7

!inter

assign (resid 24 and name HN) (resid 22 and name HA)  1.8 0.0 1.7

assign (resid 24 and name HN) (resid 22 and name HB#) 1.8 0.0 1.7


assign (resid 24 and name HA) (resid 23 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 1.7


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 HG#) 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 HG#) 1.8 0.0 3.2


assign (resid 25 and name HB#) (resid 28 and name HB1) 1.8 0.0 4.2
assign (resid 25 and name HB#) (resid 28 and name HB2) 1.8 0.0 4.2

assign (resid 25 and name HN) (resid 28 and name HB#)  1.8 0.0 4.2   ! HB1 certain

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







!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 1.7

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 HG#) (resid 26 and name HB) 1.8 0.0 1.7

!inter

assign (resid 26 and name HG#) (resid 4 and name HB#) 1.8 0.0 3.2    ! only HG2#


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

assign (resid 26 and name HN) (resid 25 and name HN)  1.8 0.0 1.7


assign (resid 26 and name HA)   (resid 69 and name HB)  1.8 0.0 3.2


assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG2#) 1.8 0.0 1.7  
! only strength unsure

assign (resid 26 and (name HG2# or name HG1#)) (resid 69 and name HG1#) 1.8 0.0 2.2  
! max 2.2   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 1.7

!inter

assign (resid 27 and name HB#) (resid 26 and name HN) 1.8 0.0 3.2   ! unsure exit

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 1.7

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

assign (resid 27 and name HN) (resid 28 and name HN) 1.8 0.0 1.1







!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  !  certain
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 1.7
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  !May 3.2

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 1.7
assign (resid 28 and name HB2) (resid 25 and name HB#)  1.8 0.0 1.7

assign (resid 28 and name HD1#) (resid 25 and name HB#) 1.8 0.0 4.2

assign (resid 28 and name HN) (resid 25 and name HB#) 1.8 0.0 1.7


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







!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 1.7


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







!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 HD#) 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 HD#) 1.8 0.0 1.1
assign (resid 30 and name HB2) (resid 30 and name HD#) 1.8 0.0 1.1
!assign (resid 30 and name HD2#) (resid 30 and name HB1) 1.8 0.0 1.7

assign (resid 30 and name HD#) (resid 30 and name HG) 1.8 0.0 1.7

assign (resid 30 and name HD#) (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 HG) (resid 30 and name HD#) 1.8 0.0 1.1

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 HD#) (resid 29 and name HA)  1.8 0.0 1.7

assign (resid 30 and name HN)  (resid 29 and name HB#) 1.8 0.0 3.2   !HB1

assign (resid 30 and name HN)  (resid 29 and name HA)  1.8 0.0 1.1

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

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

assign (resid 30 and name HN)  (resid 32 and name HN)  1.8 0.0 3.2


assign (resid 30 and name HB2) (resid 36 and name HD#) 1.8 0.0 1.7    ! indeed different
assign (resid 30 and name HB1) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HD#) (resid 36 and name HD#) 1.8 0.0 3.2    ! HD2#


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 HD1#) 1.8 0.0 4.2

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


assign (resid 30 and name HB#) (resid 87 and name HE#) 1.8 0.0 3.2    ! HB2


assign (resid 30 and name HG) (resid 30 and name HB#) 1.8 0.0 3.2    ! HB1








!Val-31

!intra

assign (resid 31 and name HA) (resid 31 and name HG#) 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 HG#) 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 HG#) 1.8 0.0 1.7

!inter

assign (resid 31 and name HN) (resid 29 and name HA) 1.8 0.0 1.7


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 HD#) 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 1.7


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

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

assign (resid 31 and name HN) (resid 33 and name HN) 1.8 0.0 2.5







!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 HB#) (resid 29 and name HB#)  1.8 0.0 3.2

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 HG#)  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 33 and name HN)  (resid 31 and name HG#)  1.8 0.0 1.7







!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 HB1) (resid 31 and name HG#) 1.8 0.0 4.2
assign (resid 33 and name HB2) (resid 31 and name HG#) 1.8 0.0 3.2

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


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 3.2







!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 HG#) 1.8 0.0 1.7


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


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 1.1

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







!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 HG1#) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 35 and name HG2#) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 35 and name HG1#) (resid 15 and name HB2) 1.8 0.0 3.2
assign (resid 35 and name HG2#) (resid 15 and name HB2) 1.8 0.0 3.2


assign (resid 35 and name HG#) (resid 16 and name HB1) 1.8 0.0 3.2   ! may not right
assign (resid 35 and name HG#) (resid 16 and name HB2) 1.8 0.0 3.2


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


assign (resid 35 and name HB)  (resid 34 and name HA#) 1.8 0.0 2.5

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


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

assign (resid 35 and name HB)  (resid 36 and name HN) 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 HG#) (resid 36 and name HN) 1.8 0.0 2.2

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

assign (resid 35 and name HA) (resid 36 and name HN) 1.8 0.0 3.2   !add 201406





!Ile

!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 1.7

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 HD#) 1.8 0.0 1.1
assign (resid 36 and name HG12) (resid 36 and name HD#) 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 1.1
assign (resid 36 and name HG2#) (resid 36 and name HG12) 1.8 0.0 1.1

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

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

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

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

!inter

assign (resid 36 and name HN) (resid 31 and name HA)   1.8 0.0 1.7


assign (resid 36 and name HN) (resid 34 and name HA#)  1.8 0.0 1.7

assign (resid 36 and name HB) (resid 31 and name HA) 1.8 0.0 1.7


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


assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 2.5   !double emerge

assign (resid 36 and name HG2#) (resid 37 and name HN) 1.8 0.0 1.7


assign (resid 36 and name HG2#) (resid 41 and name HB#) 1.8 0.0 1.7

assign (resid 36 and name HD#) (resid 41 and name HB#)  1.8 0.0 3.2    ! double emerge

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

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


assign (resid 36 and name HD#) (resid 65 and name HB#) 1.8 0.0 4.2     !HB2


assign (resid 36 and name HD#) (resid 66 and name HB#) 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 1.7
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 3.2

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 1.7

assign (resid 37 and name HN) (resid 36 and name HG11) 1.8 0.0 3.2
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 1.7


assign (resid 37 and name HN) ((resid 35 and name HG#) or (resid 41 and name HD#)) 1.8 0.0 1.7


assign (resid 37 and name HB#) (resid 38 and name HB#) 1.8 0.0 3.2   ! double emerge

assign (resid 37 and name HB#) (resid 41 and name HD#) 1.8 0.0 3.2     !add 201406





!Ala-38

!intra

assign (resid 38 and name HA)  (resid 38 and name HB#) 1.8 0.0 1.1

assign (resid 38 and name HB#) (resid 38 and name HN)  1.8 0.0 1.1

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

!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 1.7
assign (resid 38 and name HN) (resid 37 and name HB2) 1.8 0.0 3.2

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

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


assign (resid 38 and name HA) (resid 41 and name HD#) 1.8 0.0 4.2

assign (resid 38 and name HA) (resid 41 and name HB#) 1.8 0.0 4.2   ! double emerge

assign (resid 38 and name HN) (resid 40 and name HA1) 1.8 0.0 3.2  !add 201406
assign (resid 38 and name HN) (resid 40 and name HA2) 1.8 0.0 3.2  !add 201406

assign (resid 38 and name HN) (resid 41 and name HB1) 1.8 0.0 4.2  !add 201406 
assign (resid 38 and name HN) (resid 41 and name HB2) 1.8 0.0 4.2  !add 201406 

assign (resid 38 and name HA) (resid 41 and name HB#) 1.8 0.0 3.2  !add 201406






!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    !1.7

assign (resid 39 and name HA) (resid 39 and name HD#) 1.8 0.0 1.7   ! HD1#
!assign (resid 39 and name HD1#) (resid 39 and name HA) 1.8 0.0 1.1

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 1.7

assign (resid 39 and name HB1) (resid 39 and name HD#) 1.8 0.0 1.1    !1.7
assign (resid 39 and name HB2) (resid 39 and name HD#) 1.8 0.0 1.1    !1.7

assign (resid 39 and name HD#) (resid 39 and name HG) 1.8 0.0 3.2    ! HD1#

assign (resid 39 and name HN) (resid 39 and name HD#) 1.8 0.0 1.7

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 HB1) 1.8 0.0 3.2
assign (resid 39 and name HN) (resid 37 and name HB2) 1.8 0.0 3.2

assign (resid 39 and name HN) (resid 37 and name HN) 1.8 0.0 3.2


assign (resid 39 and name HB1) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB2) (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 2.5

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

assign (resid 39 and name HN) (resid 42 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 39 and name HN) (resid 43 and name HN) 1.8 0.0 4.2    !add 201406

assign (resid 39 and name HN) (resid 43 and name HN) 1.8 0.0 4.2    !add 201406

assign (resid 39 and name HN) (resid 42 and name HN) 1.8 0.0 4.2    !add 201406

assign (resid 39 and name HN) (resid 43 and name HZ) 1.8 0.0 4.2    !add 201406


!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 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 HN)  (resid 37 and name HN)   1.8 0.0 3.2


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 HD#) 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 1.7

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


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

assign (resid 40 and name HA1) (resid 39 and name HN) 1.8 0.0 3.2    !add 201406
assign (resid 40 and name HA2) (resid 39 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 40 and name HA1) (resid 39 and name HB#) 1.8 0.0 3.2    !add 201406
assign (resid 40 and name HA2) (resid 39 and name HB#) 1.8 0.0 4.2    !add 201406

assign (resid 40 and name HA1) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201406
assign (resid 40 and name HA2) (resid 43 and name HD#) 1.8 0.0 3.2    !add 201406

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


!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 HD#) 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 HD#) 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 2.5

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

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

!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 2.2


assign (resid 41 and name HN) (resid 37 and name HN)   1.8 0.0 2.2


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

!assign (resid 41 and name HD#) (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 1.7


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 HD#) (resid 42 and name HA) 1.8 0.0 3.2

assign (resid 41 and name HD#) (resid 42 and name HG) 1.8 0.0 3.2

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


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


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

assign (resid 41 and name HG)  (resid 45 and name HD#) 1.8 0.0 1.7


assign (resid 41 and name HD#) (resid 66 and name HB2) 1.8 0.0 4.2
assign (resid 41 and name HD#) (resid 66 and name HB1) 1.8 0.0 4.2

assign (resid 41 and name HN)  (resid 43 and name HN) 1.8 0.0 3.2     !add 201406

assign (resid 41 and name HD1#)  (resid 66 and name HD#) 1.8 0.0 4.2    !add 201406
assign (resid 41 and name HD1#)  (resid 66 and name HE#) 1.8 0.0 4.2    !add 201406





!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 1.7

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 HD#) 1.8 0.0 3.2


assign (resid 42 and name HN) (resid 43 and name HA) 1.8 0.0 3.2

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

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


assign (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 1.7

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 1.7

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






!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 1.7
assign (resid 43 and name HA)  (resid 43 and name HG2) 1.8 0.0 1.7

assign (resid 43 and name HB1) (resid 43 and name HN)  1.8 0.0 1.7   ! may weaker
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    !3.2

assign (resid 43 and name HD#) (resid 43 and name HA)  1.8 0.0 1.7

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 1.7
assign (resid 43 and name HN)  (resid 43 and name HG2) 1.8 0.0 1.7

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 2.2
assign (resid 43 and name HE#) (resid 43 and name HB1) 1.8 0.0 2.2


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 2.2   ! strength unsure

assign (resid 43 and name HN) (resid 43 and name HE#) 1.8 0.0 2.2   ! strength unsure

!inter

assign (resid 43 and name HD#) (resid 14 and name HG1) 1.8 0.0 3.2
assign (resid 43 and name HD#) (resid 14 and name HG2) 1.8 0.0 1.7

assign (resid 43 and name HD#) (resid 14 and name HB#) 1.8 0.0 3.2

assign (resid 43 and name HE#) (resid 14 and name HG#) 1.8 0.0 3.2    !HG1@



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 1.7
assign (resid 43 and name HN) (resid 42 and name HB2) 1.8 0.0 1.7

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

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


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 1.7







!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 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 1.7

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 1.7

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 HZ3) 1.8 0.0 3.2     !add 201406

assign (resid 44 and name HA) (resid 47 and name HZ2) 1.8 0.0 3.2     !add 201406

assign (resid 44 and name HA) (resid 47 and name HH2) 1.8 0.0 3.2     !add 201406

assign (resid 44 and name HA) (resid 47 and name HN) 1.8 0.0 4.2     !add 201404

assign (resid 44 and name HN) (resid 42 and name HN) 1.8 0.0 3.2     !add 201406

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 201406

assign (resid 44 and name HN) (resid 47 and name HZ3) 1.8 0.0 3.2     !add 201406





!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 HD#) (resid 45 and name HA) 1.8 0.0 1.7

assign (resid 45 and name HG11) (resid 45 and name HA) 1.8 0.0 1.7
assign (resid 45 and name HG12) (resid 45 and name HA) 1.8 0.0 1.7


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 HD#) 1.8 0.0 1.1
assign (resid 45 and name HG12) (resid 45 and name HD#) 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 HD#) 1.8 0.0 1.1

assign (resid 45 and name HG2#) (resid 45 and name HN) 1.8 0.0 3.2


assign (resid 45 and name HA) (resid 48 and name HB1) 1.8 0.0 3.2    !add 201406
assign (resid 45 and name HA) (resid 48 and name HB2) 1.8 0.0 3.2    !add 201406

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


!inter

assign (resid 45 and name HN) (resid 43 and name HA) 1.8 0.0 3.2

assign (resid 45 and name HD#) (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 3.2

!assign (resid 45 and name HB) (resid 44 and name HA) 1.8 0.0 3.2    
! exit? overlap with other signal

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 1.7


assign (resid 45 and name HB) (resid 46 and name HB#)  1.8 0.0 3.2

assign (resid 45 and name HB) (resid 46 and name HN)   1.8 0.0 2.2    ! double emerge

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 HG2#) (resid 56 and name HA) 1.8 0.0 4.2    ! double emerge

assign (resid 45 and name HG2#) (resid 56 and name HB#) 1.8 0.0 3.2


assign (resid 45 and name HD#) (resid 61 and name HB#) 1.8 0.0 4.2   ! HB2

assign (resid 45 and name HD#) (resid 61 and name HD#) 1.8 0.0 3.2







!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 HD#) 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


assign (resid 46 and name HN) (resid 47 and name HB#)  1.8 0.0 3.2


assign (resid 46 and name HB#) (resid 48 and name HD#) 1.8 0.0 3.2


assign (resid 46 and name HA) (resid 49 and name HG#) 1.8 0.0 3.2

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 3.2    !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





!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 3.2

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 3.2  

! assign (resid 47 and name HE1) (resid 7 and name HG1#) 1.8 0.0 4.2  
! violated 20110920

assign (resid 47 and name HB1) (resid 44 and name HA) 1.8 0.0 4.2
assign (resid 47 and name HB2) (resid 44 and name HA) 1.8 0.0 4.2

assign (resid 47 and name HB#) (resid 48 and name HA) 1.8 0.0 4.2      !add201406

assign (resid 47 and name HN) (resid 48 and name HD2#) 1.8 0.0 1.7

assign (resid 47 and name HN) (resid 48 and name HN) 1.8 0.0 1.1


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 3.2
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 HA)  (resid 48 and name HD#) 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    ! double emerge


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    !  indeed weak 3.2

assign (resid 48 and name HN) (resid 48 and name HG)   1.8 0.0 1.7

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 1.7

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#) 1.8 0.0 1.1



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 3.2


assign (resid 48 and name HA) (resid 10 and name HE#) 1.8 0.0 3.2

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 1.7
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 3.2

assign (resid 48 and name HD#) (resid 47 and name HH2) 1.8 0.0 3.2

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 49 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 48 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 48 and name HA) (resid 51 and name HB1) 1.8 0.0 3.2
assign (resid 48 and name HA) (resid 51 and name HB2) 1.8 0.0 3.2

assign (resid 48 and name HA) (resid 50 and name HB#) 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

assign (resid 48 and name HA) (resid 47 and name HE3) 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 1.7

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 1.7
assign (resid 49 and name HG2) (resid 49 and name HN)  1.8 0.0 1.7

!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 45 and name HA) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 47 and name HB#) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 47 and name HA) 1.8 0.0 1.7


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 1.7



assign (resid 49 and name HN) (resid 50 and name HB#) 1.8 0.0 3.2


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 HG2#) 1.8 0.0 4.2
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 4.2


assign (resid 49 and name HB1) (resid 56 and name HA) 1.8 0.0 2.5
assign (resid 49 and name HB2) (resid 56 and name HA) 1.8 0.0 2.5

assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 49 and name HN) (resid 51 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 49 and name HN) (resid 52 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 49 and name HA) (resid 52 and name HN) 1.8 0.0 3.2    !add 201406





!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 1.7
assign (resid 50 and name HN) (resid 49 and name HB1) 1.8 0.0 2.5

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 2.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 2.2
assign (resid 51 and name HD1) (resid 51 and name HG2) 1.8 0.0 2.2
assign (resid 51 and name HD2) (resid 51 and name HG1) 1.8 0.0 2.2

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 1.7
assign (resid 51 and name HN) (resid 51 and name HG2) 1.8 0.0 1.7

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 7 and name HG1#) 1.8 0.0 4.2  


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 3.2


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 1.7
assign (resid 52 and name HB1) (resid 54 and name HG2#) 1.8 0.0 1.7
assign (resid 52 and name HB2) (resid 54 and name HG2#) 1.8 0.0 1.7

assign (resid 52 and name HN) (resid 54 and name HN)  1.8 0.0 1.7


assign (resid 52 and name HB#) (resid 76 and (name HG1# or name HG2#)) 1.8 0.0 4.2


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 3.2

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







!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 1.7

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    !HB2


assign (resid 54 and name HN)  (resid 49 and name HB#) 1.8 0.0 2.5


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 HD1#) (resid 76 and name HA) 1.8 0.0 1.1 ! repeated

assign (resid 54 and name HD1#) (resid 76 and name HG#) 1.8 0.0 3.2

assign (resid 54 and name HG2#) (resid 76 and name HG#) 1.8 0.0 4.2


assign (resid 54 and name HD1#) (resid 80 and name HG2#) 1.8 0.0 1.7

!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 3.2     


assign (resid 55 and name HB#) (resid 54 and name HA) 1.8 0.0 1.7

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 1.7

assign (resid 55 and name HN) (resid 56 and name HN)  1.8 0.0 1.7

assign (resid 55 and name HN) (resid 56 and name HB#) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HA) 1.8 0.0 3.2







!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 2.2

!inter

assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 1.7







!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 1.1
assign (resid 57 and name HN) (resid 57 and name HB2) 1.8 0.0 1.1

!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 3.2

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 HN) 1.8 0.0 3.2

assign (resid 57 and name HN) (resid 59 and name HG#) 1.8 0.0 4.2





!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 1.7


assign (resid 58 and name HN) (resid 59 and name HG#) 1.8 0.0 1.7




!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 HG#) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 59 and name HG#) 1.8 0.0 1.1
 
assign (resid 59 and name HB) (resid 59 and name HN)  1.8 0.0 1.7

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 HG#) 1.8 0.0 1.7

!inter

assign (resid 59 and name HA) (resid 60 and name HN) 1.8 0.0 1.1

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 1.1

assign (resid 59 and name HN) (resid 58 and name HB#) 1.8 0.0 3.2


assign (resid 59 and name HN) (resid 59 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HN) (resid 58 and name HN) 1.8 0.0 1.7







!Glu-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  1.7

!inter

assign (resid 60 and name HN) (resid 59 and name HG#) 1.8 0.0 1.7


assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 1.1

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 2.5

! 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 1.7
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 1.7

assign (resid 61 and name HD2#) (resid 61 and name HA) 1.8 0.0 1.7
assign (resid 61 and name HD1#) (resid 61 and name HA) 1.8 0.0 1.7

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 1.7


assign (resid 61 and name HG) (resid 61 and name HN) 1.8 0.0 1.7

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   !Manual add

assign (resid 61 and name HN) (resid 61 and name HD#) 1.8 0.0 1.7

!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 2.5

assign (resid 61 and name HN) (resid 60 and name HB#) 1.8 0.0 1.7







!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 1.1
assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 1.7

!inter

assign (resid 62 and name HB#) (resid 65 and name HB#) 1.8 0.0 4.2


assign (resid 62 and name HN) (resid 61 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HN) (resid 61 and name HB1) 1.8 0.0 1.7
assign (resid 62 and name HN) (resid 61 and name HB2) 1.8 0.0 1.7

assign (resid 62 and name HN) (resid 61 and name HD#) 1.8 0.0 1.7


assign (resid 62 and name HN) (resid 63 and name HG#) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 64 and name HG#) 1.8 0.0 4.2    !add 201406 

assign (resid 62 and name HN) (resid 60 and name HB#) 1.8 0.0 4.2    !add 201406

assign (resid 62 and name HN) (resid 66 and name HZ) 1.8 0.0 4.2

assign (resid 62 and name HN) (resid 66 and name HD#) 1.8 0.0 3.2    !add 201406

assign (resid 62 and name HN) (resid 66 and name HE#) 1.8 0.0 1.7   !add 201406

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 HA) 1.8 0.0 1.7
assign (resid 63 and name HB2) (resid 63 and name HA) 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 HD#) 1.8 0.0 3.2 
! 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 3.2    !add 201404 
assign (resid 63 and name HA) (resid 66 and name HB2)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HN)  1.8 0.0 3.2    !add 201404 

assign (resid 63 and name HA) (resid 66 and name HD#)  1.8 0.0 1.7    !add 201406 

assign (resid 63 and name HA) (resid 66 and name HZ)  1.8 0.0 3.2    !add 201406 





!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 1.7
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 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 65 and name HA) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 1.7


assign (resid 64 and name HA) (resid 66 and name HB#) 1.8 0.0 4.2    !HB2

assign (resid 64 and name HN) (resid 66 and name HD#) 1.8 0.0 3.2    !add 201406

assign (resid 64 and name HN) (resid 66 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 64 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2    !add 201406
assign (resid 64 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2    !add 201406

assign (resid 64 and name HA) (resid 66 and name HA) 1.8 0.0 3.2    !add 201406

assign (resid 64 and name HA) (resid 67 and name HA) 1.8 0.0 3.2    !add 201406





!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 2.2
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 1.7
assign (resid 66 and name HN) (resid 66 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 66 and name HB2) (resid 30 and name HD#) 1.8 0.0 2.2
assign (resid 66 and name HB1) (resid 30 and name HD#) 1.8 0.0 2.2


assign (resid 66 and name HB#) (resid 31 and name HG#) 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 1.1







!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 1.7
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HN)  (resid 67 and name HD#) 1.8 0.0 2.2

assign (resid 67 and name HN)  (resid 67 and name HG#) 1.8 0.0 2.5

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 1.7
assign (resid 67 and name HE) (resid 67 and name HB2) 1.8 0.0 1.7

assign (resid 67 and name HE) (resid 67 and name HG#) 1.8 0.0 1.7

assign (resid 67 and name HE) (resid 67 and name HN) 1.8 0.0 1.7


!inter

assign (resid 67 and name HA)  (resid 31 and name HG#)  1.8 0.0 1.1

assign (resid 67 and name HD#) (resid 31 and name HG#) 1.8 0.0 1.7


assign (resid 67 and name HD#) (resid 64 and name HA) 1.8 0.0 2.5

assign (resid 67 and name HG#) (resid 64 and name HA) 1.8 0.0 4.2   !HG1

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 1.7

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 1.7


assign (resid 67 and name HG#) (resid 69 and name HD1#) 1.8 0.0 3.2








!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 27 and name HA) 1.8 0.0 4.2
assign (resid 68 and name HB2) (resid 27 and name HA) 1.8 0.0 4.2


assign (resid 68 and name HB1) (resid 29 and name HA) 1.8 0.0 1.7  
! overlap with other signal
assign (resid 68 and name HB2) (resid 29 and name HA) 1.8 0.0 1.7


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 66 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 2.2


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 HG11) 1.8 0.0 3.2
assign (resid 68 and name HN)  (resid 72 and name HG12) 1.8 0.0 3.2

assign (resid 68 and name HN)  (resid 72 and name HN)   1.8 0.0 2.2






!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 1.7

assign (resid 69 and name HN) (resid 69 and name HD1#)  1.8 0.0 1.7

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 1.7

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 1.7

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

!assign (resid 69 and name HG2#) (resid 8 and name HA)  1.8 0.0 2.2

! assign (resid 69 and name HG2#) ((resid 4 and name HB#) or (resid 8 and name HB#)) 1.8 0.0 4.2
! violated 20110920

assign (resid 69 and name HG1#) (resid 24 and name HG#) 1.8 0.0 2.5   ! overlap


assign (resid 69 and name HB) (resid 26 and name HG#)  1.8 0.0 1.7

assign (resid 69 and name HN) (resid 26 and name HA) 1.8 0.0 4.2

assign (resid 69 and name HD1#) (resid 26 and name HB)  1.8 0.0 1.7

assign (resid 69 and name HD1#) (resid 26 and name HA)  1.8 0.0 3.2   ! may 3.2

assign (resid 69 and name HG2#) (resid 26 and name HA) 1.8 0.0 1.7

assign (resid 69 and name HG2#) (resid 26 and name HB) 1.8 0.0 1.7


!assign (resid 69 and name HD1#)  (resid 28 and name HB#) 1.8 0.0 3.2

!assign (resid 69 and name HG2#) (resid 28 and name HB#) 1.8 0.0 2.2


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 HB1)  1.8 0.0 3.2
assign (resid 69 and name HN) (resid 68 and name HB2)  1.8 0.0 3.2


assign (resid 69 and name HA)  (resid 72 and name HD1#) 1.8 0.0 3.2


assign (resid 69 and name HN) (resid 70 and name HN)   1.8 0.0 1.7

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 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




!Arg-70

!intra

assign (resid 70 and name HA) (resid 70 and name HG1) 1.8 0.0 1.7
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 2.2
assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 2.2

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 HB2) 1.8 0.0 1.7
assign (resid 70 and name HD2) (resid 70 and name HB2) 1.8 0.0 1.7

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 1.7

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 1.7

!inter

assign (resid 70 and name HB#) (resid 26 and name HG#) 1.8 0.0 3.2


assign (resid 70 and name HD1) (resid 29 and name HA) 1.8 0.0 1.7
assign (resid 70 and name HD2) (resid 29 and name HA) 1.8 0.0 1.7


assign (resid 70 and name HA) (resid 69 and name HG1#) 1.8 0.0 3.2

assign (resid 70 and name HA) (resid 71 and name HN) 1.8 0.0 1.1   
!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 67 and name HG#) 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 HN) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 72 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 1.1
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 72 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 71 and name HN) (resid 73 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 71 and name HN) (resid 74 and name HN) 1.8 0.0 3.2    !add 201406

assign (resid 71 and name HA) (resid 73 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 201406




!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 1.7

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   !manual add
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 3.2


assign (resid 72 and name HD1#) (resid 66 and name HB#) 1.8 0.0 4.2     !HB2

assign (resid 72 and name HN)  (resid 66 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 68 and name HN) 1.8 0.0 3.2

assign (resid 72 and name HN)  (resid 69 and name HA) 1.8 0.0 3.2  ! check assign


assign (resid 72 and name HN)  (resid 73 and name HB#) 1.8 0.0 3.2


! assign (resid 72 and name HN)  (resid 75 and name HA) 1.8 0.0 4.2
! violated 20110920

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 1.7

assign (resid 73 and name HB1) (resid 7 and name HD1#) 1.8 0.0 1.7
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 2.2   ! 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 1.7

assign (resid 73 and name HN) (resid 72 and name HB) 1.8 0.0 1.7


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







!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 1.1


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 3.2


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 77 and name HB) 1.8 0.0 3.2   !add 201406

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 3.2   !add 201404

assign (resid 74 and name HB#) (resid 73 and name HB2) 1.8 0.0 3.2   !add 201404
assign (resid 74 and name HB#) (resid 73 and name HB1) 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 2.2
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 HB2) (resid 65 and name HB1) 1.8 0.0 4.2
assign (resid 75 and name HB1) (resid 65 and name HB2) 1.8 0.0 4.2

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 HG2#) (resid 76 and name HG1#) 1.8 0.0 1.1

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 HG#) (resid 7 and name HD1#)  1.8 0.0 4.2
!   HG2# severe doubt


assign (resid 76 and name HG#) (resid 48 and name HB#) 1.8 0.0 4.2   !  HB1

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 HA) (resid 52 and name HB2) 1.8 0.0 4.2


assign (resid 76 and name HA) (resid 54 and name HD1#) 1.8 0.0 3.2

assign (resid 76 and name HG#) (resid 54 and name HD1#) 1.8 0.0 3.2   ! only HG1#

assign (resid 76 and name HN) (resid 65 and name HE1) 1.8 0.0 3.2


assign (resid 76 and name HG#) (resid 75 and name HB2)  1.8 0.0 3.2   ! only HG2#
assign (resid 76 and name HG#) (resid 75 and name HB1)  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 HG#) (resid 77 and name HA) 1.8 0.0 3.2    !  only  HG1#

assign (resid 76 and name HG#) (resid 77 and name HG#) 1.8 0.0 1.7

assign (resid 76 and name HB) (resid 77 and name HG#) 1.8 0.0 3.2   ! may 1.7  double emerge

assign (resid 76 and name HB) (resid 77 and name HN) 1.8 0.0 2.5   ! double emerge

assign (resid 76 and name HN) (resid 77 and name HB) 1.8 0.0 3.2

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 3.2    ! double emerge


assign (resid 76 and name HG#) (resid 80 and name HG2#) 1.8 0.0 1.7   ! certain HG1#

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 79 and name HN) 1.8 0.0 3.2    !add 201406



!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

assign (resid 77 and name HA) (resid 78 and name HN) 1.8 0.0 3.2   !add 201406

assign (resid 77 and name HN) (resid 79 and name HN) 1.8 0.0 3.2   !add 201406






!inter

assign (resid 77 and name HG2#) (resid 2 and name HB#) 1.8 0.0 1.1


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 HG#) 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 HG#) 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 201406

assign (resid 77 and name HA) (resid 79 and name HN) 1.8 0.0 3.2   !add 201406

assign (resid 77 and name HN) (resid 79 and name HN) 1.8 0.0 3.2   !add 201406

assign (resid 77 and name HN) (resid 75 and name HN) 1.8 0.0 3.2   !add 201406






!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 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 3.2







!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 1.1

assign (resid 80 and name HG2#) (resid 80 and name HN) 1.8 0.0 2.2

!inter

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 1.7


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 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 3.2

assign (resid 80 and name HN) (resid 81 and name HN) 1.8 0.0 1.1

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 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 1.7

!inter

assign (resid 81 and name HB) (resid 77 and name HG#) 1.8 0.0 3.2   ! HG1#


assign (resid 81 and name HB) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 81 and name HN) (resid 79 and name HB#) 1.8 0.0 3.2


assign (resid 81 and name HG2#) (resid 80 and name HA) 1.8 0.0 3.2

assign (resid 81 and name HB) (resid 80 and name HA) 1.8 0.0 3.2

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   ! HD1

assign (resid 81 and name HB)  (resid 82 and name HD1) 1.8 0.0 1.7
assign (resid 81 and name HB)  (resid 82 and name HD2) 1.8 0.0 1.7

assign (resid 81 and name HG2#) (resid 82 and name HD1) 1.8 0.0 3.2
assign (resid 81 and name HG2#) (resid 82 and name HD2) 1.8 0.0 2.5







!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 2.2

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 1.7
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 1.7
assign (resid 85 and name HN) (resid 85 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 85 and name HN) (resid 84 and name HG#) 1.8 0.0 1.7







!Ala-86







!Lys-87








!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

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER  -1           H1       SER  -1  11.992  -9.788  -2.459
    2    H2   SER  -1           H2       SER  -1  12.163 -11.333  -3.145
    3    H3   SER  -1           H3       SER  -1  12.184 -11.144  -1.457
    4    HA   SER  -1           HA       SER  -1   9.876 -10.765  -3.281
    5    HB2  SER  -1           HB3      SER  -1  10.175 -13.076  -2.751
    6    HB3  SER  -1           HB2      SER  -1  10.572 -12.713  -1.075
    7    HG   SER  -1           HG       SER  -1   8.140 -11.743  -1.937
    8    H    GLU   0           H        GLU   0  11.449  -9.201  -0.889
    9    HA   GLU   0           HA       GLU   0   9.563  -8.798   1.180
   10    HB2  GLU   0           HB3      GLU   0  11.916  -7.938   1.178
   11    HB3  GLU   0           HB2      GLU   0  11.425  -6.709   0.012
   12    HG2  GLU   0           HG3      GLU   0   9.714  -5.902   1.637
   13    HG3  GLU   0           HG2      GLU   0  10.319  -7.070   2.812
   14    H    MET   1           H        MET   1   9.740  -7.419  -2.062
   15    HA   MET   1           HA       MET   1   7.865  -5.309  -1.738
   16    HB2  MET   1           HB3      MET   1   8.481  -7.052  -4.136
   17    HB3  MET   1           HB2      MET   1   7.453  -5.620  -4.205
   18    HG2  MET   1           HG3      MET   1   9.343  -4.267  -3.297
   19    HG3  MET   1           HG2      MET   1  10.365  -5.704  -3.363
   20    HE1  MET   1           HE1      MET   1  11.384  -3.479  -4.336
   21    HE2  MET   1           HE2      MET   1  11.479  -3.182  -6.078
   22    HE3  MET   1           HE3      MET   1  12.241  -4.609  -5.381
   23    H    GLN   2           H        GLN   2   7.380  -8.773  -2.302
   24    HA   GLN   2           HA       GLN   2   5.411 -10.051  -2.276
   25    HB2  GLN   2           HB3      GLN   2   4.455  -7.742  -0.552
   26    HB3  GLN   2           HB2      GLN   2   3.685  -9.325  -0.667
   27    HG2  GLN   2           HG3      GLN   2   6.530  -8.843   0.268
   28    HG3  GLN   2           HG2      GLN   2   5.155  -9.153   1.329
   29   HE21  GLN   2          HE22      GLN   2   7.732 -10.771   0.347
   30   HE22  GLN   2          HE21      GLN   2   7.085 -12.316   0.068
   31    H    HIS   3           H        HIS   3   5.689  -8.634  -4.586
   32    HA   HIS   3           HA       HIS   3   4.382  -8.059  -6.452
   33    HB2  HIS   3           HB3      HIS   3   1.908  -7.969  -4.734
   34    HB3  HIS   3           HB2      HIS   3   2.065  -8.398  -6.433
   35    HD1  HIS   3           HD1      HIS   3   3.360 -10.728  -6.924
   36    HD2  HIS   3           HD2      HIS   3   2.051 -10.154  -3.005
   37    HE1  HIS   3           HE1      HIS   3   3.400 -13.005  -5.813
   38    HE2  HIS   3           HE2      HIS   3   2.606 -12.668  -3.427
   39    H    ALA   4           H        ALA   4   5.738  -6.038  -5.327
   40    HA   ALA   4           HA       ALA   4   4.226  -3.870  -4.269
   41    HB1  ALA   4           HB1      ALA   4   6.531  -3.551  -4.084
   42    HB2  ALA   4           HB2      ALA   4   6.133  -2.485  -5.430
   43    HB3  ALA   4           HB3      ALA   4   6.836  -4.071  -5.742
   44    H    SER   5           H        SER   5   4.963  -4.804  -7.614
   45    HA   SER   5           HA       SER   5   3.848  -2.515  -8.892
   46    HB2  SER   5           HB3      SER   5   3.903  -5.361  -9.927
   47    HB3  SER   5           HB2      SER   5   3.747  -3.900 -10.897
   48    HG   SER   5           HG       SER   5   5.814  -3.394 -10.487
   49    H    VAL   6           H        VAL   6   2.353  -5.514  -7.744
   50    HA   VAL   6           HA       VAL   6  -0.200  -5.124  -8.954
   51    HB   VAL   6           HB       VAL   6   0.600  -6.542  -6.411
   52   HG11  VAL   6          HG11      VAL   6  -1.686  -7.716  -6.910
   53   HG12  VAL   6          HG12      VAL   6  -2.054  -6.230  -7.786
   54   HG13  VAL   6          HG13      VAL   6  -1.685  -6.169  -6.062
   55   HG21  VAL   6          HG21      VAL   6   1.529  -7.498  -8.469
   56   HG22  VAL   6          HG22      VAL   6  -0.071  -7.500  -9.210
   57   HG23  VAL   6          HG23      VAL   6   0.267  -8.556  -7.839
   58    H    ILE   7           H        ILE   7   1.051  -4.135  -5.776
   59    HA   ILE   7           HA       ILE   7  -1.340  -2.925  -4.813
   60    HB   ILE   7           HB       ILE   7   1.537  -2.108  -4.293
   61   HG12  ILE   7          HG13      ILE   7  -0.235  -3.946  -2.662
   62   HG13  ILE   7          HG12      ILE   7   0.900  -4.544  -3.872
   63   HG21  ILE   7          HG21      ILE   7   0.525  -1.327  -2.104
   64   HG22  ILE   7          HG22      ILE   7  -1.062  -1.580  -2.830
   65   HG23  ILE   7          HG23      ILE   7   0.041  -0.387  -3.516
   66   HD11  ILE   7          HD11      ILE   7   2.686  -3.174  -2.633
   67   HD12  ILE   7          HD12      ILE   7   2.098  -4.626  -1.824
   68   HD13  ILE   7          HD13      ILE   7   1.512  -3.039  -1.324
   69    H    ALA   8           H        ALA   8   1.394  -1.551  -6.637
   70    HA   ALA   8           HA       ALA   8   0.345   1.101  -6.832
   71    HB1  ALA   8           HB1      ALA   8   1.957   1.412  -8.625
   72    HB2  ALA   8           HB2      ALA   8   2.105  -0.332  -8.846
   73    HB3  ALA   8           HB3      ALA   8   2.706   0.425  -7.370
   74    H    GLN   9           H        GLN   9  -0.158  -1.822  -8.752
   75    HA   GLN   9           HA       GLN   9  -1.484  -0.645 -10.966
   76    HB2  GLN   9           HB3      GLN   9  -0.771  -3.056 -10.774
   77    HB3  GLN   9           HB2      GLN   9  -2.150  -3.318  -9.705
   78    HG2  GLN   9           HG3      GLN   9  -3.662  -2.493 -11.508
   79    HG3  GLN   9           HG2      GLN   9  -2.266  -2.355 -12.578
   80   HE21  GLN   9          HE22      GLN   9  -1.452  -4.945 -10.752
   81   HE22  GLN   9          HE21      GLN   9  -2.140  -6.197 -11.669
   82    H    PHE  10           H        PHE  10  -2.747  -1.685  -7.801
   83    HA   PHE  10           HA       PHE  10  -5.493  -1.100  -8.452
   84    HB2  PHE  10           HB3      PHE  10  -4.019  -1.426  -5.842
   85    HB3  PHE  10           HB2      PHE  10  -5.729  -0.998  -5.892
   86    HD1  PHE  10           HD2      PHE  10  -7.330  -2.515  -7.169
   87    HD2  PHE  10           HD1      PHE  10  -3.321  -3.671  -6.152
   88    HE1  PHE  10           HE2      PHE  10  -7.932  -4.897  -7.509
   89    HE2  PHE  10           HE1      PHE  10  -3.924  -6.053  -6.489
   90    HZ   PHE  10           HZ       PHE  10  -6.229  -6.664  -7.165
   91    H    VAL  11           H        VAL  11  -3.063   0.781  -6.603
   92    HA   VAL  11           HA       VAL  11  -4.819   3.025  -6.245
   93    HB   VAL  11           HB       VAL  11  -3.013   4.106  -5.275
   94   HG11  VAL  11          HG11      VAL  11  -3.313   1.498  -4.649
   95   HG12  VAL  11          HG12      VAL  11  -2.144   2.547  -3.846
   96   HG13  VAL  11          HG13      VAL  11  -1.624   1.486  -5.154
   97   HG21  VAL  11          HG21      VAL  11  -1.596   4.409  -7.182
   98   HG22  VAL  11          HG22      VAL  11  -1.310   2.677  -7.324
   99   HG23  VAL  11          HG23      VAL  11  -0.617   3.573  -5.978
  100    H    VAL  12           H        VAL  12  -2.446   2.186  -8.744
  101    HA   VAL  12           HA       VAL  12  -2.576   4.665 -10.170
  102    HB   VAL  12           HB       VAL  12  -1.990   1.857 -11.126
  103   HG11  VAL  12          HG11      VAL  12  -2.663   3.224 -13.026
  104   HG12  VAL  12          HG12      VAL  12  -0.913   3.017 -13.063
  105   HG13  VAL  12          HG13      VAL  12  -1.607   4.534 -12.492
  106   HG21  VAL  12          HG21      VAL  12  -0.553   3.475  -9.422
  107   HG22  VAL  12          HG22      VAL  12   0.145   3.876 -10.992
  108   HG23  VAL  12          HG23      VAL  12   0.144   2.206 -10.429
  109    H    GLU  13           H        GLU  13  -4.395   1.611 -10.554
  110    HA   GLU  13           HA       GLU  13  -6.052   2.634 -12.688
  111    HB2  GLU  13           HB3      GLU  13  -6.344   0.274 -10.834
  112    HB3  GLU  13           HB2      GLU  13  -7.452   0.613 -12.155
  113    HG2  GLU  13           HG3      GLU  13  -5.559   0.555 -13.744
  114    HG3  GLU  13           HG2      GLU  13  -4.481   0.143 -12.417
  115    H    GLU  14           H        GLU  14  -6.145   2.817  -9.239
  116    HA   GLU  14           HA       GLU  14  -8.940   3.270  -8.877
  117    HB2  GLU  14           HB3      GLU  14  -7.310   2.798  -7.037
  118    HB3  GLU  14           HB2      GLU  14  -6.665   4.427  -7.245
  119    HG2  GLU  14           HG3      GLU  14  -8.942   5.347  -6.806
  120    HG3  GLU  14           HG2      GLU  14  -9.513   3.707  -6.492
  121    H    PHE  15           H        PHE  15  -6.336   5.426  -9.902
  122    HA   PHE  15           HA       PHE  15  -8.421   7.502 -10.378
  123    HB2  PHE  15           HB3      PHE  15  -7.223   8.008  -8.242
  124    HB3  PHE  15           HB2      PHE  15  -5.714   8.092  -9.152
  125    HD1  PHE  15           HD1      PHE  15  -9.134   9.568  -8.914
  126    HD2  PHE  15           HD2      PHE  15  -5.105  10.057 -10.315
  127    HE1  PHE  15           HE1      PHE  15  -9.634  11.919  -9.525
  128    HE2  PHE  15           HE2      PHE  15  -5.604  12.408 -10.930
  129    HZ   PHE  15           HZ       PHE  15  -7.868  13.338 -10.534
  130    H    LEU  16           H        LEU  16  -5.088   6.421 -11.076
  131    HA   LEU  16           HA       LEU  16  -5.336   7.808 -13.718
  132    HB2  LEU  16           HB3      LEU  16  -3.100   7.584 -11.770
  133    HB3  LEU  16           HB2      LEU  16  -2.685   7.527 -13.482
  134    HG   LEU  16           HG       LEU  16  -4.567   9.639 -12.485
  135   HD11  LEU  16          HD11      LEU  16  -2.597   9.733 -10.991
  136   HD12  LEU  16          HD12      LEU  16  -2.644  11.125 -12.073
  137   HD13  LEU  16          HD13      LEU  16  -1.538   9.792 -12.401
  138   HD21  LEU  16          HD21      LEU  16  -4.151  10.614 -14.513
  139   HD22  LEU  16          HD22      LEU  16  -3.687   8.974 -14.967
  140   HD23  LEU  16          HD23      LEU  16  -2.451  10.144 -14.502
  141    HA   PRO  17           HA       PRO  17  -4.871   3.266 -14.517
  142    HB2  PRO  17           HB2      PRO  17  -6.836   3.104 -16.417
  143    HB3  PRO  17           HB3      PRO  17  -7.133   2.907 -14.681
  144    HG2  PRO  17           HG3      PRO  17  -7.694   5.209 -16.445
  145    HG3  PRO  17           HG2      PRO  17  -8.552   4.650 -15.002
  146    HD2  PRO  17           HD3      PRO  17  -6.791   6.812 -15.091
  147    HD3  PRO  17           HD2      PRO  17  -7.298   5.963 -13.617
  148    H    ASP  18           H        ASP  18  -4.718   6.119 -16.438
  149    HA   ASP  18           HA       ASP  18  -3.734   4.707 -18.826
  150    HB2  ASP  18           HB3      ASP  18  -4.109   7.632 -18.179
  151    HB3  ASP  18           HB2      ASP  18  -3.489   7.043 -19.715
  152    H    VAL  19           H        VAL  19  -2.372   5.257 -15.955
  153    HA   VAL  19           HA       VAL  19   0.262   6.100 -17.099
  154    HB   VAL  19           HB       VAL  19  -0.640   6.126 -14.204
  155   HG11  VAL  19          HG11      VAL  19   1.881   6.859 -15.659
  156   HG12  VAL  19          HG12      VAL  19   1.686   6.035 -14.112
  157   HG13  VAL  19          HG13      VAL  19   1.425   7.775 -14.223
  158   HG21  VAL  19          HG21      VAL  19  -1.872   7.752 -15.632
  159   HG22  VAL  19          HG22      VAL  19  -0.330   8.411 -16.178
  160   HG23  VAL  19          HG23      VAL  19  -0.802   8.558 -14.485
  161    H    ALA  20           H        ALA  20   1.942   4.660 -17.005
  162    HA   ALA  20           HA       ALA  20   1.403   1.909 -16.318
  163    HB1  ALA  20           HB1      ALA  20   3.210   3.141 -17.934
  164    HB2  ALA  20           HB2      ALA  20   3.368   1.472 -17.385
  165    HB3  ALA  20           HB3      ALA  20   4.224   2.764 -16.540
  166    HA   PRO  21           HA       PRO  21   2.134   2.519 -11.866
  167    HB2  PRO  21           HB2      PRO  21   2.658  -0.412 -11.982
  168    HB3  PRO  21           HB3      PRO  21   1.577   0.498 -10.912
  169    HG2  PRO  21           HG3      PRO  21   0.668  -0.975 -12.956
  170    HG3  PRO  21           HG2      PRO  21  -0.127   0.516 -12.426
  171    HD2  PRO  21           HD3      PRO  21   1.487   0.023 -14.870
  172    HD3  PRO  21           HD2      PRO  21   0.204   1.219 -14.575
  173    H    ALA  22           H        ALA  22   4.272   0.789 -14.068
  174    HA   ALA  22           HA       ALA  22   6.519   0.539 -12.301
  175    HB1  ALA  22           HB1      ALA  22   7.816   0.109 -14.289
  176    HB2  ALA  22           HB2      ALA  22   6.618   0.904 -15.308
  177    HB3  ALA  22           HB3      ALA  22   6.233  -0.631 -14.529
  178    H    ASP  23           H        ASP  23   5.202   3.210 -14.099
  179    HA   ASP  23           HA       ASP  23   7.639   4.823 -13.930
  180    HB2  ASP  23           HB3      ASP  23   5.959   5.078 -15.774
  181    HB3  ASP  23           HB2      ASP  23   4.813   5.702 -14.586
  182    H    VAL  24           H        VAL  24   5.693   3.787 -11.568
  183    HA   VAL  24           HA       VAL  24   5.527   6.416 -10.162
  184    HB   VAL  24           HB       VAL  24   4.384   3.775  -9.235
  185   HG11  VAL  24          HG11      VAL  24   3.104   6.382  -8.643
  186   HG12  VAL  24          HG12      VAL  24   4.682   6.121  -7.899
  187   HG13  VAL  24          HG13      VAL  24   3.366   4.989  -7.593
  188   HG21  VAL  24          HG21      VAL  24   3.028   5.922 -10.906
  189   HG22  VAL  24          HG22      VAL  24   2.257   4.473 -10.260
  190   HG23  VAL  24          HG23      VAL  24   3.507   4.331 -11.497
  191    H    ASP  25           H        ASP  25   6.887   6.812  -8.447
  192    HA   ASP  25           HA       ASP  25   8.862   4.720  -7.782
  193    HB2  ASP  25           HB3      ASP  25   8.595   7.616  -6.913
  194    HB3  ASP  25           HB2      ASP  25   9.914   6.548  -6.429
  195    H    VAL  26           H        VAL  26   8.458   3.354  -6.109
  196    HA   VAL  26           HA       VAL  26   6.279   3.867  -4.244
  197    HB   VAL  26           HB       VAL  26   6.886   1.708  -3.294
  198   HG11  VAL  26          HG11      VAL  26   6.159   0.509  -5.095
  199   HG12  VAL  26          HG12      VAL  26   7.437   1.124  -6.142
  200   HG13  VAL  26          HG13      VAL  26   6.001   2.100  -5.837
  201   HG21  VAL  26          HG21      VAL  26   9.392   2.081  -4.949
  202   HG22  VAL  26          HG22      VAL  26   8.908   0.518  -4.289
  203   HG23  VAL  26          HG23      VAL  26   9.279   1.857  -3.203
  204    H    ASP  27           H        ASP  27   9.248   5.201  -4.432
  205    HA   ASP  27           HA       ASP  27   9.979   5.005  -1.587
  206    HB2  ASP  27           HB3      ASP  27  11.147   6.564  -3.911
  207    HB3  ASP  27           HB2      ASP  27  11.804   6.590  -2.277
  208    H    LEU  28           H        LEU  28   7.953   6.892  -3.555
  209    HA   LEU  28           HA       LEU  28   8.108   9.260  -1.775
  210    HB2  LEU  28           HB3      LEU  28   7.972   9.578  -4.243
  211    HB3  LEU  28           HB2      LEU  28   6.399   8.788  -4.237
  212    HG   LEU  28           HG       LEU  28   5.616  10.532  -2.592
  213   HD11  LEU  28          HD11      LEU  28   7.142  12.679  -2.811
  214   HD12  LEU  28          HD12      LEU  28   8.413  11.492  -3.103
  215   HD13  LEU  28          HD13      LEU  28   7.504  11.456  -1.593
  216   HD21  LEU  28          HD21      LEU  28   5.285  12.244  -4.287
  217   HD22  LEU  28          HD22      LEU  28   5.212  10.663  -5.068
  218   HD23  LEU  28          HD23      LEU  28   6.667  11.650  -5.208
  219    H    ASP  29           H        ASP  29   6.474   9.763  -0.326
  220    HA   ASP  29           HA       ASP  29   4.793   7.684   0.625
  221    HB2  ASP  29           HB3      ASP  29   4.565  10.692   0.957
  222    HB3  ASP  29           HB2      ASP  29   3.600   9.526   1.861
  223    H    LEU  30           H        LEU  30   2.684   7.166   0.230
  224    HA   LEU  30           HA       LEU  30   1.600   7.734  -2.354
  225    HB2  LEU  30           HB3      LEU  30   1.233   5.756  -0.592
  226    HB3  LEU  30           HB2      LEU  30  -0.157   6.748  -0.156
  227    HG   LEU  30           HG       LEU  30   0.498   5.740  -2.936
  228   HD11  LEU  30          HD11      LEU  30  -0.919   4.597  -0.704
  229   HD12  LEU  30          HD12      LEU  30  -0.633   3.903  -2.299
  230   HD13  LEU  30          HD13      LEU  30  -2.051   4.912  -2.019
  231   HD21  LEU  30          HD21      LEU  30  -1.964   6.634  -3.213
  232   HD22  LEU  30          HD22      LEU  30  -0.609   7.757  -3.321
  233   HD23  LEU  30          HD23      LEU  30  -1.543   7.644  -1.830
  234    H    VAL  31           H        VAL  31   0.854   8.978   0.888
  235    HA   VAL  31           HA       VAL  31  -1.488  10.430   0.118
  236    HB   VAL  31           HB       VAL  31   0.463  10.891   2.384
  237   HG11  VAL  31          HG11      VAL  31  -1.967  11.985   3.102
  238   HG12  VAL  31          HG12      VAL  31  -1.843  12.428   1.398
  239   HG13  VAL  31          HG13      VAL  31  -0.576  12.906   2.529
  240   HG21  VAL  31          HG21      VAL  31  -2.163  10.027   3.143
  241   HG22  VAL  31          HG22      VAL  31  -0.635   9.169   3.343
  242   HG23  VAL  31          HG23      VAL  31  -1.577   8.957   1.868
  243    H    ASP  32           H        ASP  32   1.946  11.313   0.098
  244    HA   ASP  32           HA       ASP  32   1.701  14.088  -0.320
  245    HB2  ASP  32           HB3      ASP  32   3.666  12.116  -1.529
  246    HB3  ASP  32           HB2      ASP  32   3.830  13.868  -1.665
  247    H    ASN  33           H        ASN  33   1.189  11.394  -2.504
  248    HA   ASN  33           HA       ASN  33   0.921  12.965  -4.909
  249    HB2  ASN  33           HB3      ASN  33  -0.015  10.209  -4.129
  250    HB3  ASN  33           HB2      ASN  33  -0.247  10.875  -5.739
  251   HD21  ASN  33          HD22      ASN  33   2.232  12.255  -6.053
  252   HD22  ASN  33          HD21      ASN  33   3.490  11.116  -6.076
  253    H    GLY  34           H        GLY  34  -1.309  11.883  -2.396
  254    HA2  GLY  34           HA3      GLY  34  -3.403  12.884  -1.853
  255    HA3  GLY  34           HA2      GLY  34  -3.298  13.844  -3.332
  256    H    VAL  35           H        VAL  35  -2.541  10.670  -4.026
  257    HA   VAL  35           HA       VAL  35  -4.845  10.246  -5.654
  258    HB   VAL  35           HB       VAL  35  -2.819   8.289  -4.535
  259   HG11  VAL  35          HG11      VAL  35  -4.423   6.773  -5.146
  260   HG12  VAL  35          HG12      VAL  35  -3.797   7.096  -6.763
  261   HG13  VAL  35          HG13      VAL  35  -5.250   7.920  -6.199
  262   HG21  VAL  35          HG21      VAL  35  -2.863   8.842  -7.409
  263   HG22  VAL  35          HG22      VAL  35  -1.508   8.892  -6.281
  264   HG23  VAL  35          HG23      VAL  35  -2.567  10.292  -6.450
  265    H    ILE  36           H        ILE  36  -4.093   9.350  -2.322
  266    HA   ILE  36           HA       ILE  36  -6.574   7.782  -2.089
  267    HB   ILE  36           HB       ILE  36  -4.516   8.578  -0.005
  268   HG12  ILE  36          HG13      ILE  36  -4.998   5.913  -1.367
  269   HG13  ILE  36          HG12      ILE  36  -3.742   7.049  -1.840
  270   HG21  ILE  36          HG21      ILE  36  -7.156   7.446   0.216
  271   HG22  ILE  36          HG22      ILE  36  -6.008   7.827   1.500
  272   HG23  ILE  36          HG23      ILE  36  -5.955   6.253   0.708
  273   HD11  ILE  36          HD11      ILE  36  -2.395   6.273  -0.211
  274   HD12  ILE  36          HD12      ILE  36  -3.638   5.104   0.236
  275   HD13  ILE  36          HD13      ILE  36  -3.610   6.695   0.995
  276    H    ASP  37           H        ASP  37  -8.453   8.806  -1.779
  277    HA   ASP  37           HA       ASP  37  -8.473  11.367  -0.246
  278    HB2  ASP  37           HB3      ASP  37 -10.245  10.384  -2.501
  279    HB3  ASP  37           HB2      ASP  37 -10.590  11.816  -1.539
  280    H    ALA  38           H        ALA  38 -11.183  11.522   0.277
  281    HA   ALA  38           HA       ALA  38 -11.498   9.697   2.464
  282    HB1  ALA  38           HB1      ALA  38 -13.186  11.748   1.122
  283    HB2  ALA  38           HB2      ALA  38 -12.830  11.535   2.837
  284    HB3  ALA  38           HB3      ALA  38 -14.040  10.518   2.054
  285    H    LEU  39           H        LEU  39 -13.217   9.872  -0.663
  286    HA   LEU  39           HA       LEU  39 -14.442   7.268  -0.323
  287    HB2  LEU  39           HB3      LEU  39 -13.972   8.823  -2.879
  288    HB3  LEU  39           HB2      LEU  39 -15.130   7.519  -2.648
  289    HG   LEU  39           HG       LEU  39 -15.172  10.235  -1.326
  290   HD11  LEU  39          HD11      LEU  39 -16.010  10.126  -3.660
  291   HD12  LEU  39          HD12      LEU  39 -17.303  10.477  -2.513
  292   HD13  LEU  39          HD13      LEU  39 -17.132   8.853  -3.179
  293   HD21  LEU  39          HD21      LEU  39 -16.659   7.683  -0.767
  294   HD22  LEU  39          HD22      LEU  39 -17.447   9.235  -0.483
  295   HD23  LEU  39          HD23      LEU  39 -15.959   8.832   0.375
  296    H    GLY  40           H        GLY  40 -11.543   8.582  -1.775
  297    HA2  GLY  40           HA3      GLY  40 -10.664   6.286  -3.193
  298    HA3  GLY  40           HA2      GLY  40  -9.603   7.538  -2.540
  299    H    LEU  41           H        LEU  41 -10.308   7.268   0.191
  300    HA   LEU  41           HA       LEU  41  -8.588   5.116   0.979
  301    HB2  LEU  41           HB3      LEU  41  -8.991   7.190   2.314
  302    HB3  LEU  41           HB2      LEU  41 -10.624   6.620   2.650
  303    HG   LEU  41           HG       LEU  41  -8.472   4.670   3.217
  304   HD11  LEU  41          HD11      LEU  41  -7.239   6.447   4.115
  305   HD12  LEU  41          HD12      LEU  41  -8.195   5.925   5.502
  306   HD13  LEU  41          HD13      LEU  41  -8.685   7.344   4.577
  307   HD21  LEU  41          HD21      LEU  41  -9.940   4.009   4.910
  308   HD22  LEU  41          HD22      LEU  41 -11.064   4.660   3.717
  309   HD23  LEU  41          HD23      LEU  41 -10.596   5.633   5.110
  310    H    LEU  42           H        LEU  42 -12.118   5.512   0.949
  311    HA   LEU  42           HA       LEU  42 -12.767   3.011   2.167
  312    HB2  LEU  42           HB3      LEU  42 -14.419   4.814   1.799
  313    HB3  LEU  42           HB2      LEU  42 -14.286   4.581   0.057
  314    HG   LEU  42           HG       LEU  42 -14.847   2.042   0.827
  315   HD11  LEU  42          HD11      LEU  42 -16.255   1.918   2.674
  316   HD12  LEU  42          HD12      LEU  42 -16.663   3.632   2.603
  317   HD13  LEU  42          HD13      LEU  42 -15.089   3.125   3.215
  318   HD21  LEU  42          HD21      LEU  42 -17.302   2.763   0.363
  319   HD22  LEU  42          HD22      LEU  42 -16.099   3.009  -0.904
  320   HD23  LEU  42          HD23      LEU  42 -16.614   4.366   0.101
  321    H    LYS  43           H        LYS  43 -12.365   3.916  -1.242
  322    HA   LYS  43           HA       LYS  43 -12.933   1.367  -2.348
  323    HB2  LYS  43           HB3      LYS  43 -11.130   3.576  -3.348
  324    HB3  LYS  43           HB2      LYS  43 -11.612   2.184  -4.309
  325    HG2  LYS  43           HG3      LYS  43 -14.001   2.808  -3.946
  326    HG3  LYS  43           HG2      LYS  43 -13.461   4.258  -3.102
  327    HD2  LYS  43           HD3      LYS  43 -12.204   4.932  -5.155
  328    HD3  LYS  43           HD2      LYS  43 -12.890   3.539  -5.991
  329    HE2  LYS  43           HE3      LYS  43 -14.612   4.900  -6.535
  330    HE3  LYS  43           HE2      LYS  43 -15.112   4.747  -4.851
  331    HZ1  LYS  43           HZ1      LYS  43 -13.482   6.642  -4.437
  332    HZ2  LYS  43           HZ2      LYS  43 -14.950   7.024  -5.195
  333    HZ3  LYS  43           HZ3      LYS  43 -13.528   6.895  -6.116
  334    H    VAL  44           H        VAL  44  -9.947   2.740  -1.050
  335    HA   VAL  44           HA       VAL  44  -8.145   0.730  -1.942
  336    HB   VAL  44           HB       VAL  44  -8.122   2.478   0.527
  337   HG11  VAL  44          HG11      VAL  44  -5.654   1.901   0.546
  338   HG12  VAL  44          HG12      VAL  44  -6.016   0.616  -0.606
  339   HG13  VAL  44          HG13      VAL  44  -6.722   0.575   1.010
  340   HG21  VAL  44          HG21      VAL  44  -6.161   2.833  -1.654
  341   HG22  VAL  44          HG22      VAL  44  -7.101   4.042  -0.779
  342   HG23  VAL  44          HG23      VAL  44  -7.832   3.153  -2.116
  343    H    ILE  45           H        ILE  45  -9.902   1.009   1.142
  344    HA   ILE  45           HA       ILE  45  -9.028  -1.539   2.140
  345    HB   ILE  45           HB       ILE  45 -11.128   0.455   2.890
  346   HG12  ILE  45          HG13      ILE  45  -9.867   0.330   5.039
  347   HG13  ILE  45          HG12      ILE  45  -8.805  -0.878   4.318
  348   HG21  ILE  45          HG21      ILE  45 -11.640  -1.175   4.826
  349   HG22  ILE  45          HG22      ILE  45 -10.967  -2.422   3.777
  350   HG23  ILE  45          HG23      ILE  45 -12.385  -1.507   3.264
  351   HD11  ILE  45          HD11      ILE  45  -9.141   1.575   2.713
  352   HD12  ILE  45          HD12      ILE  45  -7.678   0.666   3.085
  353   HD13  ILE  45          HD13      ILE  45  -8.325   1.814   4.255
  354    H    ALA  46           H        ALA  46 -11.789  -0.531   0.181
  355    HA   ALA  46           HA       ALA  46 -13.381  -2.867   0.534
  356    HB1  ALA  46           HB1      ALA  46 -14.732  -1.557  -0.684
  357    HB2  ALA  46           HB2      ALA  46 -13.771  -1.958  -2.107
  358    HB3  ALA  46           HB3      ALA  46 -13.376  -0.531  -1.150
  359    H    TRP  47           H        TRP  47 -11.007  -2.134  -2.075
  360    HA   TRP  47           HA       TRP  47 -11.339  -4.844  -3.146
  361    HB2  TRP  47           HB3      TRP  47 -10.477  -3.877  -4.982
  362    HB3  TRP  47           HB2      TRP  47 -10.201  -2.391  -4.069
  363    HD1  TRP  47           HD1      TRP  47  -8.470  -5.806  -4.659
  364    HE1  TRP  47           HE1      TRP  47  -5.920  -5.442  -4.504
  365    HE3  TRP  47           HE3      TRP  47  -8.374  -0.868  -3.455
  366    HZ2  TRP  47           HZ2      TRP  47  -4.084  -3.314  -3.935
  367    HZ3  TRP  47           HZ3      TRP  47  -6.221   0.316  -3.106
  368    HH2  TRP  47           HH2      TRP  47  -4.075  -0.904  -3.350
  369    H    LEU  48           H        LEU  48  -8.790  -3.084  -1.388
  370    HA   LEU  48           HA       LEU  48  -6.884  -5.174  -1.328
  371    HB2  LEU  48           HB3      LEU  48  -6.504  -2.801  -0.593
  372    HB3  LEU  48           HB2      LEU  48  -7.429  -3.149   0.865
  373    HG   LEU  48           HG       LEU  48  -5.736  -5.149   1.102
  374   HD11  LEU  48          HD11      LEU  48  -4.800  -4.253  -1.253
  375   HD12  LEU  48          HD12      LEU  48  -3.754  -5.018  -0.056
  376   HD13  LEU  48          HD13      LEU  48  -3.820  -3.260  -0.173
  377   HD21  LEU  48          HD21      LEU  48  -5.540  -2.273   1.811
  378   HD22  LEU  48          HD22      LEU  48  -4.066  -3.218   2.022
  379   HD23  LEU  48          HD23      LEU  48  -5.544  -3.691   2.859
  380    H    GLU  49           H        GLU  49  -9.580  -4.478   0.905
  381    HA   GLU  49           HA       GLU  49  -8.941  -6.690   2.657
  382    HB2  GLU  49           HB3      GLU  49 -10.930  -6.136   3.805
  383    HB3  GLU  49           HB2      GLU  49 -10.335  -4.598   3.200
  384    HG2  GLU  49           HG3      GLU  49 -12.550  -4.475   2.538
  385    HG3  GLU  49           HG2      GLU  49 -11.829  -5.218   1.115
  386    H    ASP  50           H        ASP  50 -11.052  -6.267  -0.150
  387    HA   ASP  50           HA       ASP  50 -12.501  -8.701   0.064
  388    HB2  ASP  50           HB3      ASP  50 -12.999  -6.818  -1.513
  389    HB3  ASP  50           HB2      ASP  50 -11.624  -7.340  -2.482
  390    H    ARG  51           H        ARG  51  -9.344  -8.029  -1.416
  391    HA   ARG  51           HA       ARG  51  -8.998 -10.543  -2.679
  392    HB2  ARG  51           HB3      ARG  51  -6.963  -8.624  -1.550
  393    HB3  ARG  51           HB2      ARG  51  -6.560 -10.007  -2.560
  394    HG2  ARG  51           HG3      ARG  51  -8.111  -9.096  -4.315
  395    HG3  ARG  51           HG2      ARG  51  -8.300  -7.651  -3.322
  396    HD2  ARG  51           HD3      ARG  51  -5.716  -8.696  -4.511
  397    HD3  ARG  51           HD2      ARG  51  -6.577  -7.233  -4.986
  398    HE   ARG  51           HE       ARG  51  -6.109  -6.757  -2.343
  399   HH11  ARG  51          HH22      ARG  51  -4.165  -7.933  -4.937
  400   HH12  ARG  51          HH21      ARG  51  -2.692  -7.277  -4.307
  401   HH21  ARG  51          HH11      ARG  51  -4.196  -5.894  -1.507
  402   HH22  ARG  51          HH12      ARG  51  -2.709  -6.121  -2.364
  403    H    PHE  52           H        PHE  52  -8.297  -9.567   0.683
  404    HA   PHE  52           HA       PHE  52  -7.232 -12.286   1.180
  405    HB2  PHE  52           HB3      PHE  52  -7.310  -9.776   2.870
  406    HB3  PHE  52           HB2      PHE  52  -6.688 -11.322   3.440
  407    HD1  PHE  52           HD1      PHE  52  -4.643 -12.292   2.508
  408    HD2  PHE  52           HD2      PHE  52  -6.140  -8.504   1.145
  409    HE1  PHE  52           HE1      PHE  52  -2.478 -11.840   1.385
  410    HE2  PHE  52           HE2      PHE  52  -3.975  -8.052   0.024
  411    HZ   PHE  52           HZ       PHE  52  -2.144  -9.722   0.143
  412    H    GLY  53           H        GLY  53 -10.186 -10.640   1.373
  413    HA2  GLY  53           HA3      GLY  53 -12.257 -11.392   2.197
  414    HA3  GLY  53           HA2      GLY  53 -11.460 -12.900   2.656
  415    H    ILE  54           H        ILE  54 -10.312  -9.751   3.678
  416    HA   ILE  54           HA       ILE  54 -10.971 -10.530   6.480
  417    HB   ILE  54           HB       ILE  54  -9.121  -9.031   7.120
  418   HG12  ILE  54          HG13      ILE  54  -8.856  -8.639   4.121
  419   HG13  ILE  54          HG12      ILE  54  -9.363  -7.410   5.281
  420   HG21  ILE  54          HG21      ILE  54  -7.288 -10.367   6.138
  421   HG22  ILE  54          HG22      ILE  54  -8.396 -10.980   4.912
  422   HG23  ILE  54          HG23      ILE  54  -8.639 -11.398   6.608
  423   HD11  ILE  54          HD11      ILE  54  -7.178  -7.612   6.431
  424   HD12  ILE  54          HD12      ILE  54  -6.983  -7.141   4.744
  425   HD13  ILE  54          HD13      ILE  54  -6.671  -8.806   5.236
  426    H    ALA  55           H        ALA  55 -11.790  -8.867   7.914
  427    HA   ALA  55           HA       ALA  55 -13.291  -6.761   6.437
  428    HB1  ALA  55           HB1      ALA  55 -13.791  -7.231   9.330
  429    HB2  ALA  55           HB2      ALA  55 -14.225  -8.545   8.237
  430    HB3  ALA  55           HB3      ALA  55 -14.938  -6.946   8.022
  431    H    ALA  56           H        ALA  56 -12.764  -4.638   6.708
  432    HA   ALA  56           HA       ALA  56 -10.387  -3.894   8.154
  433    HB1  ALA  56           HB1      ALA  56 -12.409  -2.558   6.482
  434    HB2  ALA  56           HB2      ALA  56 -10.667  -2.291   6.570
  435    HB3  ALA  56           HB3      ALA  56 -11.737  -1.527   7.747
  436    H    ASP  57           H        ASP  57 -13.785  -3.995   8.979
  437    HA   ASP  57           HA       ASP  57 -13.870  -2.206  11.148
  438    HB2  ASP  57           HB3      ASP  57 -15.277  -4.844  10.734
  439    HB3  ASP  57           HB2      ASP  57 -15.680  -3.717  12.023
  440    H    ASP  58           H        ASP  58 -12.620  -5.505  10.992
  441    HA   ASP  58           HA       ASP  58 -12.349  -6.070  13.727
  442    HB2  ASP  58           HB3      ASP  58 -11.790  -7.610  11.805
  443    HB3  ASP  58           HB2      ASP  58 -10.275  -6.726  11.636
  444    H    VAL  59           H        VAL  59 -10.298  -4.056  11.660
  445    HA   VAL  59           HA       VAL  59  -8.963  -3.064  14.144
  446    HB   VAL  59           HB       VAL  59  -7.456  -4.620  12.895
  447   HG11  VAL  59          HG11      VAL  59  -7.307  -2.541  10.729
  448   HG12  VAL  59          HG12      VAL  59  -8.535  -3.805  10.646
  449   HG13  VAL  59          HG13      VAL  59  -6.825  -4.236  10.675
  450   HG21  VAL  59          HG21      VAL  59  -6.613  -2.644  14.216
  451   HG22  VAL  59          HG22      VAL  59  -6.573  -1.724  12.712
  452   HG23  VAL  59          HG23      VAL  59  -5.538  -3.138  12.908
  453    H    GLU  60           H        GLU  60  -8.567  -0.829  14.160
  454    HA   GLU  60           HA       GLU  60 -10.024   0.706  12.100
  455    HB2  GLU  60           HB3      GLU  60 -10.269   1.227  14.540
  456    HB3  GLU  60           HB2      GLU  60  -8.575   1.705  14.569
  457    HG2  GLU  60           HG3      GLU  60  -9.058   3.377  12.796
  458    HG3  GLU  60           HG2      GLU  60 -10.761   2.947  12.895
  459    H    LEU  61           H        LEU  61  -9.019   1.920  10.532
  460    HA   LEU  61           HA       LEU  61  -6.071   1.732  10.385
  461    HB2  LEU  61           HB3      LEU  61  -8.070   2.695   8.321
  462    HB3  LEU  61           HB2      LEU  61  -6.366   2.359   8.050
  463    HG   LEU  61           HG       LEU  61  -8.446   0.343   8.901
  464   HD11  LEU  61          HD11      LEU  61  -6.835   0.307   6.361
  465   HD12  LEU  61          HD12      LEU  61  -8.326   1.241   6.459
  466   HD13  LEU  61          HD13      LEU  61  -8.361  -0.503   6.712
  467   HD21  LEU  61          HD21      LEU  61  -5.464   0.292   8.715
  468   HD22  LEU  61          HD22      LEU  61  -6.344  -1.153   8.220
  469   HD23  LEU  61          HD23      LEU  61  -6.527  -0.527   9.859
  470    H    SER  62           H        SER  62  -4.769   3.534  10.498
  471    HA   SER  62           HA       SER  62  -6.126   6.142  10.994
  472    HB2  SER  62           HB3      SER  62  -4.858   6.123  12.868
  473    HB3  SER  62           HB2      SER  62  -3.912   4.753  12.295
  474    HG   SER  62           HG       SER  62  -2.461   6.083  11.495
  475    HA   PRO  63           HA       PRO  63  -4.426   7.916   7.355
  476    HB2  PRO  63           HB2      PRO  63  -3.169  10.190   8.460
  477    HB3  PRO  63           HB3      PRO  63  -4.841  10.090   7.885
  478    HG2  PRO  63           HG3      PRO  63  -3.777   9.958  10.639
  479    HG3  PRO  63           HG2      PRO  63  -5.336  10.559  10.052
  480    HD2  PRO  63           HD3      PRO  63  -5.096   8.180  11.343
  481    HD3  PRO  63           HD2      PRO  63  -6.312   8.454  10.075
  482    H    GLU  64           H        GLU  64  -2.339   7.351  10.097
  483    HA   GLU  64           HA       GLU  64   0.168   7.856   8.772
  484    HB2  GLU  64           HB3      GLU  64  -0.509   6.153  11.174
  485    HB3  GLU  64           HB2      GLU  64   1.122   6.563  10.671
  486    HG2  GLU  64           HG3      GLU  64   0.562   8.964  10.901
  487    HG3  GLU  64           HG2      GLU  64  -1.035   8.512  11.486
  488    H    HIS  65           H        HIS  65  -2.032   5.152   8.914
  489    HA   HIS  65           HA       HIS  65  -0.196   3.129   8.055
  490    HB2  HIS  65           HB3      HIS  65  -2.150   2.171   8.819
  491    HB3  HIS  65           HB2      HIS  65  -3.159   3.443   8.139
  492    HD1  HIS  65           HD1      HIS  65  -2.095   0.028   7.525
  493    HD2  HIS  65           HD2      HIS  65  -3.308   3.235   5.153
  494    HE1  HIS  65           HE1      HIS  65  -2.767  -0.947   5.283
  495    HE2  HIS  65           HE2      HIS  65  -3.502   0.997   3.833
  496    H    PHE  66           H        PHE  66  -1.653   5.778   6.461
  497    HA   PHE  66           HA       PHE  66  -1.170   4.596   3.785
  498    HB2  PHE  66           HB3      PHE  66  -2.344   7.307   4.453
  499    HB3  PHE  66           HB2      PHE  66  -2.425   6.460   2.911
  500    HD1  PHE  66           HD1      PHE  66  -3.374   6.088   6.512
  501    HD2  PHE  66           HD2      PHE  66  -4.244   5.046   2.439
  502    HE1  PHE  66           HE1      PHE  66  -5.452   4.948   7.250
  503    HE2  PHE  66           HE2      PHE  66  -6.320   3.907   3.175
  504    HZ   PHE  66           HZ       PHE  66  -6.922   3.864   5.581
  505    H    ARG  67           H        ARG  67   0.769   5.714   5.935
  506    HA   ARG  67           HA       ARG  67   2.050   8.047   5.130
  507    HB2  ARG  67           HB3      ARG  67   4.066   7.075   6.147
  508    HB3  ARG  67           HB2      ARG  67   2.645   6.705   7.119
  509    HG2  ARG  67           HG3      ARG  67   2.638   4.585   5.430
  510    HG3  ARG  67           HG2      ARG  67   4.368   4.898   5.522
  511    HD2  ARG  67           HD3      ARG  67   3.776   5.061   8.144
  512    HD3  ARG  67           HD2      ARG  67   2.485   3.975   7.634
  513    HE   ARG  67           HE       ARG  67   4.999   3.086   6.563
  514   HH11  ARG  67          HH22      ARG  67   3.122   3.341   9.443
  515   HH12  ARG  67          HH21      ARG  67   3.835   1.951  10.190
  516   HH21  ARG  67          HH11      ARG  67   5.941   1.268   7.521
  517   HH22  ARG  67          HH12      ARG  67   5.431   0.777   9.102
  518    H    SER  68           H        SER  68   2.406   4.783   3.723
  519    HA   SER  68           HA       SER  68   3.297   5.952   1.215
  520    HB2  SER  68           HB3      SER  68   5.518   5.019   1.159
  521    HB3  SER  68           HB2      SER  68   5.381   5.964   2.638
  522    HG   SER  68           HG       SER  68   5.530   4.190   3.775
  523    H    ILE  69           H        ILE  69   3.549   4.292  -0.464
  524    HA   ILE  69           HA       ILE  69   1.609   2.239  -0.364
  525    HB   ILE  69           HB       ILE  69   4.104   2.300  -2.086
  526   HG12  ILE  69          HG13      ILE  69   2.048   3.351  -3.581
  527   HG13  ILE  69          HG12      ILE  69   1.721   4.030  -1.991
  528   HG21  ILE  69          HG21      ILE  69   3.182   0.532  -3.116
  529   HG22  ILE  69          HG22      ILE  69   1.683   1.430  -3.364
  530   HG23  ILE  69          HG23      ILE  69   1.923   0.508  -1.881
  531   HD11  ILE  69          HD11      ILE  69   4.112   4.415  -3.759
  532   HD12  ILE  69          HD12      ILE  69   4.311   4.548  -2.013
  533   HD13  ILE  69          HD13      ILE  69   3.189   5.614  -2.854
  534    H    ARG  70           H        ARG  70   5.033   2.309   0.403
  535    HA   ARG  70           HA       ARG  70   5.568  -0.460   0.642
  536    HB2  ARG  70           HB3      ARG  70   6.614   1.793   2.389
  537    HB3  ARG  70           HB2      ARG  70   7.381   0.225   2.144
  538    HG2  ARG  70           HG3      ARG  70   8.140   0.768   0.046
  539    HG3  ARG  70           HG2      ARG  70   6.756   1.806  -0.302
  540    HD2  ARG  70           HD3      ARG  70   8.766   3.180  -0.047
  541    HD3  ARG  70           HD2      ARG  70   7.656   3.502   1.284
  542    HE   ARG  70           HE       ARG  70   9.317   1.499   2.255
  543   HH11  ARG  70          HH22      ARG  70   9.704   4.604   0.807
  544   HH12  ARG  70          HH21      ARG  70  11.170   4.963   1.654
  545   HH21  ARG  70          HH11      ARG  70  11.230   1.951   3.371
  546   HH22  ARG  70          HH12      ARG  70  12.034   3.462   3.107
  547    H    SER  71           H        SER  71   4.161   1.839   2.948
  548    HA   SER  71           HA       SER  71   4.005   0.051   5.176
  549    HB2  SER  71           HB3      SER  71   3.674   2.560   5.235
  550    HB3  SER  71           HB2      SER  71   2.080   2.301   4.534
  551    HG   SER  71           HG       SER  71   1.407   1.409   6.361
  552    H    ILE  72           H        ILE  72   1.790   0.698   2.475
  553    HA   ILE  72           HA       ILE  72  -0.431  -0.791   3.409
  554    HB   ILE  72           HB       ILE  72   0.533  -0.531   0.551
  555   HG12  ILE  72          HG13      ILE  72   0.437   1.683   1.508
  556   HG13  ILE  72          HG12      ILE  72  -1.004   1.466   0.515
  557   HG21  ILE  72          HG21      ILE  72  -1.730  -1.780   1.772
  558   HG22  ILE  72          HG22      ILE  72  -1.334  -1.663   0.058
  559   HG23  ILE  72          HG23      ILE  72  -2.283  -0.395   0.832
  560   HD11  ILE  72          HD11      ILE  72  -1.889   2.353   2.489
  561   HD12  ILE  72          HD12      ILE  72  -0.754   1.467   3.506
  562   HD13  ILE  72          HD13      ILE  72  -2.088   0.619   2.728
  563    H    ASP  73           H        ASP  73   2.368  -1.826   1.442
  564    HA   ASP  73           HA       ASP  73   1.573  -4.544   1.144
  565    HB2  ASP  73           HB3      ASP  73   3.513  -3.379  -0.015
  566    HB3  ASP  73           HB2      ASP  73   4.421  -3.573   1.481
  567    H    ALA  74           H        ALA  74   3.469  -2.930   3.676
  568    HA   ALA  74           HA       ALA  74   4.000  -5.297   5.203
  569    HB1  ALA  74           HB1      ALA  74   5.185  -3.856   6.472
  570    HB2  ALA  74           HB2      ALA  74   3.757  -2.873   6.799
  571    HB3  ALA  74           HB3      ALA  74   4.698  -2.601   5.331
  572    H    PHE  75           H        PHE  75   1.397  -2.884   5.332
  573    HA   PHE  75           HA       PHE  75   0.118  -3.892   7.675
  574    HB2  PHE  75           HB3      PHE  75  -0.409  -1.700   6.599
  575    HB3  PHE  75           HB2      PHE  75  -1.195  -2.581   5.291
  576    HD1  PHE  75           HD1      PHE  75  -1.319  -1.830   8.917
  577    HD2  PHE  75           HD2      PHE  75  -3.357  -3.597   5.574
  578    HE1  PHE  75           HE1      PHE  75  -3.391  -2.001  10.271
  579    HE2  PHE  75           HE2      PHE  75  -5.429  -3.767   6.928
  580    HZ   PHE  75           HZ       PHE  75  -5.445  -2.970   9.276
  581    H    VAL  76           H        VAL  76  -0.417  -4.630   4.222
  582    HA   VAL  76           HA       VAL  76  -2.523  -6.506   4.610
  583    HB   VAL  76           HB       VAL  76  -0.410  -6.236   2.456
  584   HG11  VAL  76          HG11      VAL  76  -2.834  -8.035   2.634
  585   HG12  VAL  76          HG12      VAL  76  -1.154  -8.518   2.404
  586   HG13  VAL  76          HG13      VAL  76  -2.009  -7.663   1.122
  587   HG21  VAL  76          HG21      VAL  76  -2.386  -4.523   2.999
  588   HG22  VAL  76          HG22      VAL  76  -3.329  -5.701   2.087
  589   HG23  VAL  76          HG23      VAL  76  -1.941  -4.911   1.337
  590    H    VAL  77           H        VAL  77   1.012  -6.964   4.361
  591    HA   VAL  77           HA       VAL  77   0.912  -9.811   4.748
  592    HB   VAL  77           HB       VAL  77   3.102  -7.749   5.097
  593   HG11  VAL  77          HG11      VAL  77   3.944  -9.398   6.469
  594   HG12  VAL  77          HG12      VAL  77   4.470 -10.031   4.909
  595   HG13  VAL  77          HG13      VAL  77   3.020 -10.674   5.679
  596   HG21  VAL  77          HG21      VAL  77   3.485  -8.081   2.894
  597   HG22  VAL  77          HG22      VAL  77   1.934  -8.919   2.839
  598   HG23  VAL  77          HG23      VAL  77   3.422  -9.833   3.082
  599    H    GLY  78           H        GLY  78   1.427  -7.055   6.926
  600    HA2  GLY  78           HA3      GLY  78   1.983  -8.490   9.303
  601    HA3  GLY  78           HA2      GLY  78   1.256  -6.890   9.251
  602    H    ALA  79           H        ALA  79  -1.060  -7.843   7.677
  603    HA   ALA  79           HA       ALA  79  -2.777  -8.494   9.883
  604    HB1  ALA  79           HB1      ALA  79  -3.965  -7.392   8.254
  605    HB2  ALA  79           HB2      ALA  79  -4.358  -9.050   7.801
  606    HB3  ALA  79           HB3      ALA  79  -3.093  -8.177   6.938
  607    H    THR  80           H        THR  80  -1.460 -10.492   7.233
  608    HA   THR  80           HA       THR  80  -2.749 -12.859   8.488
  609    HB   THR  80           HB       THR  80  -2.379 -13.999   6.411
  610    HG1  THR  80           HG1      THR  80  -1.271 -12.399   4.792
  611   HG21  THR  80          HG21      THR  80  -4.075 -11.974   6.611
  612   HG22  THR  80          HG22      THR  80  -3.812 -12.773   5.061
  613   HG23  THR  80          HG23      THR  80  -3.005 -11.246   5.414
  614    H    THR  81           H        THR  81   0.427 -11.569   7.648
  615    HA   THR  81           HA       THR  81   1.614 -13.739   9.304
  616    HB   THR  81           HB       THR  81   3.581 -13.168   7.491
  617    HG1  THR  81           HG1      THR  81   1.069 -13.104   6.187
  618   HG21  THR  81          HG21      THR  81   1.400 -15.252   7.239
  619   HG22  THR  81          HG22      THR  81   2.843 -15.402   8.241
  620   HG23  THR  81          HG23      THR  81   2.992 -15.338   6.484
  621    HA   PRO  82           HA       PRO  82   3.705 -10.642  11.665
  622    HB2  PRO  82           HB2      PRO  82   6.271 -11.945  10.906
  623    HB3  PRO  82           HB3      PRO  82   5.646 -11.544  12.514
  624    HG2  PRO  82           HG3      PRO  82   5.657 -14.053  11.498
  625    HG3  PRO  82           HG2      PRO  82   4.481 -13.479  12.688
  626    HD2  PRO  82           HD3      PRO  82   4.065 -14.139   9.852
  627    HD3  PRO  82           HD2      PRO  82   2.869 -13.936  11.151
  628    HA   PRO  83           HA       PRO  83   4.916  -7.740   8.493
  629    HB2  PRO  83           HB2      PRO  83   6.262  -5.916  10.100
  630    HB3  PRO  83           HB3      PRO  83   4.516  -5.942   9.811
  631    HG2  PRO  83           HG3      PRO  83   6.061  -6.877  12.146
  632    HG3  PRO  83           HG2      PRO  83   4.416  -6.229  12.062
  633    HD2  PRO  83           HD3      PRO  83   4.988  -8.898  12.395
  634    HD3  PRO  83           HD2      PRO  83   3.481  -8.295  11.673
  635    H    VAL  84           H        VAL  84   6.710  -7.275   7.227
  636    HA   VAL  84           HA       VAL  84   9.262  -8.552   8.102
  637    HB   VAL  84           HB       VAL  84   8.393  -7.705   5.320
  638   HG11  VAL  84          HG11      VAL  84  10.724  -7.799   5.239
  639   HG12  VAL  84          HG12      VAL  84  10.295  -9.463   4.842
  640   HG13  VAL  84          HG13      VAL  84  10.817  -9.052   6.477
  641   HG21  VAL  84          HG21      VAL  84   6.978  -9.519   6.165
  642   HG22  VAL  84          HG22      VAL  84   8.406 -10.424   6.671
  643   HG23  VAL  84          HG23      VAL  84   8.096 -10.154   4.956
  644    H    GLU  85           H        GLU  85  10.997  -7.261   8.527
  645    HA   GLU  85           HA       GLU  85  12.053  -5.195   9.031
  646    HB2  GLU  85           HB3      GLU  85  11.559  -5.007   6.044
  647    HB3  GLU  85           HB2      GLU  85  12.733  -4.042   6.939
  648    HG2  GLU  85           HG3      GLU  85  13.859  -6.135   7.671
  649    HG3  GLU  85           HG2      GLU  85  12.721  -7.066   6.696
  650    H    ALA  86           H        ALA  86   9.443  -4.888   9.812
  651    HA   ALA  86           HA       ALA  86   7.880  -2.915   8.556
  652    HB1  ALA  86           HB1      ALA  86   8.061  -4.103  11.201
  653    HB2  ALA  86           HB2      ALA  86   6.645  -3.475  10.358
  654    HB3  ALA  86           HB3      ALA  86   7.661  -2.388  11.305
  655    H    LYS  87           H        LYS  87   7.874  -0.648   8.622
  656    HA   LYS  87           HA       LYS  87  10.369   0.694   8.753
  657    HB2  LYS  87           HB3      LYS  87   7.565   1.812   9.046
  658    HB3  LYS  87           HB2      LYS  87   9.008   2.785   8.764
  659    HG2  LYS  87           HG3      LYS  87   9.420   1.493   6.666
  660    HG3  LYS  87           HG2      LYS  87   7.899   0.639   6.931
  661    HD2  LYS  87           HD3      LYS  87   6.717   2.844   6.934
  662    HD3  LYS  87           HD2      LYS  87   8.245   3.623   6.521
  663    HE2  LYS  87           HE3      LYS  87   6.376   2.262   4.784
  664    HE3  LYS  87           HE2      LYS  87   7.801   3.210   4.354
  665    HZ1  LYS  87           HZ1      LYS  87   9.139   1.200   4.944
  666    HZ2  LYS  87           HZ2      LYS  87   8.162   1.028   3.569
  667    HZ3  LYS  87           HZ3      LYS  87   7.683   0.330   5.041
  668    H    LEU  88           H        LEU  88   7.892   0.168  11.217
  669    HA   LEU  88           HA       LEU  88   8.862   1.992  13.174
  670    HB2  LEU  88           HB3      LEU  88   7.461  -0.680  13.478
  671    HB3  LEU  88           HB2      LEU  88   7.766   0.422  14.819
  672    HG   LEU  88           HG       LEU  88   6.544   2.211  13.526
  673   HD11  LEU  88          HD11      LEU  88   6.532   1.568  11.287
  674   HD12  LEU  88          HD12      LEU  88   4.917   1.069  11.789
  675   HD13  LEU  88          HD13      LEU  88   6.208  -0.124  11.667
  676   HD21  LEU  88          HD21      LEU  88   4.986   1.509  15.010
  677   HD22  LEU  88          HD22      LEU  88   5.452  -0.179  14.809
  678   HD23  LEU  88          HD23      LEU  88   4.308   0.559  13.689
  679    H    GLN  89           H        GLN  89   9.882  -1.286  12.322
  680    HA   GLN  89           HA       GLN  89  11.974  -1.151  14.443
  681    HB2  GLN  89           HB3      GLN  89  11.008  -3.465  12.733
  682    HB3  GLN  89           HB2      GLN  89  12.294  -3.573  13.937
  683    HG2  GLN  89           HG3      GLN  89  10.730  -2.890  15.702
  684    HG3  GLN  89           HG2      GLN  89   9.439  -2.723  14.510
  685   HE21  GLN  89          HE22      GLN  89   9.160  -4.550  16.679
  686   HE22  GLN  89          HE21      GLN  89   9.198  -6.132  16.066
  Start of MODEL    2
    1    H1   SER  -1           H1       SER  -1  13.946  -9.428  -4.850
    2    H2   SER  -1           H2       SER  -1  13.871  -9.043  -3.197
    3    H3   SER  -1           H3       SER  -1  12.904  -8.203  -4.313
    4    HA   SER  -1           HA       SER  -1  12.240 -10.821  -4.720
    5    HB2  SER  -1           HB3      SER  -1  12.100 -10.317  -1.757
    6    HB3  SER  -1           HB2      SER  -1  11.943 -11.840  -2.628
    7    HG   SER  -1           HG       SER  -1  14.056 -12.015  -2.710
    8    H    GLU   0           H        GLU   0  10.050 -10.723  -5.067
    9    HA   GLU   0           HA       GLU   0   8.645  -8.265  -4.902
   10    HB2  GLU   0           HB3      GLU   0   7.538 -11.089  -4.995
   11    HB3  GLU   0           HB2      GLU   0   6.611  -9.625  -5.324
   12    HG2  GLU   0           HG3      GLU   0   8.179  -9.073  -7.173
   13    HG3  GLU   0           HG2      GLU   0   9.036 -10.586  -6.872
   14    H    MET   1           H        MET   1   7.187  -7.446  -3.367
   15    HA   MET   1           HA       MET   1   7.463  -8.593  -0.654
   16    HB2  MET   1           HB3      MET   1   6.123  -6.031  -1.577
   17    HB3  MET   1           HB2      MET   1   6.430  -6.494   0.097
   18    HG2  MET   1           HG3      MET   1   8.868  -6.574  -0.407
   19    HG3  MET   1           HG2      MET   1   8.519  -6.004  -2.038
   20    HE1  MET   1           HE1      MET   1  10.548  -4.586  -0.261
   21    HE2  MET   1           HE2      MET   1  10.123  -2.881  -0.460
   22    HE3  MET   1           HE3      MET   1  10.072  -3.972  -1.842
   23    H    GLN   2           H        GLN   2   6.070 -10.424  -1.780
   24    HA   GLN   2           HA       GLN   2   4.027 -11.568  -1.806
   25    HB2  GLN   2           HB3      GLN   2   3.151  -9.385   0.111
   26    HB3  GLN   2           HB2      GLN   2   2.384 -10.956  -0.112
   27    HG2  GLN   2           HG3      GLN   2   5.229 -10.523   0.841
   28    HG3  GLN   2           HG2      GLN   2   3.863 -10.954   1.871
   29   HE21  GLN   2          HE22      GLN   2   6.475 -12.405   0.665
   30   HE22  GLN   2          HE21      GLN   2   5.858 -13.939   0.280
   31    H    HIS   3           H        HIS   3   4.341 -10.089  -4.010
   32    HA   HIS   3           HA       HIS   3   3.018  -9.336  -5.808
   33    HB2  HIS   3           HB3      HIS   3   0.671  -8.877  -3.985
   34    HB3  HIS   3           HB2      HIS   3   0.690  -9.355  -5.678
   35    HD1  HIS   3           HD1      HIS   3   1.807 -11.854  -6.097
   36    HD2  HIS   3           HD2      HIS   3   0.346 -11.038  -2.275
   37    HE1  HIS   3           HE1      HIS   3   1.499 -14.094  -4.952
   38    HE2  HIS   3           HE2      HIS   3   0.612 -13.607  -2.626
   39    H    ALA   4           H        ALA   4   4.706  -7.609  -4.427
   40    HA   ALA   4           HA       ALA   4   3.485  -5.213  -3.479
   41    HB1  ALA   4           HB1      ALA   4   5.630  -4.542  -3.235
   42    HB2  ALA   4           HB2      ALA   4   5.964  -4.753  -4.954
   43    HB3  ALA   4           HB3      ALA   4   6.091  -6.127  -3.857
   44    H    SER   5           H        SER   5   4.437  -6.239  -6.748
   45    HA   SER   5           HA       SER   5   3.870  -3.761  -8.054
   46    HB2  SER   5           HB3      SER   5   3.862  -5.045 -10.109
   47    HB3  SER   5           HB2      SER   5   5.122  -5.695  -9.064
   48    HG   SER   5           HG       SER   5   2.470  -6.702  -9.205
   49    H    VAL   6           H        VAL   6   1.813  -6.479  -7.127
   50    HA   VAL   6           HA       VAL   6  -0.497  -5.734  -8.627
   51    HB   VAL   6           HB       VAL   6  -0.193  -7.205  -6.010
   52   HG11  VAL   6          HG11      VAL   6  -2.403  -6.520  -5.834
   53   HG12  VAL   6          HG12      VAL   6  -2.597  -7.995  -6.782
   54   HG13  VAL   6          HG13      VAL   6  -2.619  -6.423  -7.582
   55   HG21  VAL   6          HG21      VAL   6   0.744  -8.387  -7.910
   56   HG22  VAL   6          HG22      VAL   6  -0.696  -8.060  -8.874
   57   HG23  VAL   6          HG23      VAL   6  -0.790  -9.152  -7.493
   58    H    ILE   7           H        ILE   7   0.543  -4.876  -5.342
   59    HA   ILE   7           HA       ILE   7  -1.711  -3.279  -4.646
   60    HB   ILE   7           HB       ILE   7   1.191  -2.918  -3.830
   61   HG12  ILE   7          HG13      ILE   7  -1.004  -4.415  -2.375
   62   HG13  ILE   7          HG12      ILE   7   0.135  -5.213  -3.461
   63   HG21  ILE   7          HG21      ILE   7  -0.272  -0.982  -3.315
   64   HG22  ILE   7          HG22      ILE   7   0.244  -1.815  -1.849
   65   HG23  ILE   7          HG23      ILE   7  -1.387  -2.062  -2.476
   66   HD11  ILE   7          HD11      ILE   7   0.748  -3.729  -0.899
   67   HD12  ILE   7          HD12      ILE   7   1.995  -4.145  -2.075
   68   HD13  ILE   7          HD13      ILE   7   1.075  -5.421  -1.277
   69    H    ALA   8           H        ALA   8   1.316  -2.499  -6.321
   70    HA   ALA   8           HA       ALA   8   0.920   0.309  -6.526
   71    HB1  ALA   8           HB1      ALA   8   2.209  -1.203  -8.766
   72    HB2  ALA   8           HB2      ALA   8   2.959  -1.260  -7.170
   73    HB3  ALA   8           HB3      ALA   8   2.726   0.290  -7.980
   74    H    GLN   9           H        GLN   9  -0.189  -2.372  -8.584
   75    HA   GLN   9           HA       GLN   9  -1.258  -0.755 -10.685
   76    HB2  GLN   9           HB3      GLN   9  -2.079  -3.499  -9.696
   77    HB3  GLN   9           HB2      GLN   9  -2.679  -2.763 -11.182
   78    HG2  GLN   9           HG3      GLN   9  -0.344  -2.569 -12.004
   79    HG3  GLN   9           HG2      GLN   9   0.221  -3.375 -10.543
   80   HE21  GLN   9          HE22      GLN   9  -0.128  -5.670 -10.350
   81   HE22  GLN   9          HE21      GLN   9  -0.721  -6.609 -11.633
   82    H    PHE  10           H        PHE  10  -2.715  -1.958  -7.667
   83    HA   PHE  10           HA       PHE  10  -5.359  -1.048  -8.223
   84    HB2  PHE  10           HB3      PHE  10  -3.860  -1.618  -5.682
   85    HB3  PHE  10           HB2      PHE  10  -5.475  -0.915  -5.618
   86    HD1  PHE  10           HD1      PHE  10  -7.365  -2.100  -6.864
   87    HD2  PHE  10           HD2      PHE  10  -3.566  -3.939  -6.061
   88    HE1  PHE  10           HE1      PHE  10  -8.373  -4.337  -7.220
   89    HE2  PHE  10           HE2      PHE  10  -4.577  -6.176  -6.420
   90    HZ   PHE  10           HZ       PHE  10  -6.979  -6.374  -6.993
   91    H    VAL  11           H        VAL  11  -2.750   0.597  -6.399
   92    HA   VAL  11           HA       VAL  11  -4.294   2.987  -6.002
   93    HB   VAL  11           HB       VAL  11  -2.073   4.039  -5.522
   94   HG11  VAL  11          HG11      VAL  11  -2.369   3.163  -3.473
   95   HG12  VAL  11          HG12      VAL  11  -1.630   1.652  -4.003
   96   HG13  VAL  11          HG13      VAL  11  -3.368   1.890  -4.175
   97   HG21  VAL  11          HG21      VAL  11  -0.694   2.879  -7.140
   98   HG22  VAL  11          HG22      VAL  11  -1.095   1.321  -6.422
   99   HG23  VAL  11          HG23      VAL  11  -0.101   2.472  -5.530
  100    H    VAL  12           H        VAL  12  -1.957   2.008  -8.502
  101    HA   VAL  12           HA       VAL  12  -1.966   4.496  -9.919
  102    HB   VAL  12           HB       VAL  12  -1.446   1.667 -10.855
  103   HG11  VAL  12          HG11      VAL  12  -0.337   2.762 -12.802
  104   HG12  VAL  12          HG12      VAL  12  -0.974   4.312 -12.257
  105   HG13  VAL  12          HG13      VAL  12  -2.078   3.038 -12.779
  106   HG21  VAL  12          HG21      VAL  12   0.786   3.520 -10.820
  107   HG22  VAL  12          HG22      VAL  12   0.625   1.963 -10.009
  108   HG23  VAL  12          HG23      VAL  12   0.026   3.427  -9.232
  109    H    GLU  13           H        GLU  13  -3.923   1.532 -10.312
  110    HA   GLU  13           HA       GLU  13  -5.469   2.601 -12.505
  111    HB2  GLU  13           HB3      GLU  13  -5.918   0.285 -10.630
  112    HB3  GLU  13           HB2      GLU  13  -6.982   0.659 -11.976
  113    HG2  GLU  13           HG3      GLU  13  -5.058   0.496 -13.525
  114    HG3  GLU  13           HG2      GLU  13  -4.033   0.043 -12.169
  115    H    GLU  14           H        GLU  14  -5.671   2.854  -9.060
  116    HA   GLU  14           HA       GLU  14  -8.457   3.425  -8.814
  117    HB2  GLU  14           HB3      GLU  14  -6.903   2.931  -6.908
  118    HB3  GLU  14           HB2      GLU  14  -6.215   4.542  -7.110
  119    HG2  GLU  14           HG3      GLU  14  -8.494   5.513  -6.777
  120    HG3  GLU  14           HG2      GLU  14  -9.104   3.889  -6.458
  121    H    PHE  15           H        PHE  15  -5.738   5.459  -9.790
  122    HA   PHE  15           HA       PHE  15  -7.725   7.608 -10.360
  123    HB2  PHE  15           HB3      PHE  15  -6.547   8.103  -8.209
  124    HB3  PHE  15           HB2      PHE  15  -5.020   8.113  -9.093
  125    HD1  PHE  15           HD2      PHE  15  -8.388   9.719  -8.950
  126    HD2  PHE  15           HD1      PHE  15  -4.316  10.035 -10.276
  127    HE1  PHE  15           HE2      PHE  15  -8.787  12.075  -9.616
  128    HE2  PHE  15           HE1      PHE  15  -4.715  12.389 -10.945
  129    HZ   PHE  15           HZ       PHE  15  -6.950  13.410 -10.614
  130    H    LEU  16           H        LEU  16  -4.399   6.428 -10.944
  131    HA   LEU  16           HA       LEU  16  -4.553   7.740 -13.631
  132    HB2  LEU  16           HB3      LEU  16  -2.379   7.524 -11.618
  133    HB3  LEU  16           HB2      LEU  16  -1.914   7.386 -13.312
  134    HG   LEU  16           HG       LEU  16  -3.755   9.593 -12.439
  135   HD11  LEU  16          HD11      LEU  16  -1.767   9.659 -10.942
  136   HD12  LEU  16          HD12      LEU  16  -1.815  11.037 -12.042
  137   HD13  LEU  16          HD13      LEU  16  -0.723   9.690 -12.363
  138   HD21  LEU  16          HD21      LEU  16  -3.310  10.451 -14.509
  139   HD22  LEU  16          HD22      LEU  16  -2.854   8.789 -14.882
  140   HD23  LEU  16          HD23      LEU  16  -1.615   9.968 -14.454
  141    HA   PRO  17           HA       PRO  17  -4.191   3.163 -14.295
  142    HB2  PRO  17           HB2      PRO  17  -6.079   3.014 -16.277
  143    HB3  PRO  17           HB3      PRO  17  -6.452   2.857 -14.552
  144    HG2  PRO  17           HG3      PRO  17  -6.876   5.141 -16.374
  145    HG3  PRO  17           HG2      PRO  17  -7.808   4.630 -14.962
  146    HD2  PRO  17           HD3      PRO  17  -5.998   6.745 -15.007
  147    HD3  PRO  17           HD2      PRO  17  -6.572   5.925 -13.542
  148    H    ASP  18           H        ASP  18  -3.862   5.958 -16.277
  149    HA   ASP  18           HA       ASP  18  -2.811   4.442 -18.577
  150    HB2  ASP  18           HB3      ASP  18  -3.178   7.392 -18.055
  151    HB3  ASP  18           HB2      ASP  18  -2.495   6.740 -19.539
  152    H    VAL  19           H        VAL  19  -1.551   5.052 -15.679
  153    HA   VAL  19           HA       VAL  19   1.126   5.867 -16.738
  154    HB   VAL  19           HB       VAL  19   0.102   5.932 -13.884
  155   HG11  VAL  19          HG11      VAL  19   2.734   6.310 -15.154
  156   HG12  VAL  19          HG12      VAL  19   2.337   5.968 -13.470
  157   HG13  VAL  19          HG13      VAL  19   2.260   7.622 -14.075
  158   HG21  VAL  19          HG21      VAL  19  -0.999   7.569 -15.432
  159   HG22  VAL  19          HG22      VAL  19   0.596   8.209 -15.828
  160   HG23  VAL  19          HG23      VAL  19  -0.026   8.348 -14.184
  161    H    ALA  20           H        ALA  20   2.811   4.437 -16.554
  162    HA   ALA  20           HA       ALA  20   2.243   1.688 -15.872
  163    HB1  ALA  20           HB1      ALA  20   4.187   3.007 -17.345
  164    HB2  ALA  20           HB2      ALA  20   4.171   1.283 -16.975
  165    HB3  ALA  20           HB3      ALA  20   5.076   2.398 -15.949
  166    HA   PRO  21           HA       PRO  21   2.795   2.349 -11.400
  167    HB2  PRO  21           HB2      PRO  21   3.305  -0.583 -11.451
  168    HB3  PRO  21           HB3      PRO  21   2.178   0.347 -10.450
  169    HG2  PRO  21           HG3      PRO  21   1.373  -1.158 -12.520
  170    HG3  PRO  21           HG2      PRO  21   0.544   0.330 -12.034
  171    HD2  PRO  21           HD3      PRO  21   2.251  -0.171 -14.408
  172    HD3  PRO  21           HD2      PRO  21   0.965   1.032 -14.165
  173    H    ALA  22           H        ALA  22   5.011   0.607 -13.507
  174    HA   ALA  22           HA       ALA  22   7.180   0.334 -11.652
  175    HB1  ALA  22           HB1      ALA  22   8.084  -0.733 -13.417
  176    HB2  ALA  22           HB2      ALA  22   8.153   0.779 -14.322
  177    HB3  ALA  22           HB3      ALA  22   6.708  -0.228 -14.397
  178    H    ASP  23           H        ASP  23   5.960   3.021 -13.499
  179    HA   ASP  23           HA       ASP  23   8.393   4.625 -13.201
  180    HB2  ASP  23           HB3      ASP  23   6.803   4.895 -15.125
  181    HB3  ASP  23           HB2      ASP  23   5.605   5.520 -13.991
  182    H    VAL  24           H        VAL  24   6.328   3.580 -10.947
  183    HA   VAL  24           HA       VAL  24   6.059   6.198  -9.545
  184    HB   VAL  24           HB       VAL  24   4.968   3.522  -8.655
  185   HG11  VAL  24          HG11      VAL  24   3.556   6.053  -8.089
  186   HG12  VAL  24          HG12      VAL  24   5.145   5.912  -7.336
  187   HG13  VAL  24          HG13      VAL  24   3.908   4.695  -7.021
  188   HG21  VAL  24          HG21      VAL  24   3.547   5.635 -10.311
  189   HG22  VAL  24          HG22      VAL  24   2.878   4.094  -9.770
  190   HG23  VAL  24          HG23      VAL  24   4.175   4.123 -10.966
  191    H    ASP  25           H        ASP  25   7.336   6.641  -7.784
  192    HA   ASP  25           HA       ASP  25   9.368   4.630  -7.049
  193    HB2  ASP  25           HB3      ASP  25   8.936   7.503  -6.169
  194    HB3  ASP  25           HB2      ASP  25  10.283   6.492  -5.644
  195    H    VAL  26           H        VAL  26   8.961   3.234  -5.397
  196    HA   VAL  26           HA       VAL  26   6.670   3.550  -3.666
  197    HB   VAL  26           HB       VAL  26   7.530   1.539  -2.541
  198   HG11  VAL  26          HG11      VAL  26   6.917   1.790  -5.310
  199   HG12  VAL  26          HG12      VAL  26   6.681   0.384  -4.272
  200   HG13  VAL  26          HG13      VAL  26   8.193   0.582  -5.158
  201   HG21  VAL  26          HG21      VAL  26  10.010   2.296  -4.061
  202   HG22  VAL  26          HG22      VAL  26   9.711   0.602  -3.671
  203   HG23  VAL  26          HG23      VAL  26   9.849   1.793  -2.378
  204    H    ASP  27           H        ASP  27   9.427   5.271  -3.710
  205    HA   ASP  27           HA       ASP  27   9.857   5.320  -0.780
  206    HB2  ASP  27           HB3      ASP  27  11.272   6.678  -3.091
  207    HB3  ASP  27           HB2      ASP  27  11.700   6.916  -1.400
  208    H    LEU  28           H        LEU  28   7.756   6.676  -2.915
  209    HA   LEU  28           HA       LEU  28   7.755   9.354  -1.616
  210    HB2  LEU  28           HB3      LEU  28   7.654   9.240  -4.102
  211    HB3  LEU  28           HB2      LEU  28   6.142   8.346  -3.980
  212    HG   LEU  28           HG       LEU  28   5.178  10.270  -2.685
  213   HD11  LEU  28          HD11      LEU  28   6.727  11.680  -1.811
  214   HD12  LEU  28          HD12      LEU  28   6.767  12.405  -3.418
  215   HD13  LEU  28          HD13      LEU  28   7.959  11.186  -2.972
  216   HD21  LEU  28          HD21      LEU  28   5.533  11.876  -4.863
  217   HD22  LEU  28          HD22      LEU  28   4.420  10.508  -4.825
  218   HD23  LEU  28          HD23      LEU  28   6.029  10.316  -5.520
  219    H    ASP  29           H        ASP  29   6.177   9.882  -0.159
  220    HA   ASP  29           HA       ASP  29   4.461   7.819   0.873
  221    HB2  ASP  29           HB3      ASP  29   4.490  10.818   1.319
  222    HB3  ASP  29           HB2      ASP  29   3.475   9.700   2.229
  223    H    LEU  30           H        LEU  30   2.304   7.410   0.459
  224    HA   LEU  30           HA       LEU  30   1.157   8.302  -2.011
  225    HB2  LEU  30           HB3      LEU  30  -0.050   6.919   0.393
  226    HB3  LEU  30           HB2      LEU  30  -0.939   7.212  -1.102
  227    HG   LEU  30           HG       LEU  30   1.681   5.696  -0.946
  228   HD11  LEU  30          HD11      LEU  30  -0.967   4.891  -0.230
  229   HD12  LEU  30          HD12      LEU  30   0.488   3.901  -0.305
  230   HD13  LEU  30          HD13      LEU  30  -0.535   4.072  -1.731
  231   HD21  LEU  30          HD21      LEU  30   1.637   6.135  -3.175
  232   HD22  LEU  30          HD22      LEU  30  -0.034   6.695  -3.116
  233   HD23  LEU  30          HD23      LEU  30   0.313   4.972  -3.242
  234    H    VAL  31           H        VAL  31   0.616   9.318   1.351
  235    HA   VAL  31           HA       VAL  31  -1.633  10.993   0.767
  236    HB   VAL  31           HB       VAL  31   0.387  11.123   3.017
  237   HG11  VAL  31          HG11      VAL  31  -1.960  12.301   3.875
  238   HG12  VAL  31          HG12      VAL  31  -1.822  12.887   2.216
  239   HG13  VAL  31          HG13      VAL  31  -0.516  13.176   3.365
  240   HG21  VAL  31          HG21      VAL  31  -0.795   9.384   3.832
  241   HG22  VAL  31          HG22      VAL  31  -1.801   9.387   2.383
  242   HG23  VAL  31          HG23      VAL  31  -2.261  10.364   3.779
  243    H    ASP  32           H        ASP  32   1.860  11.659   0.808
  244    HA   ASP  32           HA       ASP  32   1.769  14.465   0.584
  245    HB2  ASP  32           HB3      ASP  32   3.645  12.476  -0.731
  246    HB3  ASP  32           HB2      ASP  32   3.903  14.221  -0.752
  247    H    ASN  33           H        ASN  33   1.158  11.956  -1.785
  248    HA   ASN  33           HA       ASN  33   1.000  13.699  -4.080
  249    HB2  ASN  33           HB3      ASN  33  -0.093  10.948  -3.504
  250    HB3  ASN  33           HB2      ASN  33  -0.237  11.732  -5.072
  251   HD21  ASN  33          HD22      ASN  33   1.248   9.312  -4.802
  252   HD22  ASN  33          HD21      ASN  33   2.894   9.649  -5.042
  253    H    GLY  34           H        GLY  34  -1.320  12.548  -1.679
  254    HA2  GLY  34           HA3      GLY  34  -3.400  13.546  -1.108
  255    HA3  GLY  34           HA2      GLY  34  -3.194  14.673  -2.453
  256    H    VAL  35           H        VAL  35  -2.533  11.623  -3.564
  257    HA   VAL  35           HA       VAL  35  -4.835  11.498  -5.253
  258    HB   VAL  35           HB       VAL  35  -2.852   9.350  -4.441
  259   HG11  VAL  35          HG11      VAL  35  -3.696   8.257  -6.584
  260   HG12  VAL  35          HG12      VAL  35  -5.052   9.382  -6.519
  261   HG13  VAL  35          HG13      VAL  35  -4.811   8.214  -5.219
  262   HG21  VAL  35          HG21      VAL  35  -2.915  10.474  -7.177
  263   HG22  VAL  35          HG22      VAL  35  -1.533  10.103  -6.146
  264   HG23  VAL  35          HG23      VAL  35  -2.424  11.609  -5.920
  265    H    ILE  36           H        ILE  36  -4.112  10.144  -2.083
  266    HA   ILE  36           HA       ILE  36  -6.606   8.574  -2.084
  267    HB   ILE  36           HB       ILE  36  -4.538   9.020   0.092
  268   HG12  ILE  36          HG13      ILE  36  -5.039   6.643  -1.725
  269   HG13  ILE  36          HG12      ILE  36  -3.735   7.806  -1.925
  270   HG21  ILE  36          HG21      ILE  36  -5.637   7.046   1.130
  271   HG22  ILE  36          HG22      ILE  36  -6.868   7.094  -0.129
  272   HG23  ILE  36          HG23      ILE  36  -6.727   8.427   1.016
  273   HD11  ILE  36          HD11      ILE  36  -3.023   5.738  -0.709
  274   HD12  ILE  36          HD12      ILE  36  -4.163   6.148   0.570
  275   HD13  ILE  36          HD13      ILE  36  -2.795   7.208   0.236
  276    H    ASP  37           H        ASP  37  -8.477   9.468  -1.511
  277    HA   ASP  37           HA       ASP  37  -8.465  11.856   0.277
  278    HB2  ASP  37           HB3      ASP  37 -10.363  11.026  -1.936
  279    HB3  ASP  37           HB2      ASP  37 -10.681  12.349  -0.820
  280    H    ALA  38           H        ALA  38 -11.283  11.762   0.762
  281    HA   ALA  38           HA       ALA  38 -11.366   9.847   2.916
  282    HB1  ALA  38           HB1      ALA  38 -13.309  10.897   3.526
  283    HB2  ALA  38           HB2      ALA  38 -13.934  10.910   1.877
  284    HB3  ALA  38           HB3      ALA  38 -12.752  12.118   2.382
  285    H    LEU  39           H        LEU  39 -13.188  10.040  -0.147
  286    HA   LEU  39           HA       LEU  39 -14.315   7.403   0.105
  287    HB2  LEU  39           HB3      LEU  39 -13.820   9.003  -2.419
  288    HB3  LEU  39           HB2      LEU  39 -14.953   7.671  -2.232
  289    HG   LEU  39           HG       LEU  39 -15.084  10.363  -0.869
  290   HD11  LEU  39          HD11      LEU  39 -17.022  10.745  -2.181
  291   HD12  LEU  39          HD12      LEU  39 -17.147   9.044  -2.633
  292   HD13  LEU  39          HD13      LEU  39 -15.858  10.043  -3.305
  293   HD21  LEU  39          HD21      LEU  39 -16.527   7.771  -0.386
  294   HD22  LEU  39          HD22      LEU  39 -17.360   9.300  -0.102
  295   HD23  LEU  39          HD23      LEU  39 -15.886   8.919   0.790
  296    H    GLY  40           H        GLY  40 -11.384   8.778  -1.197
  297    HA2  GLY  40           HA3      GLY  40 -10.440   6.557  -2.680
  298    HA3  GLY  40           HA2      GLY  40  -9.407   7.766  -1.908
  299    H    LEU  41           H        LEU  41 -10.225   7.362   0.763
  300    HA   LEU  41           HA       LEU  41  -8.581   5.136   1.518
  301    HB2  LEU  41           HB3      LEU  41  -8.982   7.144   2.941
  302    HB3  LEU  41           HB2      LEU  41 -10.654   6.627   3.155
  303    HG   LEU  41           HG       LEU  41  -8.647   4.546   3.743
  304   HD11  LEU  41          HD11      LEU  41  -8.945   6.974   5.538
  305   HD12  LEU  41          HD12      LEU  41  -7.506   6.585   4.596
  306   HD13  LEU  41          HD13      LEU  41  -8.017   5.519   5.906
  307   HD21  LEU  41          HD21      LEU  41 -10.830   5.619   5.525
  308   HD22  LEU  41          HD22      LEU  41 -10.219   3.970   5.405
  309   HD23  LEU  41          HD23      LEU  41 -11.227   4.632   4.118
  310    H    LEU  42           H        LEU  42 -12.091   5.626   1.344
  311    HA   LEU  42           HA       LEU  42 -12.883   3.106   2.416
  312    HB2  LEU  42           HB3      LEU  42 -14.458   4.969   2.011
  313    HB3  LEU  42           HB2      LEU  42 -14.222   4.792   0.273
  314    HG   LEU  42           HG       LEU  42 -14.901   2.246   0.914
  315   HD11  LEU  42          HD11      LEU  42 -16.442   4.032   2.816
  316   HD12  LEU  42          HD12      LEU  42 -15.252   2.819   3.289
  317   HD13  LEU  42          HD13      LEU  42 -16.761   2.323   2.523
  318   HD21  LEU  42          HD21      LEU  42 -17.307   3.066   0.339
  319   HD22  LEU  42          HD22      LEU  42 -16.025   3.305  -0.850
  320   HD23  LEU  42          HD23      LEU  42 -16.550   4.649   0.166
  321    H    LYS  43           H        LYS  43 -12.237   4.112  -0.927
  322    HA   LYS  43           HA       LYS  43 -12.818   1.636  -2.171
  323    HB2  LYS  43           HB3      LYS  43 -10.827   3.779  -2.931
  324    HB3  LYS  43           HB2      LYS  43 -11.290   2.447  -3.983
  325    HG2  LYS  43           HG3      LYS  43 -13.668   3.186  -3.809
  326    HG3  LYS  43           HG2      LYS  43 -13.133   4.577  -2.866
  327    HD2  LYS  43           HD3      LYS  43 -11.662   5.250  -4.773
  328    HD3  LYS  43           HD2      LYS  43 -12.335   3.920  -5.717
  329    HE2  LYS  43           HE3      LYS  43 -13.626   5.809  -6.346
  330    HE3  LYS  43           HE2      LYS  43 -14.639   4.941  -5.192
  331    HZ1  LYS  43           HZ1      LYS  43 -12.804   6.919  -4.096
  332    HZ2  LYS  43           HZ2      LYS  43 -14.389   6.532  -3.630
  333    HZ3  LYS  43           HZ3      LYS  43 -14.120   7.521  -4.985
  334    H    VAL  44           H        VAL  44  -9.897   2.806  -0.574
  335    HA   VAL  44           HA       VAL  44  -8.123   0.744  -1.397
  336    HB   VAL  44           HB       VAL  44  -8.212   2.416   1.119
  337   HG11  VAL  44          HG11      VAL  44  -6.340   0.260   0.212
  338   HG12  VAL  44          HG12      VAL  44  -6.869   0.668   1.844
  339   HG13  VAL  44          HG13      VAL  44  -5.664   1.668   1.033
  340   HG21  VAL  44          HG21      VAL  44  -7.045   3.962  -0.069
  341   HG22  VAL  44          HG22      VAL  44  -7.643   3.108  -1.491
  342   HG23  VAL  44          HG23      VAL  44  -6.044   2.735  -0.847
  343    H    ILE  45           H        ILE  45 -10.130   0.983   1.543
  344    HA   ILE  45           HA       ILE  45  -9.409  -1.617   2.521
  345    HB   ILE  45           HB       ILE  45 -11.733   0.230   3.087
  346   HG12  ILE  45          HG13      ILE  45 -10.438   0.150   5.375
  347   HG13  ILE  45          HG12      ILE  45  -9.095  -0.416   4.387
  348   HG21  ILE  45          HG21      ILE  45 -12.040  -1.321   5.103
  349   HG22  ILE  45          HG22      ILE  45 -11.076  -2.492   4.203
  350   HG23  ILE  45          HG23      ILE  45 -12.609  -1.920   3.546
  351   HD11  ILE  45          HD11      ILE  45  -9.174   1.572   3.019
  352   HD12  ILE  45          HD12      ILE  45  -9.151   2.079   4.706
  353   HD13  ILE  45          HD13      ILE  45 -10.662   2.108   3.800
  354    H    ALA  46           H        ALA  46 -11.949  -0.515   0.322
  355    HA   ALA  46           HA       ALA  46 -13.553  -2.881   0.463
  356    HB1  ALA  46           HB1      ALA  46 -14.558  -2.097  -1.612
  357    HB2  ALA  46           HB2      ALA  46 -13.197  -1.009  -1.890
  358    HB3  ALA  46           HB3      ALA  46 -14.292  -0.725  -0.536
  359    H    TRP  47           H        TRP  47 -11.022  -1.977  -1.932
  360    HA   TRP  47           HA       TRP  47 -11.207  -4.636  -3.153
  361    HB2  TRP  47           HB3      TRP  47 -10.284  -3.533  -4.877
  362    HB3  TRP  47           HB2      TRP  47 -10.070  -2.106  -3.862
  363    HD1  TRP  47           HD1      TRP  47  -8.272  -5.486  -4.490
  364    HE1  TRP  47           HE1      TRP  47  -5.735  -5.089  -4.242
  365    HE3  TRP  47           HE3      TRP  47  -8.281  -0.567  -3.195
  366    HZ2  TRP  47           HZ2      TRP  47  -3.945  -2.955  -3.578
  367    HZ3  TRP  47           HZ3      TRP  47  -6.155   0.636  -2.757
  368    HH2  TRP  47           HH2      TRP  47  -3.988  -0.554  -2.950
  369    H    LEU  48           H        LEU  48  -8.831  -2.910  -1.147
  370    HA   LEU  48           HA       LEU  48  -6.873  -4.947  -1.086
  371    HB2  LEU  48           HB3      LEU  48  -6.609  -2.607  -0.204
  372    HB3  LEU  48           HB2      LEU  48  -7.598  -3.066   1.178
  373    HG   LEU  48           HG       LEU  48  -5.932  -4.951   1.572
  374   HD11  LEU  48          HD11      LEU  48  -4.290  -5.260   0.065
  375   HD12  LEU  48          HD12      LEU  48  -3.684  -3.640   0.405
  376   HD13  LEU  48          HD13      LEU  48  -4.875  -3.885  -0.870
  377   HD21  LEU  48          HD21      LEU  48  -5.762  -2.111   2.133
  378   HD22  LEU  48          HD22      LEU  48  -4.153  -2.831   2.083
  379   HD23  LEU  48          HD23      LEU  48  -5.373  -3.473   3.183
  380    H    GLU  49           H        GLU  49  -9.716  -4.461   1.014
  381    HA   GLU  49           HA       GLU  49  -9.105  -6.736   2.695
  382    HB2  GLU  49           HB3      GLU  49 -11.169  -6.297   3.743
  383    HB3  GLU  49           HB2      GLU  49 -10.616  -4.715   3.224
  384    HG2  GLU  49           HG3      GLU  49 -12.826  -4.711   2.474
  385    HG3  GLU  49           HG2      GLU  49 -11.953  -5.261   1.048
  386    H    ASP  50           H        ASP  50 -11.077  -6.241  -0.205
  387    HA   ASP  50           HA       ASP  50 -12.431  -8.736  -0.203
  388    HB2  ASP  50           HB3      ASP  50 -12.889  -6.781  -1.717
  389    HB3  ASP  50           HB2      ASP  50 -11.453  -7.239  -2.632
  390    H    ARG  51           H        ARG  51  -9.214  -7.878  -1.424
  391    HA   ARG  51           HA       ARG  51  -8.683 -10.297  -2.803
  392    HB2  ARG  51           HB3      ARG  51  -6.825  -8.365  -1.425
  393    HB3  ARG  51           HB2      ARG  51  -6.279  -9.679  -2.461
  394    HG2  ARG  51           HG3      ARG  51  -7.670  -8.761  -4.310
  395    HG3  ARG  51           HG2      ARG  51  -8.108  -7.405  -3.270
  396    HD2  ARG  51           HD3      ARG  51  -6.263  -6.716  -4.685
  397    HD3  ARG  51           HD2      ARG  51  -5.668  -6.875  -3.032
  398    HE   ARG  51           HE       ARG  51  -5.342  -9.263  -4.723
  399   HH11  ARG  51          HH22      ARG  51  -4.052  -6.330  -3.444
  400   HH12  ARG  51          HH21      ARG  51  -2.402  -6.800  -3.675
  401   HH21  ARG  51          HH11      ARG  51  -3.194  -9.890  -5.034
  402   HH22  ARG  51          HH12      ARG  51  -1.916  -8.814  -4.577
  403    H    PHE  52           H        PHE  52  -8.177  -9.497   0.648
  404    HA   PHE  52           HA       PHE  52  -7.100 -12.233   1.034
  405    HB2  PHE  52           HB3      PHE  52  -7.230  -9.801   2.830
  406    HB3  PHE  52           HB2      PHE  52  -6.650 -11.376   3.367
  407    HD1  PHE  52           HD2      PHE  52  -6.012  -8.540   1.087
  408    HD2  PHE  52           HD1      PHE  52  -4.539 -12.282   2.597
  409    HE1  PHE  52           HE2      PHE  52  -3.797  -8.078   0.072
  410    HE2  PHE  52           HE1      PHE  52  -2.325 -11.820   1.582
  411    HZ   PHE  52           HZ       PHE  52  -1.954  -9.718   0.320
  412    H    GLY  53           H        GLY  53 -10.073 -10.630   1.208
  413    HA2  GLY  53           HA3      GLY  53 -12.160 -11.431   1.937
  414    HA3  GLY  53           HA2      GLY  53 -11.365 -12.959   2.331
  415    H    ILE  54           H        ILE  54 -10.273  -9.866   3.565
  416    HA   ILE  54           HA       ILE  54 -10.985 -10.821   6.297
  417    HB   ILE  54           HB       ILE  54  -9.197  -9.292   7.064
  418   HG12  ILE  54          HG13      ILE  54  -8.843  -8.782   4.092
  419   HG13  ILE  54          HG12      ILE  54  -9.427  -7.612   5.275
  420   HG21  ILE  54          HG21      ILE  54  -8.393 -11.163   4.815
  421   HG22  ILE  54          HG22      ILE  54  -8.631 -11.617   6.502
  422   HG23  ILE  54          HG23      ILE  54  -7.302 -10.546   6.056
  423   HD11  ILE  54          HD11      ILE  54  -6.699  -8.937   5.310
  424   HD12  ILE  54          HD12      ILE  54  -7.286  -7.765   6.491
  425   HD13  ILE  54          HD13      ILE  54  -7.028  -7.275   4.817
  426    H    ALA  55           H        ALA  55 -11.880  -9.272   7.808
  427    HA   ALA  55           HA       ALA  55 -13.449  -7.158   6.426
  428    HB1  ALA  55           HB1      ALA  55 -14.392  -7.180   8.983
  429    HB2  ALA  55           HB2      ALA  55 -13.835  -8.846   8.825
  430    HB3  ALA  55           HB3      ALA  55 -15.028  -8.204   7.696
  431    H    ALA  56           H        ALA  56 -13.080  -5.016   6.817
  432    HA   ALA  56           HA       ALA  56 -10.689  -4.200   8.203
  433    HB1  ALA  56           HB1      ALA  56 -11.075  -2.437   6.854
  434    HB2  ALA  56           HB2      ALA  56 -12.368  -1.951   7.950
  435    HB3  ALA  56           HB3      ALA  56 -12.730  -2.969   6.556
  436    H    ASP  57           H        ASP  57 -13.983  -4.682   9.191
  437    HA   ASP  57           HA       ASP  57 -14.189  -2.960  11.400
  438    HB2  ASP  57           HB3      ASP  57 -15.233  -5.766  11.011
  439    HB3  ASP  57           HB2      ASP  57 -15.715  -4.723  12.344
  440    H    ASP  58           H        ASP  58 -12.509  -6.058  11.119
  441    HA   ASP  58           HA       ASP  58 -12.000  -6.552  13.848
  442    HB2  ASP  58           HB3      ASP  58 -10.280  -7.091  11.426
  443    HB3  ASP  58           HB2      ASP  58  -9.937  -7.735  13.031
  444    H    VAL  59           H        VAL  59 -10.270  -4.436  11.584
  445    HA   VAL  59           HA       VAL  59  -8.968  -3.165  13.948
  446    HB   VAL  59           HB       VAL  59  -7.350  -4.709  12.834
  447   HG11  VAL  59          HG11      VAL  59  -7.421  -2.826  10.482
  448   HG12  VAL  59          HG12      VAL  59  -8.469  -4.243  10.532
  449   HG13  VAL  59          HG13      VAL  59  -6.716  -4.439  10.581
  450   HG21  VAL  59          HG21      VAL  59  -5.572  -3.194  12.963
  451   HG22  VAL  59          HG22      VAL  59  -6.825  -2.347  13.871
  452   HG23  VAL  59          HG23      VAL  59  -6.493  -1.899  12.198
  453    H    GLU  60           H        GLU  60  -8.785  -0.916  13.781
  454    HA   GLU  60           HA       GLU  60 -10.279   0.301  11.532
  455    HB2  GLU  60           HB3      GLU  60 -10.757   0.966  13.902
  456    HB3  GLU  60           HB2      GLU  60  -9.127   1.622  14.006
  457    HG2  GLU  60           HG3      GLU  60  -9.642   3.104  12.080
  458    HG3  GLU  60           HG2      GLU  60 -11.295   2.502  12.096
  459    H    LEU  61           H        LEU  61  -9.274   1.455   9.923
  460    HA   LEU  61           HA       LEU  61  -6.322   1.618  10.032
  461    HB2  LEU  61           HB3      LEU  61  -8.188   2.149   7.705
  462    HB3  LEU  61           HB2      LEU  61  -6.447   1.923   7.635
  463    HG   LEU  61           HG       LEU  61  -8.503  -0.137   8.429
  464   HD11  LEU  61          HD11      LEU  61  -8.175  -1.079   6.370
  465   HD12  LEU  61          HD12      LEU  61  -6.478  -0.607   6.312
  466   HD13  LEU  61          HD13      LEU  61  -7.734   0.571   5.933
  467   HD21  LEU  61          HD21      LEU  61  -6.697  -0.629   9.847
  468   HD22  LEU  61          HD22      LEU  61  -5.504  -0.072   8.673
  469   HD23  LEU  61          HD23      LEU  61  -6.340  -1.604   8.421
  470    H    SER  62           H        SER  62  -5.252   3.577  10.008
  471    HA   SER  62           HA       SER  62  -6.955   6.018  10.152
  472    HB2  SER  62           HB3      SER  62  -5.822   6.348  12.082
  473    HB3  SER  62           HB2      SER  62  -4.678   5.064  11.707
  474    HG   SER  62           HG       SER  62  -4.139   7.561  11.724
  475    HA   PRO  63           HA       PRO  63  -5.258   7.667   6.454
  476    HB2  PRO  63           HB2      PRO  63  -4.372  10.174   7.402
  477    HB3  PRO  63           HB3      PRO  63  -5.978   9.805   6.751
  478    HG2  PRO  63           HG3      PRO  63  -5.087  10.054   9.558
  479    HG3  PRO  63           HG2      PRO  63  -6.667  10.395   8.833
  480    HD2  PRO  63           HD3      PRO  63  -6.219   8.189  10.355
  481    HD3  PRO  63           HD2      PRO  63  -7.372   8.189   9.000
  482    H    GLU  64           H        GLU  64  -3.302   7.672   9.353
  483    HA   GLU  64           HA       GLU  64  -0.798   8.351   8.094
  484    HB2  GLU  64           HB3      GLU  64  -1.387   6.872  10.662
  485    HB3  GLU  64           HB2      GLU  64   0.191   7.475  10.191
  486    HG2  GLU  64           HG3      GLU  64  -0.752   9.765  10.082
  487    HG3  GLU  64           HG2      GLU  64  -2.289   9.130  10.657
  488    H    HIS  65           H        HIS  65  -2.632   5.405   8.496
  489    HA   HIS  65           HA       HIS  65  -0.485   3.575   8.006
  490    HB2  HIS  65           HB3      HIS  65  -2.517   2.664   8.872
  491    HB3  HIS  65           HB2      HIS  65  -3.469   3.377   7.568
  492    HD1  HIS  65           HD1      HIS  65  -4.223   1.500   6.105
  493    HD2  HIS  65           HD2      HIS  65  -0.251   1.032   7.288
  494    HE1  HIS  65           HE1      HIS  65  -3.347  -0.542   4.887
  495    HE2  HIS  65           HE2      HIS  65  -0.927  -0.827   5.592
  496    H    PHE  66           H        PHE  66  -2.240   5.725   5.991
  497    HA   PHE  66           HA       PHE  66  -1.479   4.314   3.518
  498    HB2  PHE  66           HB3      PHE  66  -2.886   6.978   3.860
  499    HB3  PHE  66           HB2      PHE  66  -2.796   6.014   2.384
  500    HD1  PHE  66           HD1      PHE  66  -3.971   5.882   5.929
  501    HD2  PHE  66           HD2      PHE  66  -4.418   4.351   1.942
  502    HE1  PHE  66           HE1      PHE  66  -5.982   4.619   6.642
  503    HE2  PHE  66           HE2      PHE  66  -6.430   3.089   2.655
  504    HZ   PHE  66           HZ       PHE  66  -7.209   3.227   5.005
  505    H    ARG  67           H        ARG  67   0.309   5.768   5.568
  506    HA   ARG  67           HA       ARG  67   1.474   8.083   4.553
  507    HB2  ARG  67           HB3      ARG  67   3.515   7.350   5.719
  508    HB3  ARG  67           HB2      ARG  67   2.091   7.016   6.696
  509    HG2  ARG  67           HG3      ARG  67   2.282   4.718   5.225
  510    HG3  ARG  67           HG2      ARG  67   3.980   5.142   5.423
  511    HD2  ARG  67           HD3      ARG  67   3.341   5.516   7.928
  512    HD3  ARG  67           HD2      ARG  67   1.924   4.547   7.537
  513    HE   ARG  67           HE       ARG  67   4.428   3.307   6.698
  514   HH11  ARG  67          HH22      ARG  67   2.147   3.841   9.226
  515   HH12  ARG  67          HH21      ARG  67   2.536   2.378  10.068
  516   HH21  ARG  67          HH11      ARG  67   4.944   1.388   7.779
  517   HH22  ARG  67          HH12      ARG  67   4.120   0.989   9.249
  518    H    SER  68           H        SER  68   2.012   4.724   3.485
  519    HA   SER  68           HA       SER  68   2.988   5.701   0.918
  520    HB2  SER  68           HB3      SER  68   5.056   5.980   2.090
  521    HB3  SER  68           HB2      SER  68   4.888   4.423   2.891
  522    HG   SER  68           HG       SER  68   6.059   4.955   0.587
  523    H    ILE  69           H        ILE  69   3.318   3.927  -0.618
  524    HA   ILE  69           HA       ILE  69   1.428   1.833  -0.414
  525    HB   ILE  69           HB       ILE  69   3.931   1.609  -2.075
  526   HG12  ILE  69          HG13      ILE  69   2.178   2.949  -3.686
  527   HG13  ILE  69          HG12      ILE  69   1.854   3.707  -2.129
  528   HG21  ILE  69          HG21      ILE  69   1.094   1.096  -2.913
  529   HG22  ILE  69          HG22      ILE  69   1.956  -0.097  -1.941
  530   HG23  ILE  69          HG23      ILE  69   2.578   0.367  -3.525
  531   HD11  ILE  69          HD11      ILE  69   4.394   3.669  -3.715
  532   HD12  ILE  69          HD12      ILE  69   4.480   3.807  -1.959
  533   HD13  ILE  69          HD13      ILE  69   3.612   5.021  -2.897
  534    H    ARG  70           H        ARG  70   4.887   1.917   0.303
  535    HA   ARG  70           HA       ARG  70   5.309  -0.843   0.779
  536    HB2  ARG  70           HB3      ARG  70   7.201  -0.080   2.203
  537    HB3  ARG  70           HB2      ARG  70   7.142   0.786   0.667
  538    HG2  ARG  70           HG3      ARG  70   5.579   2.423   2.103
  539    HG3  ARG  70           HG2      ARG  70   6.530   1.761   3.426
  540    HD2  ARG  70           HD3      ARG  70   7.838   2.880   0.937
  541    HD3  ARG  70           HD2      ARG  70   7.420   3.903   2.310
  542    HE   ARG  70           HE       ARG  70   8.890   1.657   3.276
  543   HH11  ARG  70          HH22      ARG  70   9.206   4.493   1.341
  544   HH12  ARG  70          HH21      ARG  70  10.885   4.717   1.707
  545   HH21  ARG  70          HH11      ARG  70  11.080   1.933   3.765
  546   HH22  ARG  70          HH12      ARG  70  11.945   3.267   3.079
  547    H    SER  71           H        SER  71   4.113   1.715   2.934
  548    HA   SER  71           HA       SER  71   3.998   0.104   5.298
  549    HB2  SER  71           HB3      SER  71   2.597   1.856   6.191
  550    HB3  SER  71           HB2      SER  71   3.835   2.617   5.199
  551    HG   SER  71           HG       SER  71   1.918   2.090   3.550
  552    H    ILE  72           H        ILE  72   1.692   0.664   2.656
  553    HA   ILE  72           HA       ILE  72  -0.527  -0.664   3.867
  554    HB   ILE  72           HB       ILE  72   0.180  -0.353   0.936
  555   HG12  ILE  72          HG13      ILE  72  -1.583   1.331   2.747
  556   HG13  ILE  72          HG12      ILE  72   0.037   1.784   2.214
  557   HG21  ILE  72          HG21      ILE  72  -2.272  -0.623   0.622
  558   HG22  ILE  72          HG22      ILE  72  -2.428  -0.981   2.342
  559   HG23  ILE  72          HG23      ILE  72  -1.517  -2.068   1.293
  560   HD11  ILE  72          HD11      ILE  72  -2.438   1.412   0.518
  561   HD12  ILE  72          HD12      ILE  72  -0.819   1.482  -0.176
  562   HD13  ILE  72          HD13      ILE  72  -1.461   2.867   0.705
  563    H    ASP  73           H        ASP  73   2.038  -1.833   1.683
  564    HA   ASP  73           HA       ASP  73   1.087  -4.500   1.421
  565    HB2  ASP  73           HB3      ASP  73   3.026  -3.337   0.178
  566    HB3  ASP  73           HB2      ASP  73   4.014  -3.771   1.570
  567    H    ALA  74           H        ALA  74   3.208  -3.008   3.850
  568    HA   ALA  74           HA       ALA  74   3.761  -5.434   5.278
  569    HB1  ALA  74           HB1      ALA  74   4.652  -2.838   5.408
  570    HB2  ALA  74           HB2      ALA  74   5.021  -4.087   6.599
  571    HB3  ALA  74           HB3      ALA  74   3.686  -2.968   6.879
  572    H    PHE  75           H        PHE  75   1.298  -2.902   5.735
  573    HA   PHE  75           HA       PHE  75   0.149  -4.003   8.103
  574    HB2  PHE  75           HB3      PHE  75  -0.325  -1.714   7.184
  575    HB3  PHE  75           HB2      PHE  75  -1.308  -2.481   5.939
  576    HD1  PHE  75           HD1      PHE  75  -1.023  -1.756   9.541
  577    HD2  PHE  75           HD2      PHE  75  -3.433  -3.541   6.465
  578    HE1  PHE  75           HE1      PHE  75  -2.938  -1.879  11.113
  579    HE2  PHE  75           HE2      PHE  75  -5.348  -3.663   8.036
  580    HZ   PHE  75           HZ       PHE  75  -5.101  -2.833  10.360
  581    H    VAL  76           H        VAL  76  -0.700  -4.472   4.667
  582    HA   VAL  76           HA       VAL  76  -2.872  -6.257   5.113
  583    HB   VAL  76           HB       VAL  76  -0.924  -6.097   2.792
  584   HG11  VAL  76          HG11      VAL  76  -2.035  -7.849   1.945
  585   HG12  VAL  76          HG12      VAL  76  -3.529  -6.914   2.022
  586   HG13  VAL  76          HG13      VAL  76  -3.050  -7.924   3.384
  587   HG21  VAL  76          HG21      VAL  76  -2.072  -4.278   2.090
  588   HG22  VAL  76          HG22      VAL  76  -2.731  -4.196   3.724
  589   HG23  VAL  76          HG23      VAL  76  -3.626  -5.029   2.453
  590    H    VAL  77           H        VAL  77   0.610  -6.852   4.602
  591    HA   VAL  77           HA       VAL  77   0.415  -9.710   4.744
  592    HB   VAL  77           HB       VAL  77   2.699  -7.785   5.252
  593   HG11  VAL  77          HG11      VAL  77   2.566 -10.794   5.288
  594   HG12  VAL  77          HG12      VAL  77   3.314  -9.712   6.463
  595   HG13  VAL  77          HG13      VAL  77   4.060  -9.950   4.883
  596   HG21  VAL  77          HG21      VAL  77   3.420  -8.446   3.038
  597   HG22  VAL  77          HG22      VAL  77   1.723  -7.979   2.928
  598   HG23  VAL  77          HG23      VAL  77   2.168  -9.685   2.948
  599    H    GLY  78           H        GLY  78   1.105  -7.195   7.170
  600    HA2  GLY  78           HA3      GLY  78   1.643  -8.897   9.373
  601    HA3  GLY  78           HA2      GLY  78   0.979  -7.271   9.509
  602    H    ALA  79           H        ALA  79  -1.341  -8.168   7.756
  603    HA   ALA  79           HA       ALA  79  -3.138  -8.818   9.897
  604    HB1  ALA  79           HB1      ALA  79  -4.187  -9.534   7.292
  605    HB2  ALA  79           HB2      ALA  79  -3.363  -7.977   7.226
  606    HB3  ALA  79           HB3      ALA  79  -4.682  -8.230   8.370
  607    H    THR  80           H        THR  80  -1.349 -10.807   7.603
  608    HA   THR  80           HA       THR  80  -2.542 -13.212   8.923
  609    HB   THR  80           HB       THR  80  -2.717 -14.348   6.860
  610    HG1  THR  80           HG1      THR  80  -1.447 -12.229   5.514
  611   HG21  THR  80          HG21      THR  80  -4.331 -13.093   5.777
  612   HG22  THR  80          HG22      THR  80  -3.376 -11.612   5.847
  613   HG23  THR  80          HG23      THR  80  -4.214 -12.190   7.288
  614    H    THR  81           H        THR  81   0.291 -11.767   7.408
  615    HA   THR  81           HA       THR  81   1.932 -13.880   8.716
  616    HB   THR  81           HB       THR  81   3.429 -13.168   6.539
  617    HG1  THR  81           HG1      THR  81   1.712 -13.490   4.848
  618   HG21  THR  81          HG21      THR  81   3.264 -15.446   7.041
  619   HG22  THR  81          HG22      THR  81   2.356 -15.334   5.533
  620   HG23  THR  81          HG23      THR  81   1.501 -15.406   7.074
  621    HA   PRO  82           HA       PRO  82   4.209 -10.566  10.520
  622    HB2  PRO  82           HB2      PRO  82   6.817 -11.526  10.222
  623    HB3  PRO  82           HB3      PRO  82   5.712 -11.939  11.545
  624    HG2  PRO  82           HG3      PRO  82   6.396 -13.472   9.103
  625    HG3  PRO  82           HG2      PRO  82   6.012 -14.048  10.732
  626    HD2  PRO  82           HD3      PRO  82   4.229 -14.195   8.685
  627    HD3  PRO  82           HD2      PRO  82   3.721 -13.961  10.372
  628    HA   PRO  83           HA       PRO  83   5.400  -8.218   6.874
  629    HB2  PRO  83           HB2      PRO  83   6.198  -5.914   8.135
  630    HB3  PRO  83           HB3      PRO  83   4.510  -6.337   7.809
  631    HG2  PRO  83           HG3      PRO  83   6.047  -6.496  10.332
  632    HG3  PRO  83           HG2      PRO  83   4.331  -6.150  10.071
  633    HD2  PRO  83           HD3      PRO  83   5.314  -8.588  10.935
  634    HD3  PRO  83           HD2      PRO  83   3.747  -8.367  10.129
  635    H    VAL  84           H        VAL  84   7.306  -7.497   5.823
  636    HA   VAL  84           HA       VAL  84   9.822  -8.357   7.175
  637    HB   VAL  84           HB       VAL  84  10.783  -8.454   4.914
  638   HG11  VAL  84          HG11      VAL  84   9.179 -10.278   5.958
  639   HG12  VAL  84          HG12      VAL  84   9.726 -10.429   4.288
  640   HG13  VAL  84          HG13      VAL  84   8.116  -9.797   4.634
  641   HG21  VAL  84          HG21      VAL  84   9.762  -6.754   3.673
  642   HG22  VAL  84          HG22      VAL  84   8.143  -7.189   4.222
  643   HG23  VAL  84          HG23      VAL  84   8.969  -8.192   3.028
  644    H    GLU  85           H        GLU  85  11.383  -6.853   7.638
  645    HA   GLU  85           HA       GLU  85  12.153  -4.665   8.107
  646    HB2  GLU  85           HB3      GLU  85  13.075  -5.233   5.837
  647    HB3  GLU  85           HB2      GLU  85  11.694  -4.400   5.122
  648    HG2  GLU  85           HG3      GLU  85  12.346  -2.333   6.357
  649    HG3  GLU  85           HG2      GLU  85  13.776  -3.175   6.954
  650    H    ALA  86           H        ALA  86   9.871  -4.376   9.152
  651    HA   ALA  86           HA       ALA  86   7.752  -3.025   7.900
  652    HB1  ALA  86           HB1      ALA  86   6.913  -2.861  10.003
  653    HB2  ALA  86           HB2      ALA  86   8.344  -2.019  10.600
  654    HB3  ALA  86           HB3      ALA  86   8.338  -3.779  10.489
  655    H    LYS  87           H        LYS  87   7.263  -0.808   7.601
  656    HA   LYS  87           HA       LYS  87   9.371   0.888   6.768
  657    HB2  LYS  87           HB3      LYS  87   6.939   1.129   6.158
  658    HB3  LYS  87           HB2      LYS  87   6.654   1.780   7.772
  659    HG2  LYS  87           HG3      LYS  87   8.314   3.573   7.319
  660    HG3  LYS  87           HG2      LYS  87   8.513   2.947   5.681
  661    HD2  LYS  87           HD3      LYS  87   6.026   3.256   5.354
  662    HD3  LYS  87           HD2      LYS  87   5.990   4.091   6.907
  663    HE2  LYS  87           HE3      LYS  87   7.115   4.985   4.303
  664    HE3  LYS  87           HE2      LYS  87   6.332   5.925   5.572
  665    HZ1  LYS  87           HZ1      LYS  87   8.285   5.892   6.869
  666    HZ2  LYS  87           HZ2      LYS  87   8.779   6.301   5.299
  667    HZ3  LYS  87           HZ3      LYS  87   9.023   4.725   5.882
  668    H    LEU  88           H        LEU  88   7.755   0.603   9.908
  669    HA   LEU  88           HA       LEU  88   9.373   2.825  11.000
  670    HB2  LEU  88           HB3      LEU  88   7.399   1.000  12.408
  671    HB3  LEU  88           HB2      LEU  88   8.069   2.505  13.037
  672    HG   LEU  88           HG       LEU  88   6.282   2.213  10.604
  673   HD11  LEU  88          HD11      LEU  88   5.896   3.161  13.431
  674   HD12  LEU  88          HD12      LEU  88   4.858   2.121  12.456
  675   HD13  LEU  88          HD13      LEU  88   4.920   3.854  12.136
  676   HD21  LEU  88          HD21      LEU  88   6.373   4.834  10.931
  677   HD22  LEU  88          HD22      LEU  88   7.644   4.015  10.022
  678   HD23  LEU  88          HD23      LEU  88   7.919   4.480  11.701
  679    H    GLN  89           H        GLN  89  11.053   2.521  12.478
  680    HA   GLN  89           HA       GLN  89  11.624  -0.004  13.743
  681    HB2  GLN  89           HB3      GLN  89  12.228  -0.559  11.377
  682    HB3  GLN  89           HB2      GLN  89  13.419   0.742  11.415
  683    HG2  GLN  89           HG3      GLN  89  14.580  -0.352  13.287
  684    HG3  GLN  89           HG2      GLN  89  13.378  -1.644  13.287
  685   HE21  GLN  89          HE22      GLN  89  15.959  -2.489  12.884
  686   HE22  GLN  89          HE21      GLN  89  16.224  -2.888  11.256
  Start of MODEL    3
    1    H1   SER  -1           H1       SER  -1  12.075  -0.639  -2.393
    2    H2   SER  -1           H2       SER  -1  11.890  -0.289  -4.046
    3    H3   SER  -1           H3       SER  -1  13.418  -0.165  -3.312
    4    HA   SER  -1           HA       SER  -1  13.360  -2.175  -4.585
    5    HB2  SER  -1           HB3      SER  -1  12.956  -3.284  -1.864
    6    HB3  SER  -1           HB2      SER  -1  14.325  -3.462  -2.959
    7    HG   SER  -1           HG       SER  -1  14.429  -2.051  -0.918
    8    H    GLU   0           H        GLU   0  12.113  -3.796  -5.463
    9    HA   GLU   0           HA       GLU   0   9.289  -3.757  -5.218
   10    HB2  GLU   0           HB3      GLU   0  11.095  -6.029  -6.106
   11    HB3  GLU   0           HB2      GLU   0   9.355  -5.949  -6.388
   12    HG2  GLU   0           HG3      GLU   0   9.677  -3.826  -7.640
   13    HG3  GLU   0           HG2      GLU   0  11.420  -3.975  -7.407
   14    H    MET   1           H        MET   1   7.846  -4.994  -3.972
   15    HA   MET   1           HA       MET   1   9.083  -6.463  -1.684
   16    HB2  MET   1           HB3      MET   1   6.308  -5.247  -1.924
   17    HB3  MET   1           HB2      MET   1   7.026  -5.950  -0.469
   18    HG2  MET   1           HG3      MET   1   8.868  -4.220  -0.672
   19    HG3  MET   1           HG2      MET   1   7.903  -3.455  -1.931
   20    HE1  MET   1           HE1      MET   1   6.427  -5.015   1.756
   21    HE2  MET   1           HE2      MET   1   7.428  -3.756   2.493
   22    HE3  MET   1           HE3      MET   1   8.142  -4.910   1.369
   23    H    GLN   2           H        GLN   2   5.897  -7.021  -1.635
   24    HA   GLN   2           HA       GLN   2   6.109  -9.520  -3.265
   25    HB2  GLN   2           HB3      GLN   2   4.406  -9.058  -0.796
   26    HB3  GLN   2           HB2      GLN   2   4.598 -10.578  -1.672
   27    HG2  GLN   2           HG3      GLN   2   6.801  -9.073  -0.236
   28    HG3  GLN   2           HG2      GLN   2   6.032 -10.558   0.325
   29   HE21  GLN   2          HE22      GLN   2   8.860  -9.659  -0.956
   30   HE22  GLN   2          HE21      GLN   2   9.190 -10.972  -1.981
   31    H    HIS   3           H        HIS   3   4.701  -9.508  -4.979
   32    HA   HIS   3           HA       HIS   3   2.987  -8.685  -6.381
   33    HB2  HIS   3           HB3      HIS   3   1.447  -8.600  -3.767
   34    HB3  HIS   3           HB2      HIS   3   0.778  -8.779  -5.389
   35    HD1  HIS   3           HD1      HIS   3   2.601 -10.667  -2.706
   36    HD2  HIS   3           HD2      HIS   3   1.063 -11.387  -6.517
   37    HE1  HIS   3           HE1      HIS   3   2.649 -13.180  -3.037
   38    HE2  HIS   3           HE2      HIS   3   1.715 -13.627  -5.353
   39    H    ALA   4           H        ALA   4   4.768  -6.751  -4.805
   40    HA   ALA   4           HA       ALA   4   3.336  -4.475  -3.964
   41    HB1  ALA   4           HB1      ALA   4   6.030  -5.137  -4.448
   42    HB2  ALA   4           HB2      ALA   4   5.419  -3.667  -3.691
   43    HB3  ALA   4           HB3      ALA   4   5.710  -3.708  -5.430
   44    H    SER   5           H        SER   5   4.344  -5.445  -7.233
   45    HA   SER   5           HA       SER   5   3.560  -3.061  -8.580
   46    HB2  SER   5           HB3      SER   5   3.441  -5.896  -9.646
   47    HB3  SER   5           HB2      SER   5   3.519  -4.420 -10.604
   48    HG   SER   5           HG       SER   5   5.520  -4.111  -9.142
   49    H    VAL   6           H        VAL   6   1.711  -5.909  -7.585
   50    HA   VAL   6           HA       VAL   6  -0.692  -5.286  -8.999
   51    HB   VAL   6           HB       VAL   6  -0.248  -6.781  -6.411
   52   HG11  VAL   6          HG11      VAL   6  -2.704  -6.044  -7.888
   53   HG12  VAL   6          HG12      VAL   6  -2.499  -6.488  -6.192
   54   HG13  VAL   6          HG13      VAL   6  -2.583  -7.743  -7.429
   55   HG21  VAL   6          HG21      VAL   6  -0.852  -7.809  -9.195
   56   HG22  VAL   6          HG22      VAL   6  -0.381  -8.759  -7.786
   57   HG23  VAL   6          HG23      VAL   6   0.782  -7.671  -8.546
   58    H    ILE   7           H        ILE   7   0.373  -4.463  -5.705
   59    HA   ILE   7           HA       ILE   7  -1.966  -3.040  -4.920
   60    HB   ILE   7           HB       ILE   7   0.919  -2.504  -4.139
   61   HG12  ILE   7          HG13      ILE   7  -1.149  -4.206  -2.722
   62   HG13  ILE   7          HG12      ILE   7   0.058  -4.875  -3.821
   63   HG21  ILE   7          HG21      ILE   7  -0.192  -1.657  -2.034
   64   HG22  ILE   7          HG22      ILE   7  -1.737  -1.774  -2.875
   65   HG23  ILE   7          HG23      ILE   7  -0.495  -0.668  -3.463
   66   HD11  ILE   7          HD11      ILE   7   0.392  -4.321  -1.080
   67   HD12  ILE   7          HD12      ILE   7   1.308  -3.075  -1.931
   68   HD13  ILE   7          HD13      ILE   7   1.647  -4.780  -2.231
   69    H    ALA   8           H        ALA   8   1.021  -1.935  -6.508
   70    HA   ALA   8           HA       ALA   8   0.287   0.817  -6.707
   71    HB1  ALA   8           HB1      ALA   8   2.190   1.048  -7.992
   72    HB2  ALA   8           HB2      ALA   8   1.885  -0.435  -8.897
   73    HB3  ALA   8           HB3      ALA   8   2.545  -0.519  -7.263
   74    H    GLN   9           H        GLN   9  -0.404  -1.999  -8.720
   75    HA   GLN   9           HA       GLN   9  -1.484  -0.643 -10.973
   76    HB2  GLN   9           HB3      GLN   9  -0.990  -3.115 -10.811
   77    HB3  GLN   9           HB2      GLN   9  -2.451  -3.280  -9.837
   78    HG2  GLN   9           HG3      GLN   9  -3.761  -2.266 -11.710
   79    HG3  GLN   9           HG2      GLN   9  -2.292  -2.254 -12.686
   80   HE21  GLN   9          HE22      GLN   9  -4.977  -4.178 -11.769
   81   HE22  GLN   9          HE21      GLN   9  -4.415  -5.662 -12.370
   82    H    PHE  10           H        PHE  10  -2.958  -1.587  -7.887
   83    HA   PHE  10           HA       PHE  10  -5.629  -0.812  -8.650
   84    HB2  PHE  10           HB3      PHE  10  -4.279  -1.304  -6.007
   85    HB3  PHE  10           HB2      PHE  10  -5.932  -0.701  -6.081
   86    HD1  PHE  10           HD2      PHE  10  -7.655  -2.028  -7.420
   87    HD2  PHE  10           HD1      PHE  10  -3.810  -3.605  -6.332
   88    HE1  PHE  10           HE2      PHE  10  -8.493  -4.332  -7.795
   89    HE2  PHE  10           HE1      PHE  10  -4.650  -5.908  -6.704
   90    HZ   PHE  10           HZ       PHE  10  -6.991  -6.270  -7.432
   91    H    VAL  11           H        VAL  11  -3.127   0.893  -6.733
   92    HA   VAL  11           HA       VAL  11  -4.736   3.182  -6.233
   93    HB   VAL  11           HB       VAL  11  -2.851   4.155  -5.333
   94   HG11  VAL  11          HG11      VAL  11  -1.853   2.495  -4.098
   95   HG12  VAL  11          HG12      VAL  11  -1.537   1.488  -5.511
   96   HG13  VAL  11          HG13      VAL  11  -3.156   1.547  -4.814
   97   HG21  VAL  11          HG21      VAL  11  -1.585   4.551  -7.346
   98   HG22  VAL  11          HG22      VAL  11  -1.288   2.828  -7.560
   99   HG23  VAL  11          HG23      VAL  11  -0.528   3.691  -6.230
  100    H    VAL  12           H        VAL  12  -2.402   2.601  -8.903
  101    HA   VAL  12           HA       VAL  12  -2.851   5.153 -10.123
  102    HB   VAL  12           HB       VAL  12  -1.879   4.112 -12.150
  103   HG11  VAL  12          HG11      VAL  12  -0.034   4.693 -10.971
  104   HG12  VAL  12          HG12      VAL  12   0.107   2.971 -10.614
  105   HG13  VAL  12          HG13      VAL  12  -0.690   4.048  -9.466
  106   HG21  VAL  12          HG21      VAL  12  -1.070   1.649 -11.657
  107   HG22  VAL  12          HG22      VAL  12  -2.692   1.937 -12.286
  108   HG23  VAL  12          HG23      VAL  12  -2.453   1.640 -10.566
  109    H    GLU  13           H        GLU  13  -4.349   1.943 -10.713
  110    HA   GLU  13           HA       GLU  13  -6.077   2.865 -12.802
  111    HB2  GLU  13           HB3      GLU  13  -6.272   0.547 -10.883
  112    HB3  GLU  13           HB2      GLU  13  -7.432   0.819 -12.174
  113    HG2  GLU  13           HG3      GLU  13  -5.595   0.779 -13.824
  114    HG3  GLU  13           HG2      GLU  13  -4.455   0.446 -12.526
  115    H    GLU  14           H        GLU  14  -6.245   3.058  -9.335
  116    HA   GLU  14           HA       GLU  14  -9.053   3.524  -9.067
  117    HB2  GLU  14           HB3      GLU  14  -7.480   3.022  -7.179
  118    HB3  GLU  14           HB2      GLU  14  -6.834   4.655  -7.342
  119    HG2  GLU  14           HG3      GLU  14  -9.129   5.561  -6.969
  120    HG3  GLU  14           HG2      GLU  14  -9.704   3.915  -6.697
  121    H    PHE  15           H        PHE  15  -6.378   5.668  -9.937
  122    HA   PHE  15           HA       PHE  15  -8.411   7.740 -10.578
  123    HB2  PHE  15           HB3      PHE  15  -7.536   8.270  -8.323
  124    HB3  PHE  15           HB2      PHE  15  -5.898   8.301  -8.978
  125    HD1  PHE  15           HD1      PHE  15  -9.263   9.888  -9.289
  126    HD2  PHE  15           HD2      PHE  15  -5.049  10.233 -10.043
  127    HE1  PHE  15           HE1      PHE  15  -9.580  12.250  -9.976
  128    HE2  PHE  15           HE2      PHE  15  -5.365  12.594 -10.731
  129    HZ   PHE  15           HZ       PHE  15  -7.631  13.603 -10.699
  130    H    LEU  16           H        LEU  16  -5.109   6.527 -10.996
  131    HA   LEU  16           HA       LEU  16  -4.960   8.104 -13.537
  132    HB2  LEU  16           HB3      LEU  16  -2.968   7.552 -11.391
  133    HB3  LEU  16           HB2      LEU  16  -2.383   7.613 -13.049
  134    HG   LEU  16           HG       LEU  16  -4.229   9.773 -12.126
  135   HD11  LEU  16          HD11      LEU  16  -2.057  11.017 -11.437
  136   HD12  LEU  16          HD12      LEU  16  -1.358   9.406 -11.277
  137   HD13  LEU  16          HD13      LEU  16  -2.747   9.867 -10.292
  138   HD21  LEU  16          HD21      LEU  16  -1.713  10.108 -13.732
  139   HD22  LEU  16          HD22      LEU  16  -3.233  10.995 -13.845
  140   HD23  LEU  16          HD23      LEU  16  -3.118   9.357 -14.489
  141    HA   PRO  17           HA       PRO  17  -4.774   3.581 -14.551
  142    HB2  PRO  17           HB2      PRO  17  -6.542   3.665 -16.634
  143    HB3  PRO  17           HB3      PRO  17  -7.029   3.438 -14.944
  144    HG2  PRO  17           HG3      PRO  17  -7.196   5.845 -16.652
  145    HG3  PRO  17           HG2      PRO  17  -8.255   5.311 -15.341
  146    HD2  PRO  17           HD3      PRO  17  -6.319   7.305 -15.130
  147    HD3  PRO  17           HD2      PRO  17  -7.049   6.441 -13.763
  148    H    ASP  18           H        ASP  18  -4.274   6.482 -16.412
  149    HA   ASP  18           HA       ASP  18  -3.118   5.007 -18.681
  150    HB2  ASP  18           HB3      ASP  18  -2.809   7.210 -19.680
  151    HB3  ASP  18           HB2      ASP  18  -4.449   7.070 -19.060
  152    H    VAL  19           H        VAL  19  -1.978   5.337 -15.740
  153    HA   VAL  19           HA       VAL  19   0.748   6.250 -16.559
  154    HB   VAL  19           HB       VAL  19  -0.443   5.877 -13.792
  155   HG11  VAL  19          HG11      VAL  19   2.307   6.599 -14.793
  156   HG12  VAL  19          HG12      VAL  19   1.858   5.456 -13.528
  157   HG13  VAL  19          HG13      VAL  19   1.739   7.191 -13.232
  158   HG21  VAL  19          HG21      VAL  19  -1.302   7.844 -15.027
  159   HG22  VAL  19          HG22      VAL  19   0.350   8.370 -15.333
  160   HG23  VAL  19          HG23      VAL  19  -0.273   8.334 -13.684
  161    H    ALA  20           H        ALA  20   2.405   4.784 -16.596
  162    HA   ALA  20           HA       ALA  20   1.811   1.967 -16.400
  163    HB1  ALA  20           HB1      ALA  20   4.521   2.042 -16.375
  164    HB2  ALA  20           HB2      ALA  20   4.172   3.647 -17.017
  165    HB3  ALA  20           HB3      ALA  20   3.563   2.213 -17.845
  166    HA   PRO  21           HA       PRO  21   2.148   1.904 -11.864
  167    HB2  PRO  21           HB2      PRO  21   2.629  -0.994 -12.327
  168    HB3  PRO  21           HB3      PRO  21   1.448  -0.203 -11.268
  169    HG2  PRO  21           HG3      PRO  21   0.776  -1.375 -13.597
  170    HG3  PRO  21           HG2      PRO  21  -0.093   0.013 -12.925
  171    HD2  PRO  21           HD3      PRO  21   1.731  -0.098 -15.259
  172    HD3  PRO  21           HD2      PRO  21   0.440   1.063 -14.879
  173    H    ALA  22           H        ALA  22   4.402   0.185 -14.006
  174    HA   ALA  22           HA       ALA  22   6.496  -0.085 -12.038
  175    HB1  ALA  22           HB1      ALA  22   7.935  -0.628 -13.929
  176    HB2  ALA  22           HB2      ALA  22   6.762   0.050 -15.058
  177    HB3  ALA  22           HB3      ALA  22   6.374  -1.416 -14.159
  178    H    ASP  23           H        ASP  23   5.305   2.536 -13.909
  179    HA   ASP  23           HA       ASP  23   7.787   4.081 -13.850
  180    HB2  ASP  23           HB3      ASP  23   6.070   4.334 -15.655
  181    HB3  ASP  23           HB2      ASP  23   4.971   5.018 -14.457
  182    H    VAL  24           H        VAL  24   5.878   3.171 -11.408
  183    HA   VAL  24           HA       VAL  24   5.839   5.843 -10.074
  184    HB   VAL  24           HB       VAL  24   4.607   3.266  -9.079
  185   HG11  VAL  24          HG11      VAL  24   4.234   6.198  -8.416
  186   HG12  VAL  24          HG12      VAL  24   4.855   4.933  -7.357
  187   HG13  VAL  24          HG13      VAL  24   3.159   4.925  -7.839
  188   HG21  VAL  24          HG21      VAL  24   2.502   4.008 -10.061
  189   HG22  VAL  24          HG22      VAL  24   3.717   3.924 -11.337
  190   HG23  VAL  24          HG23      VAL  24   3.260   5.485 -10.657
  191    H    ASP  25           H        ASP  25   7.280   6.238  -8.437
  192    HA   ASP  25           HA       ASP  25   9.164   4.078  -7.727
  193    HB2  ASP  25           HB3      ASP  25   9.950   6.420  -8.216
  194    HB3  ASP  25           HB2      ASP  25   9.101   6.956  -6.766
  195    H    VAL  26           H        VAL  26   8.699   2.789  -6.004
  196    HA   VAL  26           HA       VAL  26   6.570   3.466  -4.149
  197    HB   VAL  26           HB       VAL  26   7.125   1.338  -3.091
  198   HG11  VAL  26          HG11      VAL  26   7.595   0.739  -5.980
  199   HG12  VAL  26          HG12      VAL  26   6.111   1.586  -5.542
  200   HG13  VAL  26          HG13      VAL  26   6.457   0.000  -4.854
  201   HG21  VAL  26          HG21      VAL  26   9.553   1.501  -3.088
  202   HG22  VAL  26          HG22      VAL  26   9.590   1.471  -4.852
  203   HG23  VAL  26          HG23      VAL  26   9.089   0.037  -3.955
  204    H    ASP  27           H        ASP  27   9.601   4.689  -4.378
  205    HA   ASP  27           HA       ASP  27  10.297   4.590  -1.522
  206    HB2  ASP  27           HB3      ASP  27  11.516   6.049  -3.886
  207    HB3  ASP  27           HB2      ASP  27  12.158   6.116  -2.248
  208    H    LEU  28           H        LEU  28   8.463   6.554  -3.664
  209    HA   LEU  28           HA       LEU  28   8.596   8.928  -1.913
  210    HB2  LEU  28           HB3      LEU  28   8.456   9.183  -4.387
  211    HB3  LEU  28           HB2      LEU  28   6.884   8.391  -4.362
  212    HG   LEU  28           HG       LEU  28   6.077  10.176  -2.789
  213   HD11  LEU  28          HD11      LEU  28   7.829  11.229  -1.751
  214   HD12  LEU  28          HD12      LEU  28   7.711  12.304  -3.143
  215   HD13  LEU  28          HD13      LEU  28   8.911  11.014  -3.126
  216   HD21  LEU  28          HD21      LEU  28   5.723  10.269  -5.268
  217   HD22  LEU  28          HD22      LEU  28   7.195  11.231  -5.405
  218   HD23  LEU  28          HD23      LEU  28   5.805  11.865  -4.524
  219    H    ASP  29           H        ASP  29   7.046   9.379  -0.374
  220    HA   ASP  29           HA       ASP  29   5.285   7.324   0.489
  221    HB2  ASP  29           HB3      ASP  29   5.213  10.311   1.020
  222    HB3  ASP  29           HB2      ASP  29   4.216   9.132   1.873
  223    H    LEU  30           H        LEU  30   3.216   6.833  -0.069
  224    HA   LEU  30           HA       LEU  30   2.124   7.747  -2.530
  225    HB2  LEU  30           HB3      LEU  30   1.617   5.550  -1.429
  226    HB3  LEU  30           HB2      LEU  30   0.636   6.418  -0.250
  227    HG   LEU  30           HG       LEU  30  -0.762   7.311  -2.102
  228   HD11  LEU  30          HD11      LEU  30  -0.321   5.739  -4.267
  229   HD12  LEU  30          HD12      LEU  30   1.332   5.913  -3.676
  230   HD13  LEU  30          HD13      LEU  30   0.386   7.344  -4.085
  231   HD21  LEU  30          HD21      LEU  30  -0.781   4.395  -2.644
  232   HD22  LEU  30          HD22      LEU  30  -2.085   5.443  -2.087
  233   HD23  LEU  30          HD23      LEU  30  -0.881   4.849  -0.944
  234    H    VAL  31           H        VAL  31   1.500   8.737   0.814
  235    HA   VAL  31           HA       VAL  31  -0.801  10.335   0.247
  236    HB   VAL  31           HB       VAL  31   1.265  10.548   2.444
  237   HG11  VAL  31          HG11      VAL  31   0.386  12.637   2.688
  238   HG12  VAL  31          HG12      VAL  31  -1.000  11.781   3.363
  239   HG13  VAL  31          HG13      VAL  31  -1.005  12.271   1.667
  240   HG21  VAL  31          HG21      VAL  31  -1.612   9.629   2.583
  241   HG22  VAL  31          HG22      VAL  31  -0.320   9.347   3.751
  242   HG23  VAL  31          HG23      VAL  31  -0.302   8.513   2.196
  243    H    ASP  32           H        ASP  32   2.661  11.070   0.094
  244    HA   ASP  32           HA       ASP  32   2.528  13.874  -0.134
  245    HB2  ASP  32           HB3      ASP  32   4.322  11.901  -1.585
  246    HB3  ASP  32           HB2      ASP  32   4.569  13.647  -1.605
  247    H    ASN  33           H        ASN  33   1.764  11.354  -2.447
  248    HA   ASN  33           HA       ASN  33   1.444  13.085  -4.733
  249    HB2  ASN  33           HB3      ASN  33   0.383  10.339  -4.077
  250    HB3  ASN  33           HB2      ASN  33   0.155  11.116  -5.637
  251   HD21  ASN  33          HD22      ASN  33   1.644   8.687  -5.429
  252   HD22  ASN  33          HD21      ASN  33   3.275   9.019  -5.769
  253    H    GLY  34           H        GLY  34  -0.704  11.950  -2.169
  254    HA2  GLY  34           HA3      GLY  34  -2.716  13.019  -1.454
  255    HA3  GLY  34           HA2      GLY  34  -2.643  14.053  -2.884
  256    H    VAL  35           H        VAL  35  -2.061  10.918  -3.817
  257    HA   VAL  35           HA       VAL  35  -4.479  10.674  -5.315
  258    HB   VAL  35           HB       VAL  35  -2.457   8.582  -4.457
  259   HG11  VAL  35          HG11      VAL  35  -3.641   7.641  -6.741
  260   HG12  VAL  35          HG12      VAL  35  -5.012   8.391  -5.925
  261   HG13  VAL  35          HG13      VAL  35  -4.084   7.131  -5.112
  262   HG21  VAL  35          HG21      VAL  35  -2.047  10.674  -6.108
  263   HG22  VAL  35          HG22      VAL  35  -2.760   9.544  -7.259
  264   HG23  VAL  35          HG23      VAL  35  -1.300   9.099  -6.376
  265    H    ILE  36           H        ILE  36  -3.551   9.582  -2.095
  266    HA   ILE  36           HA       ILE  36  -5.997   7.992  -1.778
  267    HB   ILE  36           HB       ILE  36  -3.932   8.839   0.277
  268   HG12  ILE  36          HG13      ILE  36  -4.232   6.201  -1.182
  269   HG13  ILE  36          HG12      ILE  36  -3.088   7.453  -1.647
  270   HG21  ILE  36          HG21      ILE  36  -4.884   6.745   1.414
  271   HG22  ILE  36          HG22      ILE  36  -6.229   6.883   0.284
  272   HG23  ILE  36          HG23      ILE  36  -5.903   8.183   1.431
  273   HD11  ILE  36          HD11      ILE  36  -1.641   6.806  -0.047
  274   HD12  ILE  36          HD12      ILE  36  -2.709   5.444   0.295
  275   HD13  ILE  36          HD13      ILE  36  -2.893   6.955   1.187
  276    H    ASP  37           H        ASP  37  -7.878   9.017  -1.470
  277    HA   ASP  37           HA       ASP  37  -7.911  11.554   0.094
  278    HB2  ASP  37           HB3      ASP  37  -9.772  10.482  -2.045
  279    HB3  ASP  37           HB2      ASP  37 -10.116  11.911  -1.078
  280    H    ALA  38           H        ALA  38 -10.363  11.734   1.037
  281    HA   ALA  38           HA       ALA  38 -10.559   9.789   3.105
  282    HB1  ALA  38           HB1      ALA  38 -12.707  11.609   1.968
  283    HB2  ALA  38           HB2      ALA  38 -11.625  11.992   3.307
  284    HB3  ALA  38           HB3      ALA  38 -12.838  10.725   3.488
  285    H    LEU  39           H        LEU  39 -12.510  10.183   0.148
  286    HA   LEU  39           HA       LEU  39 -13.861   7.642   0.472
  287    HB2  LEU  39           HB3      LEU  39 -13.451   9.264  -2.054
  288    HB3  LEU  39           HB2      LEU  39 -14.670   8.024  -1.796
  289    HG   LEU  39           HG       LEU  39 -14.464  10.682  -0.377
  290   HD11  LEU  39          HD11      LEU  39 -15.581  10.139  -2.795
  291   HD12  LEU  39          HD12      LEU  39 -16.185  11.385  -1.703
  292   HD13  LEU  39          HD13      LEU  39 -16.943   9.793  -1.729
  293   HD21  LEU  39          HD21      LEU  39 -16.073   8.204   0.181
  294   HD22  LEU  39          HD22      LEU  39 -16.742   9.789   0.570
  295   HD23  LEU  39          HD23      LEU  39 -15.234   9.259   1.317
  296    H    GLY  40           H        GLY  40 -10.955   8.836  -1.043
  297    HA2  GLY  40           HA3      GLY  40 -10.286   6.584  -2.632
  298    HA3  GLY  40           HA2      GLY  40  -9.117   7.714  -1.939
  299    H    LEU  41           H        LEU  41  -9.709   7.323   0.787
  300    HA   LEU  41           HA       LEU  41  -8.155   4.988   1.374
  301    HB2  LEU  41           HB3      LEU  41  -8.159   6.823   2.939
  302    HB3  LEU  41           HB2      LEU  41  -9.915   6.751   3.096
  303    HG   LEU  41           HG       LEU  41  -8.558   4.204   3.673
  304   HD11  LEU  41          HD11      LEU  41  -6.853   5.515   4.683
  305   HD12  LEU  41          HD12      LEU  41  -7.943   5.106   6.008
  306   HD13  LEU  41          HD13      LEU  41  -8.011   6.708   5.273
  307   HD21  LEU  41          HD21      LEU  41 -10.187   4.151   5.455
  308   HD22  LEU  41          HD22      LEU  41 -11.001   4.808   4.034
  309   HD23  LEU  41          HD23      LEU  41 -10.466   5.886   5.322
  310    H    LEU  42           H        LEU  42 -11.633   5.687   1.598
  311    HA   LEU  42           HA       LEU  42 -12.421   3.185   2.685
  312    HB2  LEU  42           HB3      LEU  42 -14.031   4.951   2.640
  313    HB3  LEU  42           HB2      LEU  42 -13.851   5.163   0.899
  314    HG   LEU  42           HG       LEU  42 -14.871   2.998   0.478
  315   HD11  LEU  42          HD11      LEU  42 -14.291   1.521   2.148
  316   HD12  LEU  42          HD12      LEU  42 -15.918   1.937   2.684
  317   HD13  LEU  42          HD13      LEU  42 -14.520   2.713   3.429
  318   HD21  LEU  42          HD21      LEU  42 -17.030   3.522   2.103
  319   HD22  LEU  42          HD22      LEU  42 -16.721   4.300   0.550
  320   HD23  LEU  42          HD23      LEU  42 -16.219   5.086   2.046
  321    H    LYS  43           H        LYS  43 -12.074   4.214  -0.708
  322    HA   LYS  43           HA       LYS  43 -12.947   1.754  -1.838
  323    HB2  LYS  43           HB3      LYS  43 -10.986   3.803  -2.888
  324    HB3  LYS  43           HB2      LYS  43 -11.653   2.489  -3.849
  325    HG2  LYS  43           HG3      LYS  43 -13.945   3.344  -3.360
  326    HG3  LYS  43           HG2      LYS  43 -13.221   4.712  -2.515
  327    HD2  LYS  43           HD3      LYS  43 -11.991   5.298  -4.616
  328    HD3  LYS  43           HD2      LYS  43 -12.867   4.009  -5.442
  329    HE2  LYS  43           HE3      LYS  43 -14.376   5.652  -5.900
  330    HE3  LYS  43           HE2      LYS  43 -14.927   5.348  -4.253
  331    HZ1  LYS  43           HZ1      LYS  43 -12.799   7.031  -3.960
  332    HZ2  LYS  43           HZ2      LYS  43 -14.436   7.463  -3.858
  333    HZ3  LYS  43           HZ3      LYS  43 -13.603   7.637  -5.328
  334    H    VAL  44           H        VAL  44  -9.813   2.806  -0.619
  335    HA   VAL  44           HA       VAL  44  -8.220   0.691  -1.644
  336    HB   VAL  44           HB       VAL  44  -7.958   2.323   0.887
  337   HG11  VAL  44          HG11      VAL  44  -6.311   0.108  -0.252
  338   HG12  VAL  44          HG12      VAL  44  -6.559   0.572   1.432
  339   HG13  VAL  44          HG13      VAL  44  -5.454   1.497   0.417
  340   HG21  VAL  44          HG21      VAL  44  -6.740   3.813  -0.374
  341   HG22  VAL  44          HG22      VAL  44  -7.767   3.182  -1.660
  342   HG23  VAL  44          HG23      VAL  44  -6.129   2.561  -1.454
  343    H    ILE  45           H        ILE  45  -9.908   0.970   1.481
  344    HA   ILE  45           HA       ILE  45  -9.169  -1.645   2.397
  345    HB   ILE  45           HB       ILE  45 -11.364   0.283   3.161
  346   HG12  ILE  45          HG13      ILE  45  -9.898   0.133   5.337
  347   HG13  ILE  45          HG12      ILE  45  -8.663  -0.494   4.249
  348   HG21  ILE  45          HG21      ILE  45 -10.780  -2.493   4.154
  349   HG22  ILE  45          HG22      ILE  45 -12.331  -1.780   3.716
  350   HG23  ILE  45          HG23      ILE  45 -11.524  -1.290   5.206
  351   HD11  ILE  45          HD11      ILE  45 -10.151   2.106   3.796
  352   HD12  ILE  45          HD12      ILE  45  -8.771   1.500   2.880
  353   HD13  ILE  45          HD13      ILE  45  -8.565   1.998   4.558
  354    H    ALA  46           H        ALA  46 -11.889  -0.472   0.461
  355    HA   ALA  46           HA       ALA  46 -13.523  -2.804   0.754
  356    HB1  ALA  46           HB1      ALA  46 -14.892  -1.846  -0.845
  357    HB2  ALA  46           HB2      ALA  46 -13.533  -1.240  -1.794
  358    HB3  ALA  46           HB3      ALA  46 -13.998  -0.426  -0.300
  359    H    TRP  47           H        TRP  47 -11.249  -1.929  -1.898
  360    HA   TRP  47           HA       TRP  47 -11.624  -4.580  -3.098
  361    HB2  TRP  47           HB3      TRP  47 -10.863  -3.501  -4.918
  362    HB3  TRP  47           HB2      TRP  47 -10.529  -2.072  -3.937
  363    HD1  TRP  47           HD1      TRP  47  -8.853  -5.467  -4.771
  364    HE1  TRP  47           HE1      TRP  47  -6.297  -5.115  -4.743
  365    HE3  TRP  47           HE3      TRP  47  -8.665  -0.574  -3.406
  366    HZ2  TRP  47           HZ2      TRP  47  -4.420  -3.021  -4.207
  367    HZ3  TRP  47           HZ3      TRP  47  -6.489   0.590  -3.139
  368    HH2  TRP  47           HH2      TRP  47  -4.367  -0.629  -3.541
  369    H    LEU  48           H        LEU  48  -9.013  -2.901  -1.356
  370    HA   LEU  48           HA       LEU  48  -7.098  -4.975  -1.511
  371    HB2  LEU  48           HB3      LEU  48  -6.668  -2.659  -0.656
  372    HB3  LEU  48           HB2      LEU  48  -7.536  -3.082   0.817
  373    HG   LEU  48           HG       LEU  48  -5.930  -4.970   1.149
  374   HD11  LEU  48          HD11      LEU  48  -4.996  -3.957  -1.460
  375   HD12  LEU  48          HD12      LEU  48  -4.817  -5.558  -0.745
  376   HD13  LEU  48          HD13      LEU  48  -3.710  -4.262  -0.293
  377   HD21  LEU  48          HD21      LEU  48  -3.995  -2.841   1.068
  378   HD22  LEU  48          HD22      LEU  48  -4.838  -3.506   2.468
  379   HD23  LEU  48          HD23      LEU  48  -5.561  -2.185   1.550
  380    H    GLU  49           H        GLU  49  -9.696  -4.445   0.886
  381    HA   GLU  49           HA       GLU  49  -8.945  -6.753   2.461
  382    HB2  GLU  49           HB3      GLU  49 -10.881  -6.321   3.739
  383    HB3  GLU  49           HB2      GLU  49 -10.356  -4.729   3.213
  384    HG2  GLU  49           HG3      GLU  49 -12.617  -4.649   2.680
  385    HG3  GLU  49           HG2      GLU  49 -11.934  -5.232   1.166
  386    H    ASP  50           H        ASP  50 -11.193  -6.181  -0.210
  387    HA   ASP  50           HA       ASP  50 -12.592  -8.651  -0.097
  388    HB2  ASP  50           HB3      ASP  50 -13.160  -6.671  -1.546
  389    HB3  ASP  50           HB2      ASP  50 -11.831  -7.149  -2.601
  390    H    ARG  51           H        ARG  51  -9.494  -7.823  -1.606
  391    HA   ARG  51           HA       ARG  51  -9.120 -10.237  -3.043
  392    HB2  ARG  51           HB3      ARG  51  -7.131  -8.332  -1.820
  393    HB3  ARG  51           HB2      ARG  51  -6.679  -9.659  -2.885
  394    HG2  ARG  51           HG3      ARG  51  -8.193  -8.738  -4.631
  395    HG3  ARG  51           HG2      ARG  51  -8.545  -7.374  -3.569
  396    HD2  ARG  51           HD3      ARG  51  -6.797  -6.755  -5.172
  397    HD3  ARG  51           HD2      ARG  51  -6.129  -6.799  -3.540
  398    HE   ARG  51           HE       ARG  51  -4.764  -8.602  -4.216
  399   HH11  ARG  51          HH22      ARG  51  -7.405  -8.092  -6.374
  400   HH12  ARG  51          HH21      ARG  51  -6.849  -9.247  -7.538
  401   HH21  ARG  51          HH11      ARG  51  -4.023 -10.113  -5.722
  402   HH22  ARG  51          HH12      ARG  51  -4.935 -10.392  -7.169
  403    H    PHE  52           H        PHE  52  -8.350  -9.466   0.359
  404    HA   PHE  52           HA       PHE  52  -7.320 -12.234   0.666
  405    HB2  PHE  52           HB3      PHE  52  -7.209  -9.789   2.448
  406    HB3  PHE  52           HB2      PHE  52  -6.658 -11.383   2.955
  407    HD1  PHE  52           HD1      PHE  52  -4.744 -12.482   1.829
  408    HD2  PHE  52           HD2      PHE  52  -5.974  -8.490   0.823
  409    HE1  PHE  52           HE1      PHE  52  -2.590 -12.113   0.659
  410    HE2  PHE  52           HE2      PHE  52  -3.817  -8.123  -0.347
  411    HZ   PHE  52           HZ       PHE  52  -2.125  -9.934  -0.429
  412    H    GLY  53           H        GLY  53 -10.188 -10.479   1.089
  413    HA2  GLY  53           HA3      GLY  53 -12.244 -11.160   2.002
  414    HA3  GLY  53           HA2      GLY  53 -11.514 -12.742   2.296
  415    H    ILE  54           H        ILE  54 -10.178  -9.709   3.475
  416    HA   ILE  54           HA       ILE  54 -10.571 -10.744   6.235
  417    HB   ILE  54           HB       ILE  54  -8.771  -9.151   6.839
  418   HG12  ILE  54          HG13      ILE  54  -8.706  -8.584   3.855
  419   HG13  ILE  54          HG12      ILE  54  -9.334  -7.471   5.070
  420   HG21  ILE  54          HG21      ILE  54  -8.277 -11.041   4.526
  421   HG22  ILE  54          HG22      ILE  54  -8.057 -11.364   6.245
  422   HG23  ILE  54          HG23      ILE  54  -6.970 -10.255   5.410
  423   HD11  ILE  54          HD11      ILE  54  -7.150  -7.358   6.150
  424   HD12  ILE  54          HD12      ILE  54  -6.979  -6.964   4.439
  425   HD13  ILE  54          HD13      ILE  54  -6.507  -8.558   5.028
  426    H    ALA  55           H        ALA  55 -11.446  -9.376   7.866
  427    HA   ALA  55           HA       ALA  55 -13.219  -7.255   6.797
  428    HB1  ALA  55           HB1      ALA  55 -14.448  -8.657   8.212
  429    HB2  ALA  55           HB2      ALA  55 -14.012  -7.334   9.294
  430    HB3  ALA  55           HB3      ALA  55 -13.111  -8.849   9.345
  431    H    ALA  56           H        ALA  56 -12.527  -5.183   6.889
  432    HA   ALA  56           HA       ALA  56 -10.141  -4.394   8.278
  433    HB1  ALA  56           HB1      ALA  56 -10.828  -3.144   6.338
  434    HB2  ALA  56           HB2      ALA  56 -10.936  -2.058   7.722
  435    HB3  ALA  56           HB3      ALA  56 -12.398  -2.787   7.057
  436    H    ASP  57           H        ASP  57 -13.534  -4.435   9.143
  437    HA   ASP  57           HA       ASP  57 -13.556  -2.612  11.294
  438    HB2  ASP  57           HB3      ASP  57 -15.546  -3.817  10.320
  439    HB3  ASP  57           HB2      ASP  57 -15.039  -5.238  11.231
  440    H    ASP  58           H        ASP  58 -12.415  -5.958  11.189
  441    HA   ASP  58           HA       ASP  58 -12.173  -6.465  13.945
  442    HB2  ASP  58           HB3      ASP  58 -10.365  -7.281  11.668
  443    HB3  ASP  58           HB2      ASP  58 -10.235  -7.937  13.298
  444    H    VAL  59           H        VAL  59 -10.014  -4.647  11.806
  445    HA   VAL  59           HA       VAL  59  -8.616  -3.637  14.248
  446    HB   VAL  59           HB       VAL  59  -7.363  -4.158  11.547
  447   HG11  VAL  59          HG11      VAL  59  -6.559  -2.659  13.920
  448   HG12  VAL  59          HG12      VAL  59  -5.834  -2.681  12.312
  449   HG13  VAL  59          HG13      VAL  59  -5.392  -3.913  13.496
  450   HG21  VAL  59          HG21      VAL  59  -7.452  -5.724  14.116
  451   HG22  VAL  59          HG22      VAL  59  -6.051  -5.851  13.053
  452   HG23  VAL  59          HG23      VAL  59  -7.650  -6.302  12.461
  453    H    GLU  60           H        GLU  60  -8.422  -1.411  14.348
  454    HA   GLU  60           HA       GLU  60  -9.797   0.130  12.247
  455    HB2  GLU  60           HB3      GLU  60 -10.111   0.625  14.691
  456    HB3  GLU  60           HB2      GLU  60  -8.427   1.130  14.761
  457    HG2  GLU  60           HG3      GLU  60  -8.893   2.809  12.993
  458    HG3  GLU  60           HG2      GLU  60 -10.590   2.348  13.041
  459    H    LEU  61           H        LEU  61  -8.717   1.159  10.619
  460    HA   LEU  61           HA       LEU  61  -5.761   1.131  10.705
  461    HB2  LEU  61           HB3      LEU  61  -7.624   1.756   8.399
  462    HB3  LEU  61           HB2      LEU  61  -5.892   1.475   8.305
  463    HG   LEU  61           HG       LEU  61  -7.975  -0.529   9.178
  464   HD11  LEU  61          HD11      LEU  61  -6.627  -1.649   7.104
  465   HD12  LEU  61          HD12      LEU  61  -6.555   0.051   6.644
  466   HD13  LEU  61          HD13      LEU  61  -8.116  -0.725   6.906
  467   HD21  LEU  61          HD21      LEU  61  -4.979  -0.497   9.285
  468   HD22  LEU  61          HD22      LEU  61  -5.800  -2.023   8.953
  469   HD23  LEU  61          HD23      LEU  61  -6.129  -1.151  10.451
  470    H    SER  62           H        SER  62  -4.554   3.018  10.587
  471    HA   SER  62           HA       SER  62  -6.074   5.552  10.894
  472    HB2  SER  62           HB3      SER  62  -4.101   4.502  12.476
  473    HB3  SER  62           HB2      SER  62  -3.167   5.532  11.402
  474    HG   SER  62           HG       SER  62  -4.505   6.279  13.493
  475    HA   PRO  63           HA       PRO  63  -4.828   6.957   6.903
  476    HB2  PRO  63           HB2      PRO  63  -3.880   9.522   7.602
  477    HB3  PRO  63           HB3      PRO  63  -5.538   9.102   7.140
  478    HG2  PRO  63           HG3      PRO  63  -4.370   9.524   9.822
  479    HG3  PRO  63           HG2      PRO  63  -6.018   9.817   9.242
  480    HD2  PRO  63           HD3      PRO  63  -5.405   7.716  10.838
  481    HD3  PRO  63           HD2      PRO  63  -6.682   7.621   9.604
  482    H    GLU  64           H        GLU  64  -2.572   7.059   9.560
  483    HA   GLU  64           HA       GLU  64  -0.224   7.759   8.049
  484    HB2  GLU  64           HB3      GLU  64  -0.526   6.251  10.650
  485    HB3  GLU  64           HB2      GLU  64   0.990   6.874  10.022
  486    HG2  GLU  64           HG3      GLU  64   0.025   9.156  10.037
  487    HG3  GLU  64           HG2      GLU  64  -1.441   8.502  10.759
  488    H    HIS  65           H        HIS  65  -1.964   4.791   8.633
  489    HA   HIS  65           HA       HIS  65   0.129   2.985   7.896
  490    HB2  HIS  65           HB3      HIS  65  -1.784   2.062   8.987
  491    HB3  HIS  65           HB2      HIS  65  -2.882   2.770   7.800
  492    HD1  HIS  65           HD1      HIS  65  -3.833   0.587   6.869
  493    HD2  HIS  65           HD2      HIS  65   0.333   0.733   6.729
  494    HE1  HIS  65           HE1      HIS  65  -3.093  -1.384   5.457
  495    HE2  HIS  65           HE2      HIS  65  -0.560  -1.304   5.369
  496    H    PHE  66           H        PHE  66  -1.884   5.106   6.083
  497    HA   PHE  66           HA       PHE  66  -1.291   3.687   3.560
  498    HB2  PHE  66           HB3      PHE  66  -2.895   6.227   3.920
  499    HB3  PHE  66           HB2      PHE  66  -2.912   5.135   2.538
  500    HD1  PHE  66           HD1      PHE  66  -3.588   5.208   6.217
  501    HD2  PHE  66           HD2      PHE  66  -4.490   3.401   2.428
  502    HE1  PHE  66           HE1      PHE  66  -5.410   3.904   7.275
  503    HE2  PHE  66           HE2      PHE  66  -6.312   2.093   3.490
  504    HZ   PHE  66           HZ       PHE  66  -6.768   2.352   5.915
  505    H    ARG  67           H        ARG  67   0.542   5.393   5.378
  506    HA   ARG  67           HA       ARG  67   1.308   7.772   4.101
  507    HB2  ARG  67           HB3      ARG  67   3.446   7.459   5.221
  508    HB3  ARG  67           HB2      ARG  67   2.150   6.922   6.287
  509    HG2  ARG  67           HG3      ARG  67   2.665   4.621   4.934
  510    HG3  ARG  67           HG2      ARG  67   4.267   5.347   4.938
  511    HD2  ARG  67           HD3      ARG  67   3.540   5.750   7.534
  512    HD3  ARG  67           HD2      ARG  67   2.672   4.256   7.178
  513    HE   ARG  67           HE       ARG  67   4.749   3.142   7.020
  514   HH11  ARG  67          HH22      ARG  67   5.075   6.573   6.992
  515   HH12  ARG  67          HH21      ARG  67   6.802   6.545   7.135
  516   HH21  ARG  67          HH11      ARG  67   7.004   3.086   7.209
  517   HH22  ARG  67          HH12      ARG  67   7.892   4.571   7.259
  518    H    SER  68           H        SER  68   2.152   4.410   3.275
  519    HA   SER  68           HA       SER  68   2.938   5.306   0.601
  520    HB2  SER  68           HB3      SER  68   5.200   4.432   0.670
  521    HB3  SER  68           HB2      SER  68   5.023   5.608   1.967
  522    HG   SER  68           HG       SER  68   4.696   2.798   2.237
  523    H    ILE  69           H        ILE  69   3.340   3.479  -0.844
  524    HA   ILE  69           HA       ILE  69   1.494   1.356  -0.543
  525    HB   ILE  69           HB       ILE  69   4.004   1.321  -2.234
  526   HG12  ILE  69          HG13      ILE  69   1.936   2.208  -3.837
  527   HG13  ILE  69          HG12      ILE  69   1.638   3.057  -2.321
  528   HG21  ILE  69          HG21      ILE  69   1.815  -0.455  -1.898
  529   HG22  ILE  69          HG22      ILE  69   3.113  -0.553  -3.088
  530   HG23  ILE  69          HG23      ILE  69   1.626   0.312  -3.474
  531   HD11  ILE  69          HD11      ILE  69   4.185   3.586  -2.380
  532   HD12  ILE  69          HD12      ILE  69   3.114   4.498  -3.444
  533   HD13  ILE  69          HD13      ILE  69   4.071   3.164  -4.089
  534    H    ARG  70           H        ARG  70   4.893   1.686   0.274
  535    HA   ARG  70           HA       ARG  70   5.591  -1.004   0.752
  536    HB2  ARG  70           HB3      ARG  70   6.432   1.459   2.307
  537    HB3  ARG  70           HB2      ARG  70   7.296  -0.077   2.268
  538    HG2  ARG  70           HG3      ARG  70   7.929   0.201   0.019
  539    HG3  ARG  70           HG2      ARG  70   6.683   1.418  -0.274
  540    HD2  ARG  70           HD3      ARG  70   8.884   2.490  -0.081
  541    HD3  ARG  70           HD2      ARG  70   7.854   2.973   1.263
  542    HE   ARG  70           HE       ARG  70   9.288   1.781   2.727
  543   HH11  ARG  70          HH22      ARG  70   9.877   1.068  -0.594
  544   HH12  ARG  70          HH21      ARG  70  11.337   0.188  -0.284
  545   HH21  ARG  70          HH11      ARG  70  11.192   0.636   3.151
  546   HH22  ARG  70          HH12      ARG  70  12.080  -0.056   1.835
  547    H    SER  71           H        SER  71   4.047   1.354   2.933
  548    HA   SER  71           HA       SER  71   3.961  -0.415   5.199
  549    HB2  SER  71           HB3      SER  71   2.508   1.229   6.184
  550    HB3  SER  71           HB2      SER  71   3.723   2.098   5.258
  551    HG   SER  71           HG       SER  71   1.462   1.352   3.857
  552    H    ILE  72           H        ILE  72   1.720   0.221   2.526
  553    HA   ILE  72           HA       ILE  72  -0.495  -1.211   3.621
  554    HB   ILE  72           HB       ILE  72   0.237  -0.780   0.713
  555   HG12  ILE  72          HG13      ILE  72  -1.420   0.912   2.615
  556   HG13  ILE  72          HG12      ILE  72   0.180   1.330   2.001
  557   HG21  ILE  72          HG21      ILE  72  -2.168  -1.028   0.337
  558   HG22  ILE  72          HG22      ILE  72  -2.428  -1.269   2.065
  559   HG23  ILE  72          HG23      ILE  72  -1.532  -2.466   1.133
  560   HD11  ILE  72          HD11      ILE  72  -0.772   1.152  -0.336
  561   HD12  ILE  72          HD12      ILE  72  -1.430   2.478   0.623
  562   HD13  ILE  72          HD13      ILE  72  -2.368   1.001   0.398
  563    H    ASP  73           H        ASP  73   2.055  -2.225   1.328
  564    HA   ASP  73           HA       ASP  73   1.146  -4.902   1.004
  565    HB2  ASP  73           HB3      ASP  73   2.988  -3.672  -0.295
  566    HB3  ASP  73           HB2      ASP  73   4.056  -4.084   1.043
  567    H    ALA  74           H        ALA  74   3.390  -3.473   3.357
  568    HA   ALA  74           HA       ALA  74   4.034  -5.937   4.671
  569    HB1  ALA  74           HB1      ALA  74   4.295  -3.950   6.590
  570    HB2  ALA  74           HB2      ALA  74   4.502  -3.081   5.069
  571    HB3  ALA  74           HB3      ALA  74   5.547  -4.450   5.450
  572    H    PHE  75           H        PHE  75   1.603  -3.432   5.359
  573    HA   PHE  75           HA       PHE  75   0.622  -4.610   7.765
  574    HB2  PHE  75           HB3      PHE  75   0.100  -2.296   6.991
  575    HB3  PHE  75           HB2      PHE  75  -0.942  -2.989   5.751
  576    HD1  PHE  75           HD1      PHE  75  -0.432  -2.676   9.416
  577    HD2  PHE  75           HD2      PHE  75  -3.122  -3.828   6.271
  578    HE1  PHE  75           HE1      PHE  75  -2.281  -2.852  11.060
  579    HE2  PHE  75           HE2      PHE  75  -4.970  -4.003   7.915
  580    HZ   PHE  75           HZ       PHE  75  -4.549  -3.515  10.309
  581    H    VAL  76           H        VAL  76  -0.439  -4.999   4.377
  582    HA   VAL  76           HA       VAL  76  -2.580  -6.801   4.959
  583    HB   VAL  76           HB       VAL  76  -0.880  -6.511   2.463
  584   HG11  VAL  76          HG11      VAL  76  -2.048  -8.252   1.665
  585   HG12  VAL  76          HG12      VAL  76  -3.533  -7.334   1.910
  586   HG13  VAL  76          HG13      VAL  76  -2.929  -8.389   3.185
  587   HG21  VAL  76          HG21      VAL  76  -3.623  -5.473   2.473
  588   HG22  VAL  76          HG22      VAL  76  -2.131  -4.689   1.951
  589   HG23  VAL  76          HG23      VAL  76  -2.586  -4.673   3.655
  590    H    VAL  77           H        VAL  77   0.826  -7.396   3.996
  591    HA   VAL  77           HA       VAL  77   0.576 -10.263   4.122
  592    HB   VAL  77           HB       VAL  77   2.956  -8.394   4.219
  593   HG11  VAL  77          HG11      VAL  77   2.731 -11.343   4.543
  594   HG12  VAL  77          HG12      VAL  77   3.936 -10.228   5.185
  595   HG13  VAL  77          HG13      VAL  77   4.025 -10.749   3.503
  596   HG21  VAL  77          HG21      VAL  77   1.385  -8.830   2.127
  597   HG22  VAL  77          HG22      VAL  77   2.309 -10.328   2.019
  598   HG23  VAL  77          HG23      VAL  77   3.137  -8.774   1.931
  599    H    GLY  78           H        GLY  78   1.850  -7.826   6.381
  600    HA2  GLY  78           HA3      GLY  78   2.608  -9.660   8.433
  601    HA3  GLY  78           HA2      GLY  78   2.281  -7.947   8.676
  602    H    ALA  79           H        ALA  79  -0.481  -8.181   7.622
  603    HA   ALA  79           HA       ALA  79  -1.794  -8.740  10.109
  604    HB1  ALA  79           HB1      ALA  79  -3.032  -7.251   8.859
  605    HB2  ALA  79           HB2      ALA  79  -3.866  -8.744   8.425
  606    HB3  ALA  79           HB3      ALA  79  -2.660  -8.060   7.336
  607    H    THR  80           H        THR  80  -1.454 -10.641   7.122
  608    HA   THR  80           HA       THR  80  -3.110 -12.801   8.219
  609    HB   THR  80           HB       THR  80  -2.644 -13.949   6.119
  610    HG1  THR  80           HG1      THR  80  -0.871 -13.540   5.105
  611   HG21  THR  80          HG21      THR  80  -4.059 -11.647   6.361
  612   HG22  THR  80          HG22      THR  80  -3.960 -12.573   4.864
  613   HG23  THR  80          HG23      THR  80  -2.910 -11.178   5.108
  614    H    THR  81           H        THR  81   0.281 -12.012   7.931
  615    HA   THR  81           HA       THR  81   0.897 -14.498   9.437
  616    HB   THR  81           HB       THR  81   3.178 -14.112   8.027
  617    HG1  THR  81           HG1      THR  81   2.077 -12.424   6.856
  618   HG21  THR  81          HG21      THR  81   0.711 -15.677   7.251
  619   HG22  THR  81          HG22      THR  81   2.076 -16.250   8.209
  620   HG23  THR  81          HG23      THR  81   2.287 -15.904   6.492
  621    HA   PRO  82           HA       PRO  82   3.015 -11.877  12.284
  622    HB2  PRO  82           HB2      PRO  82   5.298 -13.400  12.766
  623    HB3  PRO  82           HB3      PRO  82   3.732 -13.621  13.568
  624    HG2  PRO  82           HG3      PRO  82   4.935 -15.130  11.315
  625    HG3  PRO  82           HG2      PRO  82   3.900 -15.697  12.636
  626    HD2  PRO  82           HD3      PRO  82   2.952 -15.325  10.116
  627    HD3  PRO  82           HD2      PRO  82   1.943 -15.071  11.558
  628    HA   PRO  83           HA       PRO  83   5.866 -10.058   9.213
  629    HB2  PRO  83           HB2      PRO  83   5.748  -7.492  10.131
  630    HB3  PRO  83           HB3      PRO  83   4.528  -8.212   9.068
  631    HG2  PRO  83           HG3      PRO  83   4.424  -7.671  11.972
  632    HG3  PRO  83           HG2      PRO  83   3.124  -7.661  10.773
  633    HD2  PRO  83           HD3      PRO  83   3.622  -9.722  12.588
  634    HD3  PRO  83           HD2      PRO  83   2.648  -9.873  11.110
  635    H    VAL  84           H        VAL  84   8.001  -9.278   9.274
  636    HA   VAL  84           HA       VAL  84   9.320  -9.499  11.942
  637    HB   VAL  84           HB       VAL  84  10.552  -9.569   9.168
  638   HG11  VAL  84          HG11      VAL  84  12.297 -10.803  10.858
  639   HG12  VAL  84          HG12      VAL  84  11.609  -9.587  11.935
  640   HG13  VAL  84          HG13      VAL  84  12.393  -9.094  10.433
  641   HG21  VAL  84          HG21      VAL  84   9.414 -11.589   9.223
  642   HG22  VAL  84          HG22      VAL  84   9.443 -11.675  10.984
  643   HG23  VAL  84          HG23      VAL  84  10.895 -12.057  10.058
  644    H    GLU  85           H        GLU  85  10.295  -7.683  12.813
  645    HA   GLU  85           HA       GLU  85  10.628  -5.355  13.055
  646    HB2  GLU  85           HB3      GLU  85  11.851  -5.851  10.320
  647    HB3  GLU  85           HB2      GLU  85  12.154  -4.434  11.326
  648    HG2  GLU  85           HG3      GLU  85  13.023  -5.922  13.119
  649    HG3  GLU  85           HG2      GLU  85  12.786  -7.309  12.056
  650    H    ALA  86           H        ALA  86   8.161  -5.235  12.744
  651    HA   ALA  86           HA       ALA  86   6.871  -4.614  10.346
  652    HB1  ALA  86           HB1      ALA  86   5.753  -4.878  12.569
  653    HB2  ALA  86           HB2      ALA  86   5.201  -3.455  11.687
  654    HB3  ALA  86           HB3      ALA  86   6.345  -3.278  13.017
  655    H    LYS  87           H        LYS  87   6.470  -2.673   9.215
  656    HA   LYS  87           HA       LYS  87   8.624  -0.856   8.943
  657    HB2  LYS  87           HB3      LYS  87   6.694  -1.271   7.313
  658    HB3  LYS  87           HB2      LYS  87   5.740  -0.182   8.320
  659    HG2  LYS  87           HG3      LYS  87   7.465   1.584   8.001
  660    HG3  LYS  87           HG2      LYS  87   8.347   0.498   6.928
  661    HD2  LYS  87           HD3      LYS  87   6.234   0.336   5.532
  662    HD3  LYS  87           HD2      LYS  87   5.579   1.646   6.514
  663    HE2  LYS  87           HE3      LYS  87   7.466   1.781   4.313
  664    HE3  LYS  87           HE2      LYS  87   6.600   3.089   5.115
  665    HZ1  LYS  87           HZ1      LYS  87   8.835   3.518   5.537
  666    HZ2  LYS  87           HZ2      LYS  87   9.203   1.889   5.836
  667    HZ3  LYS  87           HZ3      LYS  87   8.297   2.775   6.966
  668    H    LEU  88           H        LEU  88   8.633   1.481   9.495
  669    HA   LEU  88           HA       LEU  88   8.324   2.001  12.232
  670    HB2  LEU  88           HB3      LEU  88   8.070   4.038   9.999
  671    HB3  LEU  88           HB2      LEU  88   8.536   4.365  11.668
  672    HG   LEU  88           HG       LEU  88  10.071   2.648   9.695
  673   HD11  LEU  88          HD11      LEU  88  11.669   4.406   9.635
  674   HD12  LEU  88          HD12      LEU  88  10.946   5.214  11.026
  675   HD13  LEU  88          HD13      LEU  88  10.108   5.210   9.474
  676   HD21  LEU  88          HD21      LEU  88  10.598   1.652  11.722
  677   HD22  LEU  88          HD22      LEU  88  10.290   3.123  12.643
  678   HD23  LEU  88          HD23      LEU  88  11.779   2.962  11.712
  679    H    GLN  89           H        GLN  89   5.983   2.475   9.604
  680    HA   GLN  89           HA       GLN  89   3.850   2.657  11.661
  681    HB2  GLN  89           HB3      GLN  89   4.248   4.663   9.420
  682    HB3  GLN  89           HB2      GLN  89   2.803   4.563  10.428
  683    HG2  GLN  89           HG3      GLN  89   4.162   4.980  12.438
  684    HG3  GLN  89           HG2      GLN  89   5.619   5.054  11.446
  685   HE21  GLN  89          HE22      GLN  89   4.835   7.303  13.007
  686   HE22  GLN  89          HE21      GLN  89   4.346   8.548  11.962
  Start of MODEL    4
    1    H1   SER  -1           H1       SER  -1  12.647  -0.434   3.181
    2    H2   SER  -1           H2       SER  -1  13.304  -1.975   2.899
    3    H3   SER  -1           H3       SER  -1  11.738  -1.820   3.540
    4    HA   SER  -1           HA       SER  -1  11.181  -0.569   1.405
    5    HB2  SER  -1           HB3      SER  -1  13.907  -1.671   0.891
    6    HB3  SER  -1           HB2      SER  -1  12.738  -1.744  -0.426
    7    HG   SER  -1           HG       SER  -1  12.762   0.645   0.921
    8    H    GLU   0           H        GLU   0  11.179  -3.205   3.166
    9    HA   GLU   0           HA       GLU   0  10.751  -5.411   1.430
   10    HB2  GLU   0           HB3      GLU   0   9.446  -4.805   4.102
   11    HB3  GLU   0           HB2      GLU   0   9.452  -6.380   3.308
   12    HG2  GLU   0           HG3      GLU   0  11.938  -6.369   3.352
   13    HG3  GLU   0           HG2      GLU   0  11.896  -4.835   4.223
   14    H    MET   1           H        MET   1   8.860  -6.211   0.429
   15    HA   MET   1           HA       MET   1   6.250  -5.139   0.755
   16    HB2  MET   1           HB3      MET   1   6.146  -3.926  -1.495
   17    HB3  MET   1           HB2      MET   1   6.965  -3.073  -0.190
   18    HG2  MET   1           HG3      MET   1   9.140  -4.075  -1.082
   19    HG3  MET   1           HG2      MET   1   8.222  -4.564  -2.503
   20    HE1  MET   1           HE1      MET   1   9.990  -1.754  -4.162
   21    HE2  MET   1           HE2      MET   1   9.871  -3.482  -3.804
   22    HE3  MET   1           HE3      MET   1  10.805  -2.424  -2.750
   23    H    GLN   2           H        GLN   2   5.379  -7.116   0.379
   24    HA   GLN   2           HA       GLN   2   6.332  -8.770  -1.867
   25    HB2  GLN   2           HB3      GLN   2   5.760  -9.763   0.364
   26    HB3  GLN   2           HB2      GLN   2   4.079  -9.304   0.091
   27    HG2  GLN   2           HG3      GLN   2   4.283 -11.593  -0.600
   28    HG3  GLN   2           HG2      GLN   2   4.186 -10.629  -2.074
   29   HE21  GLN   2          HE22      GLN   2   5.522 -11.802  -3.506
   30   HE22  GLN   2          HE21      GLN   2   7.143 -12.192  -3.185
   31    H    HIS   3           H        HIS   3   5.370  -8.757  -3.836
   32    HA   HIS   3           HA       HIS   3   3.826  -8.305  -5.537
   33    HB2  HIS   3           HB3      HIS   3   1.764  -8.452  -3.319
   34    HB3  HIS   3           HB2      HIS   3   1.490  -8.693  -5.042
   35    HD1  HIS   3           HD1      HIS   3   0.850 -10.944  -2.986
   36    HD2  HIS   3           HD2      HIS   3   4.443 -10.635  -5.084
   37    HE1  HIS   3           HE1      HIS   3   1.862 -13.268  -3.024
   38    HE2  HIS   3           HE2      HIS   3   4.048 -13.091  -4.298
   39    H    ALA   4           H        ALA   4   5.068  -6.059  -4.194
   40    HA   ALA   4           HA       ALA   4   3.199  -4.005  -3.531
   41    HB1  ALA   4           HB1      ALA   4   5.089  -2.826  -3.184
   42    HB2  ALA   4           HB2      ALA   4   5.545  -2.962  -4.882
   43    HB3  ALA   4           HB3      ALA   4   5.994  -4.232  -3.745
   44    H    SER   5           H        SER   5   4.452  -5.151  -6.624
   45    HA   SER   5           HA       SER   5   3.648  -2.991  -8.267
   46    HB2  SER   5           HB3      SER   5   5.024  -4.959  -9.003
   47    HB3  SER   5           HB2      SER   5   3.555  -5.931  -8.997
   48    HG   SER   5           HG       SER   5   4.004  -5.054 -11.065
   49    H    VAL   6           H        VAL   6   1.783  -5.736  -7.021
   50    HA   VAL   6           HA       VAL   6  -0.573  -5.272  -8.572
   51    HB   VAL   6           HB       VAL   6  -0.207  -6.508  -5.841
   52   HG11  VAL   6          HG11      VAL   6  -2.475  -6.020  -5.795
   53   HG12  VAL   6          HG12      VAL   6  -2.502  -7.573  -6.630
   54   HG13  VAL   6          HG13      VAL   6  -2.625  -6.074  -7.552
   55   HG21  VAL   6          HG21      VAL   6   0.655  -7.429  -8.248
   56   HG22  VAL   6          HG22      VAL   6  -0.982  -8.087  -8.229
   57   HG23  VAL   6          HG23      VAL   6   0.145  -8.489  -6.932
   58    H    ILE   7           H        ILE   7   0.383  -4.124  -5.346
   59    HA   ILE   7           HA       ILE   7  -1.984  -2.648  -4.770
   60    HB   ILE   7           HB       ILE   7   0.872  -2.015  -3.964
   61   HG12  ILE   7          HG13      ILE   7  -1.222  -3.610  -2.462
   62   HG13  ILE   7          HG12      ILE   7   0.035  -4.355  -3.451
   63   HG21  ILE   7          HG21      ILE   7  -1.773  -1.298  -2.661
   64   HG22  ILE   7          HG22      ILE   7  -0.765  -0.180  -3.581
   65   HG23  ILE   7          HG23      ILE   7  -0.170  -0.863  -2.067
   66   HD11  ILE   7          HD11      ILE   7   1.484  -4.175  -1.745
   67   HD12  ILE   7          HD12      ILE   7   0.235  -3.416  -0.759
   68   HD13  ILE   7          HD13      ILE   7   1.288  -2.422  -1.766
   69    H    ALA   8           H        ALA   8   1.012  -1.724  -6.438
   70    HA   ALA   8           HA       ALA   8   0.373   1.017  -6.840
   71    HB1  ALA   8           HB1      ALA   8   2.220   1.070  -8.238
   72    HB2  ALA   8           HB2      ALA   8   1.858  -0.505  -8.945
   73    HB3  ALA   8           HB3      ALA   8   2.563  -0.404  -7.330
   74    H    GLN   9           H        GLN   9  -0.489  -1.899  -8.644
   75    HA   GLN   9           HA       GLN   9  -1.600  -0.583 -10.928
   76    HB2  GLN   9           HB3      GLN   9  -1.052  -3.028 -10.784
   77    HB3  GLN   9           HB2      GLN   9  -2.462  -3.234  -9.746
   78    HG2  GLN   9           HG3      GLN   9  -3.890  -2.280 -11.554
   79    HG3  GLN   9           HG2      GLN   9  -2.469  -2.201 -12.597
   80   HE21  GLN   9          HE22      GLN   9  -4.952  -4.301 -11.378
   81   HE22  GLN   9          HE21      GLN   9  -4.389  -5.731 -12.099
   82    H    PHE  10           H        PHE  10  -3.069  -1.611  -7.847
   83    HA   PHE  10           HA       PHE  10  -5.751  -0.913  -8.563
   84    HB2  PHE  10           HB3      PHE  10  -4.318  -1.239  -5.941
   85    HB3  PHE  10           HB2      PHE  10  -5.981  -0.654  -5.980
   86    HD1  PHE  10           HD1      PHE  10  -7.751  -2.058  -7.135
   87    HD2  PHE  10           HD2      PHE  10  -3.820  -3.543  -6.245
   88    HE1  PHE  10           HE1      PHE  10  -8.573  -4.383  -7.385
   89    HE2  PHE  10           HE2      PHE  10  -4.644  -5.869  -6.497
   90    HZ   PHE  10           HZ       PHE  10  -7.019  -6.289  -7.063
   91    H    VAL  11           H        VAL  11  -3.322   0.964  -6.720
   92    HA   VAL  11           HA       VAL  11  -4.986   3.278  -6.459
   93    HB   VAL  11           HB       VAL  11  -3.022   3.035  -5.055
   94   HG11  VAL  11          HG11      VAL  11  -1.306   3.424  -7.507
   95   HG12  VAL  11          HG12      VAL  11  -1.735   1.823  -6.912
   96   HG13  VAL  11          HG13      VAL  11  -0.803   2.920  -5.894
   97   HG21  VAL  11          HG21      VAL  11  -3.781   5.353  -6.249
   98   HG22  VAL  11          HG22      VAL  11  -2.093   5.282  -6.757
   99   HG23  VAL  11          HG23      VAL  11  -2.499   5.264  -5.040
  100    H    VAL  12           H        VAL  12  -2.616   2.332  -8.941
  101    HA   VAL  12           HA       VAL  12  -2.750   4.766 -10.439
  102    HB   VAL  12           HB       VAL  12  -2.146   1.934 -11.310
  103   HG11  VAL  12          HG11      VAL  12  -1.781   4.562 -12.775
  104   HG12  VAL  12          HG12      VAL  12  -2.846   3.241 -13.254
  105   HG13  VAL  12          HG13      VAL  12  -1.098   3.023 -13.296
  106   HG21  VAL  12          HG21      VAL  12  -0.025   2.324 -10.610
  107   HG22  VAL  12          HG22      VAL  12  -0.713   3.663  -9.692
  108   HG23  VAL  12          HG23      VAL  12  -0.019   3.953 -11.286
  109    H    GLU  13           H        GLU  13  -4.576   1.707 -10.737
  110    HA   GLU  13           HA       GLU  13  -6.220   2.659 -12.911
  111    HB2  GLU  13           HB3      GLU  13  -6.563   0.389 -10.952
  112    HB3  GLU  13           HB2      GLU  13  -7.635   0.675 -12.314
  113    HG2  GLU  13           HG3      GLU  13  -5.701   0.520 -13.852
  114    HG3  GLU  13           HG2      GLU  13  -4.664   0.157 -12.477
  115    H    GLU  14           H        GLU  14  -6.364   2.911  -9.450
  116    HA   GLU  14           HA       GLU  14  -9.151   3.458  -9.168
  117    HB2  GLU  14           HB3      GLU  14  -7.599   2.935  -7.282
  118    HB3  GLU  14           HB2      GLU  14  -6.882   4.536  -7.476
  119    HG2  GLU  14           HG3      GLU  14  -9.131   5.549  -7.106
  120    HG3  GLU  14           HG2      GLU  14  -9.777   3.936  -6.805
  121    H    PHE  15           H        PHE  15  -6.449   5.531 -10.116
  122    HA   PHE  15           HA       PHE  15  -8.453   7.693 -10.596
  123    HB2  PHE  15           HB3      PHE  15  -7.186   8.143  -8.490
  124    HB3  PHE  15           HB2      PHE  15  -5.694   8.144  -9.430
  125    HD1  PHE  15           HD1      PHE  15  -9.019   9.808  -9.110
  126    HD2  PHE  15           HD2      PHE  15  -5.012  10.066 -10.630
  127    HE1  PHE  15           HE1      PHE  15  -9.402  12.182  -9.714
  128    HE2  PHE  15           HE2      PHE  15  -5.395  12.440 -11.239
  129    HZ   PHE  15           HZ       PHE  15  -7.590  13.498 -10.780
  130    H    LEU  16           H        LEU  16  -5.154   6.517 -11.340
  131    HA   LEU  16           HA       LEU  16  -5.422   7.875 -13.994
  132    HB2  LEU  16           HB3      LEU  16  -3.159   7.604 -12.087
  133    HB3  LEU  16           HB2      LEU  16  -2.775   7.504 -13.805
  134    HG   LEU  16           HG       LEU  16  -4.575   9.695 -12.834
  135   HD11  LEU  16          HD11      LEU  16  -2.627   9.779 -11.334
  136   HD12  LEU  16          HD12      LEU  16  -2.583  11.123 -12.474
  137   HD13  LEU  16          HD13      LEU  16  -1.543   9.721 -12.725
  138   HD21  LEU  16          HD21      LEU  16  -2.444  10.101 -14.857
  139   HD22  LEU  16          HD22      LEU  16  -4.130  10.617 -14.880
  140   HD23  LEU  16          HD23      LEU  16  -3.711   8.958 -15.304
  141    HA   PRO  17           HA       PRO  17  -5.110   3.318 -14.770
  142    HB2  PRO  17           HB2      PRO  17  -7.114   3.201 -16.631
  143    HB3  PRO  17           HB3      PRO  17  -7.385   3.028 -14.889
  144    HG2  PRO  17           HG3      PRO  17  -7.904   5.334 -16.661
  145    HG3  PRO  17           HG2      PRO  17  -8.757   4.810 -15.202
  146    HD2  PRO  17           HD3      PRO  17  -6.936   6.917 -15.331
  147    HD3  PRO  17           HD2      PRO  17  -7.440   6.090 -13.845
  148    H    ASP  18           H        ASP  18  -4.888   6.155 -16.694
  149    HA   ASP  18           HA       ASP  18  -3.991   4.704 -19.101
  150    HB2  ASP  18           HB3      ASP  18  -5.357   6.800 -19.259
  151    HB3  ASP  18           HB2      ASP  18  -3.997   7.678 -18.563
  152    H    VAL  19           H        VAL  19  -2.582   5.216 -16.242
  153    HA   VAL  19           HA       VAL  19   0.081   5.918 -17.415
  154    HB   VAL  19           HB       VAL  19  -0.805   6.025 -14.516
  155   HG11  VAL  19          HG11      VAL  19   1.598   5.658 -14.767
  156   HG12  VAL  19          HG12      VAL  19   1.310   7.322 -14.255
  157   HG13  VAL  19          HG13      VAL  19   1.700   6.972 -15.939
  158   HG21  VAL  19          HG21      VAL  19  -1.933   7.697 -16.004
  159   HG22  VAL  19          HG22      VAL  19  -0.343   8.285 -16.488
  160   HG23  VAL  19          HG23      VAL  19  -0.869   8.444 -14.812
  161    H    ALA  20           H        ALA  20   1.701   4.406 -17.300
  162    HA   ALA  20           HA       ALA  20   1.028   1.690 -16.569
  163    HB1  ALA  20           HB1      ALA  20   3.356   1.189 -17.168
  164    HB2  ALA  20           HB2      ALA  20   3.729   2.912 -17.193
  165    HB3  ALA  20           HB3      ALA  20   2.619   2.233 -18.384
  166    HA   PRO  21           HA       PRO  21   1.863   2.379 -12.140
  167    HB2  PRO  21           HB2      PRO  21   2.142  -0.587 -12.184
  168    HB3  PRO  21           HB3      PRO  21   1.159   0.437 -11.121
  169    HG2  PRO  21           HG3      PRO  21   0.091  -1.005 -13.108
  170    HG3  PRO  21           HG2      PRO  21  -0.563   0.564 -12.610
  171    HD2  PRO  21           HD3      PRO  21   0.966  -0.137 -15.061
  172    HD3  PRO  21           HD2      PRO  21  -0.211   1.167 -14.787
  173    H    ALA  22           H        ALA  22   3.827   0.499 -14.359
  174    HA   ALA  22           HA       ALA  22   6.063   0.029 -12.629
  175    HB1  ALA  22           HB1      ALA  22   7.009  -0.911 -14.470
  176    HB2  ALA  22           HB2      ALA  22   6.685   0.504 -15.473
  177    HB3  ALA  22           HB3      ALA  22   5.417  -0.689 -15.195
  178    H    ASP  23           H        ASP  23   4.960   2.858 -14.328
  179    HA   ASP  23           HA       ASP  23   7.555   4.219 -14.136
  180    HB2  ASP  23           HB3      ASP  23   6.393   6.129 -15.120
  181    HB3  ASP  23           HB2      ASP  23   5.984   4.666 -16.017
  182    H    VAL  24           H        VAL  24   5.496   3.364 -11.804
  183    HA   VAL  24           HA       VAL  24   5.566   5.994 -10.387
  184    HB   VAL  24           HB       VAL  24   4.154   3.476  -9.489
  185   HG11  VAL  24          HG11      VAL  24   2.897   4.964  -8.090
  186   HG12  VAL  24          HG12      VAL  24   3.544   6.384  -8.911
  187   HG13  VAL  24          HG13      VAL  24   4.594   5.400  -7.892
  188   HG21  VAL  24          HG21      VAL  24   3.335   4.080 -11.737
  189   HG22  VAL  24          HG22      VAL  24   3.080   5.742 -11.205
  190   HG23  VAL  24          HG23      VAL  24   2.111   4.438 -10.519
  191    H    ASP  25           H        ASP  25   6.974   6.249  -8.688
  192    HA   ASP  25           HA       ASP  25   8.682   3.945  -7.978
  193    HB2  ASP  25           HB3      ASP  25   8.765   6.868  -7.163
  194    HB3  ASP  25           HB2      ASP  25   9.942   5.657  -6.651
  195    H    VAL  26           H        VAL  26   8.104   2.669  -6.280
  196    HA   VAL  26           HA       VAL  26   6.010   3.514  -4.429
  197    HB   VAL  26           HB       VAL  26   6.295   1.300  -3.452
  198   HG11  VAL  26          HG11      VAL  26   5.460   0.140  -5.254
  199   HG12  VAL  26          HG12      VAL  26   6.736   0.698  -6.336
  200   HG13  VAL  26          HG13      VAL  26   5.389   1.765  -5.936
  201   HG21  VAL  26          HG21      VAL  26   8.115  -0.183  -4.483
  202   HG22  VAL  26          HG22      VAL  26   8.668   1.058  -3.359
  203   HG23  VAL  26          HG23      VAL  26   8.831   1.306  -5.097
  204    H    ASP  27           H        ASP  27   9.151   4.374  -4.642
  205    HA   ASP  27           HA       ASP  27   9.897   4.095  -1.818
  206    HB2  ASP  27           HB3      ASP  27  11.175   5.564  -4.144
  207    HB3  ASP  27           HB2      ASP  27  11.872   5.472  -2.528
  208    H    LEU  28           H        LEU  28   8.232   6.341  -3.832
  209    HA   LEU  28           HA       LEU  28   8.608   8.591  -1.961
  210    HB2  LEU  28           HB3      LEU  28   8.488   8.981  -4.416
  211    HB3  LEU  28           HB2      LEU  28   6.840   8.362  -4.417
  212    HG   LEU  28           HG       LEU  28   6.253  10.147  -2.732
  213   HD11  LEU  28          HD11      LEU  28   7.993  12.122  -2.909
  214   HD12  LEU  28          HD12      LEU  28   9.133  10.821  -3.250
  215   HD13  LEU  28          HD13      LEU  28   8.241  10.836  -1.729
  216   HD21  LEU  28          HD21      LEU  28   5.649  10.540  -5.018
  217   HD22  LEU  28          HD22      LEU  28   7.314  10.916  -5.461
  218   HD23  LEU  28          HD23      LEU  28   6.399  12.029  -4.444
  219    H    ASP  29           H        ASP  29   7.067   9.220  -0.461
  220    HA   ASP  29           HA       ASP  29   5.182   7.325   0.463
  221    HB2  ASP  29           HB3      ASP  29   5.248  10.338   0.836
  222    HB3  ASP  29           HB2      ASP  29   4.190   9.254   1.739
  223    H    LEU  30           H        LEU  30   3.103   6.918  -0.044
  224    HA   LEU  30           HA       LEU  30   2.049   7.738  -2.568
  225    HB2  LEU  30           HB3      LEU  30   1.563   5.658  -0.982
  226    HB3  LEU  30           HB2      LEU  30   0.261   6.699  -0.409
  227    HG   LEU  30           HG       LEU  30   0.753   5.966  -3.308
  228   HD11  LEU  30          HD11      LEU  30  -1.766   5.105  -2.200
  229   HD12  LEU  30          HD12      LEU  30  -0.442   4.488  -1.213
  230   HD13  LEU  30          HD13      LEU  30  -0.495   4.132  -2.940
  231   HD21  LEU  30          HD21      LEU  30  -1.134   7.793  -1.878
  232   HD22  LEU  30          HD22      LEU  30  -1.739   6.904  -3.275
  233   HD23  LEU  30          HD23      LEU  30  -0.361   7.989  -3.450
  234    H    VAL  31           H        VAL  31   1.404   8.813   0.752
  235    HA   VAL  31           HA       VAL  31  -0.862  10.433   0.138
  236    HB   VAL  31           HB       VAL  31   1.199  10.695   2.335
  237   HG11  VAL  31          HG11      VAL  31  -1.139  11.883   3.197
  238   HG12  VAL  31          HG12      VAL  31  -1.057  12.392   1.509
  239   HG13  VAL  31          HG13      VAL  31   0.276  12.754   2.605
  240   HG21  VAL  31          HG21      VAL  31   0.051   8.993   3.270
  241   HG22  VAL  31          HG22      VAL  31  -0.961   8.895   1.829
  242   HG23  VAL  31          HG23      VAL  31  -1.435   9.939   3.171
  243    H    ASP  32           H        ASP  32   2.608  11.120  -0.029
  244    HA   ASP  32           HA       ASP  32   2.512  13.920  -0.309
  245    HB2  ASP  32           HB3      ASP  32   4.275  11.897  -1.725
  246    HB3  ASP  32           HB2      ASP  32   4.543  13.639  -1.782
  247    H    ASN  33           H        ASN  33   1.711  11.366  -2.575
  248    HA   ASN  33           HA       ASN  33   1.396  13.065  -4.887
  249    HB2  ASN  33           HB3      ASN  33   0.315  10.337  -4.190
  250    HB3  ASN  33           HB2      ASN  33   0.093  11.094  -5.760
  251   HD21  ASN  33          HD22      ASN  33   1.563   8.654  -5.512
  252   HD22  ASN  33          HD21      ASN  33   3.195   8.967  -5.860
  253    H    GLY  34           H        GLY  34  -0.745  11.981  -2.297
  254    HA2  GLY  34           HA3      GLY  34  -2.752  13.048  -1.586
  255    HA3  GLY  34           HA2      GLY  34  -2.665  14.097  -3.004
  256    H    VAL  35           H        VAL  35  -2.142  10.927  -3.925
  257    HA   VAL  35           HA       VAL  35  -4.548  10.749  -5.450
  258    HB   VAL  35           HB       VAL  35  -2.616   8.589  -4.552
  259   HG11  VAL  35          HG11      VAL  35  -3.722   7.580  -6.777
  260   HG12  VAL  35          HG12      VAL  35  -5.096   8.532  -6.212
  261   HG13  VAL  35          HG13      VAL  35  -4.406   7.280  -5.179
  262   HG21  VAL  35          HG21      VAL  35  -1.384   9.088  -6.421
  263   HG22  VAL  35          HG22      VAL  35  -2.130  10.673  -6.225
  264   HG23  VAL  35          HG23      VAL  35  -2.808   9.516  -7.369
  265    H    ILE  36           H        ILE  36  -3.674   9.589  -2.230
  266    HA   ILE  36           HA       ILE  36  -6.165   8.090  -1.913
  267    HB   ILE  36           HB       ILE  36  -4.061   8.930   0.106
  268   HG12  ILE  36          HG13      ILE  36  -4.590   6.237  -1.182
  269   HG13  ILE  36          HG12      ILE  36  -3.358   7.361  -1.730
  270   HG21  ILE  36          HG21      ILE  36  -5.135   7.013   1.412
  271   HG22  ILE  36          HG22      ILE  36  -6.481   7.130   0.281
  272   HG23  ILE  36          HG23      ILE  36  -6.076   8.502   1.313
  273   HD11  ILE  36          HD11      ILE  36  -2.864   7.224   0.984
  274   HD12  ILE  36          HD12      ILE  36  -1.989   6.318  -0.250
  275   HD13  ILE  36          HD13      ILE  36  -3.345   5.573   0.595
  276    H    ASP  37           H        ASP  37  -8.025   9.200  -1.734
  277    HA   ASP  37           HA       ASP  37  -8.044  11.736  -0.165
  278    HB2  ASP  37           HB3      ASP  37  -9.832  10.741  -2.402
  279    HB3  ASP  37           HB2      ASP  37 -10.166  12.182  -1.450
  280    H    ALA  38           H        ALA  38 -10.784  11.876   0.306
  281    HA   ALA  38           HA       ALA  38 -11.092  10.097   2.540
  282    HB1  ALA  38           HB1      ALA  38 -13.591  11.188   1.444
  283    HB2  ALA  38           HB2      ALA  38 -12.343  12.411   1.687
  284    HB3  ALA  38           HB3      ALA  38 -12.874  11.413   3.041
  285    H    LEU  39           H        LEU  39 -12.804  10.228  -0.591
  286    HA   LEU  39           HA       LEU  39 -14.070   7.655  -0.201
  287    HB2  LEU  39           HB3      LEU  39 -13.552   9.123  -2.798
  288    HB3  LEU  39           HB2      LEU  39 -14.748   7.863  -2.528
  289    HG   LEU  39           HG       LEU  39 -14.713  10.626  -1.315
  290   HD11  LEU  39          HD11      LEU  39 -16.632  11.045  -2.608
  291   HD12  LEU  39          HD12      LEU  39 -16.933   9.327  -2.878
  292   HD13  LEU  39          HD13      LEU  39 -15.599  10.129  -3.707
  293   HD21  LEU  39          HD21      LEU  39 -16.266   8.144  -0.626
  294   HD22  LEU  39          HD22      LEU  39 -16.991   9.735  -0.388
  295   HD23  LEU  39          HD23      LEU  39 -15.503   9.308   0.457
  296    H    GLY  40           H        GLY  40 -11.117   8.866  -1.619
  297    HA2  GLY  40           HA3      GLY  40 -10.282   6.537  -3.007
  298    HA3  GLY  40           HA2      GLY  40  -9.193   7.754  -2.332
  299    H    LEU  41           H        LEU  41  -9.916   7.533   0.377
  300    HA   LEU  41           HA       LEU  41  -8.330   5.288   1.194
  301    HB2  LEU  41           HB3      LEU  41  -8.606   7.403   2.502
  302    HB3  LEU  41           HB2      LEU  41 -10.269   6.933   2.846
  303    HG   LEU  41           HG       LEU  41  -8.229   4.870   3.437
  304   HD11  LEU  41          HD11      LEU  41  -6.899   6.581   4.321
  305   HD12  LEU  41          HD12      LEU  41  -7.892   6.138   5.709
  306   HD13  LEU  41          HD13      LEU  41  -8.293   7.569   4.760
  307   HD21  LEU  41          HD21      LEU  41 -10.296   5.968   5.320
  308   HD22  LEU  41          HD22      LEU  41  -9.735   4.307   5.131
  309   HD23  LEU  41          HD23      LEU  41 -10.821   5.014   3.934
  310    H    LEU  42           H        LEU  42 -11.827   5.893   1.120
  311    HA   LEU  42           HA       LEU  42 -12.647   3.478   2.397
  312    HB2  LEU  42           HB3      LEU  42 -14.177   5.366   1.942
  313    HB3  LEU  42           HB2      LEU  42 -14.036   5.063   0.211
  314    HG   LEU  42           HG       LEU  42 -14.761   2.593   1.057
  315   HD11  LEU  42          HD11      LEU  42 -16.210   4.530   2.878
  316   HD12  LEU  42          HD12      LEU  42 -14.960   3.406   3.408
  317   HD13  LEU  42          HD13      LEU  42 -16.483   2.792   2.767
  318   HD21  LEU  42          HD21      LEU  42 -16.392   4.992   0.252
  319   HD22  LEU  42          HD22      LEU  42 -17.156   3.426   0.525
  320   HD23  LEU  42          HD23      LEU  42 -15.922   3.600  -0.724
  321    H    LYS  43           H        LYS  43 -12.140   4.234  -1.037
  322    HA   LYS  43           HA       LYS  43 -12.857   1.692  -2.064
  323    HB2  LYS  43           HB3      LYS  43 -10.871   3.725  -3.093
  324    HB3  LYS  43           HB2      LYS  43 -11.428   2.334  -4.016
  325    HG2  LYS  43           HG3      LYS  43 -13.773   3.141  -3.749
  326    HG3  LYS  43           HG2      LYS  43 -13.153   4.580  -2.940
  327    HD2  LYS  43           HD3      LYS  43 -11.796   5.090  -4.974
  328    HD3  LYS  43           HD2      LYS  43 -12.551   3.716  -5.782
  329    HE2  LYS  43           HE3      LYS  43 -13.724   5.789  -6.377
  330    HE3  LYS  43           HE2      LYS  43 -14.778   4.748  -5.421
  331    HZ1  LYS  43           HZ1      LYS  43 -14.841   6.217  -3.767
  332    HZ2  LYS  43           HZ2      LYS  43 -14.220   7.340  -4.877
  333    HZ3  LYS  43           HZ3      LYS  43 -13.169   6.513  -3.828
  334    H    VAL  44           H        VAL  44  -9.821   2.898  -0.731
  335    HA   VAL  44           HA       VAL  44  -8.150   0.715  -1.474
  336    HB   VAL  44           HB       VAL  44  -8.047   2.592   0.895
  337   HG11  VAL  44          HG11      VAL  44  -5.608   1.827   0.951
  338   HG12  VAL  44          HG12      VAL  44  -6.108   0.479  -0.071
  339   HG13  VAL  44          HG13      VAL  44  -6.792   0.662   1.544
  340   HG21  VAL  44          HG21      VAL  44  -6.180   2.558  -1.462
  341   HG22  VAL  44          HG22      VAL  44  -6.616   3.904  -0.410
  342   HG23  VAL  44          HG23      VAL  44  -7.760   3.322  -1.620
  343    H    ILE  45           H        ILE  45 -10.082   1.284   1.444
  344    HA   ILE  45           HA       ILE  45  -9.363  -1.166   2.738
  345    HB   ILE  45           HB       ILE  45 -11.403   0.966   3.103
  346   HG12  ILE  45          HG13      ILE  45 -10.485   0.833   5.426
  347   HG13  ILE  45          HG12      ILE  45  -9.439  -0.485   4.902
  348   HG21  ILE  45          HG21      ILE  45 -11.664  -1.842   4.179
  349   HG22  ILE  45          HG22      ILE  45 -12.889  -0.862   3.374
  350   HG23  ILE  45          HG23      ILE  45 -12.370  -0.457   5.008
  351   HD11  ILE  45          HD11      ILE  45  -7.983   0.941   3.928
  352   HD12  ILE  45          HD12      ILE  45  -8.840   2.232   4.768
  353   HD13  ILE  45          HD13      ILE  45  -9.278   1.815   3.114
  354    H    ALA  46           H        ALA  46 -12.100  -0.319   0.609
  355    HA   ALA  46           HA       ALA  46 -13.520  -2.768   1.035
  356    HB1  ALA  46           HB1      ALA  46 -14.800  -2.151  -0.938
  357    HB2  ALA  46           HB2      ALA  46 -13.553  -1.000  -1.420
  358    HB3  ALA  46           HB3      ALA  46 -14.502  -0.713   0.039
  359    H    TRP  47           H        TRP  47 -11.330  -1.866  -1.684
  360    HA   TRP  47           HA       TRP  47 -11.563  -4.549  -2.805
  361    HB2  TRP  47           HB3      TRP  47 -10.848  -3.436  -4.615
  362    HB3  TRP  47           HB2      TRP  47 -10.474  -2.022  -3.629
  363    HD1  TRP  47           HD1      TRP  47  -8.859  -5.458  -4.426
  364    HE1  TRP  47           HE1      TRP  47  -6.299  -5.129  -4.490
  365    HE3  TRP  47           HE3      TRP  47  -8.593  -0.524  -3.252
  366    HZ2  TRP  47           HZ2      TRP  47  -4.390  -3.028  -4.089
  367    HZ3  TRP  47           HZ3      TRP  47  -6.404   0.634  -3.095
  368    HH2  TRP  47           HH2      TRP  47  -4.302  -0.614  -3.515
  369    H    LEU  48           H        LEU  48  -8.983  -2.803  -1.070
  370    HA   LEU  48           HA       LEU  48  -7.048  -4.866  -1.165
  371    HB2  LEU  48           HB3      LEU  48  -6.682  -2.511  -0.360
  372    HB3  LEU  48           HB2      LEU  48  -7.530  -2.935   1.125
  373    HG   LEU  48           HG       LEU  48  -5.781  -4.905   1.195
  374   HD11  LEU  48          HD11      LEU  48  -3.807  -4.612   0.015
  375   HD12  LEU  48          HD12      LEU  48  -4.026  -2.867  -0.117
  376   HD13  LEU  48          HD13      LEU  48  -4.960  -3.953  -1.146
  377   HD21  LEU  48          HD21      LEU  48  -5.569  -3.520   3.010
  378   HD22  LEU  48          HD22      LEU  48  -5.628  -2.057   2.027
  379   HD23  LEU  48          HD23      LEU  48  -4.130  -2.979   2.145
  380    H    GLU  49           H        GLU  49  -9.597  -4.267   1.264
  381    HA   GLU  49           HA       GLU  49  -8.859  -6.511   2.912
  382    HB2  GLU  49           HB3      GLU  49 -11.460  -4.990   2.651
  383    HB3  GLU  49           HB2      GLU  49 -11.099  -6.140   3.925
  384    HG2  GLU  49           HG3      GLU  49  -9.484  -3.656   3.344
  385    HG3  GLU  49           HG2      GLU  49 -10.647  -3.821   4.648
  386    H    ASP  50           H        ASP  50 -11.103  -6.078   0.213
  387    HA   ASP  50           HA       ASP  50 -12.472  -8.560   0.423
  388    HB2  ASP  50           HB3      ASP  50 -13.121  -6.628  -1.034
  389    HB3  ASP  50           HB2      ASP  50 -11.808  -7.080  -2.118
  390    H    ARG  51           H        ARG  51  -9.421  -7.766  -1.222
  391    HA   ARG  51           HA       ARG  51  -9.124 -10.182  -2.656
  392    HB2  ARG  51           HB3      ARG  51  -7.047  -8.350  -1.470
  393    HB3  ARG  51           HB2      ARG  51  -6.670  -9.672  -2.566
  394    HG2  ARG  51           HG3      ARG  51  -8.275  -8.666  -4.221
  395    HG3  ARG  51           HG2      ARG  51  -8.423  -7.277  -3.144
  396    HD2  ARG  51           HD3      ARG  51  -5.872  -8.272  -4.443
  397    HD3  ARG  51           HD2      ARG  51  -6.749  -6.798  -4.854
  398    HE   ARG  51           HE       ARG  51  -6.233  -6.397  -2.211
  399   HH11  ARG  51          HH22      ARG  51  -4.328  -7.502  -4.864
  400   HH12  ARG  51          HH21      ARG  51  -2.842  -6.875  -4.231
  401   HH21  ARG  51          HH11      ARG  51  -4.304  -5.575  -1.369
  402   HH22  ARG  51          HH12      ARG  51  -2.829  -5.783  -2.253
  403    H    PHE  52           H        PHE  52  -8.212  -9.461   0.721
  404    HA   PHE  52           HA       PHE  52  -7.117 -12.189   0.967
  405    HB2  PHE  52           HB3      PHE  52  -7.218  -9.790   2.782
  406    HB3  PHE  52           HB2      PHE  52  -6.779 -11.379   3.404
  407    HD1  PHE  52           HD1      PHE  52  -5.884  -8.767   0.921
  408    HD2  PHE  52           HD2      PHE  52  -4.657 -12.371   2.910
  409    HE1  PHE  52           HE1      PHE  52  -3.595  -8.492   0.007
  410    HE2  PHE  52           HE2      PHE  52  -2.367 -12.095   1.997
  411    HZ   PHE  52           HZ       PHE  52  -1.837 -10.157   0.544
  412    H    GLY  53           H        GLY  53 -10.172 -10.891   1.098
  413    HA2  GLY  53           HA3      GLY  53 -12.189 -11.905   1.772
  414    HA3  GLY  53           HA2      GLY  53 -11.245 -13.287   2.337
  415    H    ILE  54           H        ILE  54 -10.528 -10.028   3.351
  416    HA   ILE  54           HA       ILE  54 -11.424 -10.765   6.100
  417    HB   ILE  54           HB       ILE  54  -9.686  -9.156   6.858
  418   HG12  ILE  54          HG13      ILE  54  -9.040  -9.028   3.897
  419   HG13  ILE  54          HG12      ILE  54  -9.763  -7.728   4.832
  420   HG21  ILE  54          HG21      ILE  54  -7.747 -10.534   6.231
  421   HG22  ILE  54          HG22      ILE  54  -8.667 -11.245   4.905
  422   HG23  ILE  54          HG23      ILE  54  -9.138 -11.561   6.575
  423   HD11  ILE  54          HD11      ILE  54  -7.719  -7.897   6.366
  424   HD12  ILE  54          HD12      ILE  54  -7.443  -7.220   4.761
  425   HD13  ILE  54          HD13      ILE  54  -6.995  -8.892   5.104
  426    H    ALA  55           H        ALA  55 -12.427  -9.074   7.371
  427    HA   ALA  55           HA       ALA  55 -13.780  -7.037   5.672
  428    HB1  ALA  55           HB1      ALA  55 -15.130  -8.651   7.102
  429    HB2  ALA  55           HB2      ALA  55 -15.480  -6.943   7.366
  430    HB3  ALA  55           HB3      ALA  55 -14.471  -7.824   8.513
  431    H    ALA  56           H        ALA  56 -13.516  -4.853   6.086
  432    HA   ALA  56           HA       ALA  56 -11.202  -3.992   7.541
  433    HB1  ALA  56           HB1      ALA  56 -13.012  -2.839   5.737
  434    HB2  ALA  56           HB2      ALA  56 -11.604  -2.056   6.456
  435    HB3  ALA  56           HB3      ALA  56 -13.186  -1.894   7.216
  436    H    ASP  57           H        ASP  57 -14.583  -4.332   8.428
  437    HA   ASP  57           HA       ASP  57 -14.657  -2.724  10.744
  438    HB2  ASP  57           HB3      ASP  57 -16.595  -3.972   9.702
  439    HB3  ASP  57           HB2      ASP  57 -15.976  -5.426  10.480
  440    H    ASP  58           H        ASP  58 -13.343  -5.974  10.288
  441    HA   ASP  58           HA       ASP  58 -12.944  -6.670  12.998
  442    HB2  ASP  58           HB3      ASP  58 -11.295  -7.326  10.555
  443    HB3  ASP  58           HB2      ASP  58 -11.062  -8.089  12.127
  444    H    VAL  59           H        VAL  59 -10.910  -4.718  10.835
  445    HA   VAL  59           HA       VAL  59  -9.471  -3.748  13.262
  446    HB   VAL  59           HB       VAL  59  -8.077  -5.461  12.091
  447   HG11  VAL  59          HG11      VAL  59  -7.631  -3.567   9.834
  448   HG12  VAL  59          HG12      VAL  59  -9.118  -4.514   9.801
  449   HG13  VAL  59          HG13      VAL  59  -7.555  -5.329   9.855
  450   HG21  VAL  59          HG21      VAL  59  -6.857  -2.742  11.629
  451   HG22  VAL  59          HG22      VAL  59  -6.088  -4.206  12.243
  452   HG23  VAL  59          HG23      VAL  59  -7.206  -3.301  13.264
  453    H    GLU  60           H        GLU  60  -8.970  -1.547  13.198
  454    HA   GLU  60           HA       GLU  60 -10.113  -0.062  10.880
  455    HB2  GLU  60           HB3      GLU  60  -9.360   0.898  13.655
  456    HB3  GLU  60           HB2      GLU  60 -10.104   1.885  12.404
  457    HG2  GLU  60           HG3      GLU  60 -12.033   0.331  12.366
  458    HG3  GLU  60           HG2      GLU  60 -11.299  -0.578  13.682
  459    H    LEU  61           H        LEU  61  -8.805   1.220   9.607
  460    HA   LEU  61           HA       LEU  61  -5.898   1.136  10.199
  461    HB2  LEU  61           HB3      LEU  61  -7.413   1.694   7.635
  462    HB3  LEU  61           HB2      LEU  61  -5.664   1.740   7.789
  463    HG   LEU  61           HG       LEU  61  -6.042  -0.678   8.824
  464   HD11  LEU  61          HD11      LEU  61  -8.141  -0.880   6.740
  465   HD12  LEU  61          HD12      LEU  61  -8.634  -0.120   8.251
  466   HD13  LEU  61          HD13      LEU  61  -7.979  -1.755   8.260
  467   HD21  LEU  61          HD21      LEU  61  -4.629  -0.416   6.936
  468   HD22  LEU  61          HD22      LEU  61  -5.956   0.143   5.920
  469   HD23  LEU  61          HD23      LEU  61  -5.868  -1.551   6.401
  470    H    SER  62           H        SER  62  -4.697   3.063  10.288
  471    HA   SER  62           HA       SER  62  -6.317   5.535  10.548
  472    HB2  SER  62           HB3      SER  62  -4.414   4.425  12.214
  473    HB3  SER  62           HB2      SER  62  -3.487   5.626  11.327
  474    HG   SER  62           HG       SER  62  -4.358   6.950  12.718
  475    HA   PRO  63           HA       PRO  63  -4.735   7.265   6.811
  476    HB2  PRO  63           HB2      PRO  63  -3.881   9.769   7.794
  477    HB3  PRO  63           HB3      PRO  63  -5.484   9.383   7.147
  478    HG2  PRO  63           HG3      PRO  63  -4.581   9.604   9.950
  479    HG3  PRO  63           HG2      PRO  63  -6.172   9.920   9.242
  480    HD2  PRO  63           HD3      PRO  63  -5.662   7.709  10.726
  481    HD3  PRO  63           HD2      PRO  63  -6.826   7.699   9.385
  482    H    GLU  64           H        GLU  64  -2.726   7.261   9.678
  483    HA   GLU  64           HA       GLU  64  -0.260   8.014   8.394
  484    HB2  GLU  64           HB3      GLU  64  -0.752   6.426  10.918
  485    HB3  GLU  64           HB2      GLU  64   0.787   7.122  10.444
  486    HG2  GLU  64           HG3      GLU  64  -0.270   9.368  10.439
  487    HG3  GLU  64           HG2      GLU  64  -1.758   8.634  11.027
  488    H    HIS  65           H        HIS  65  -2.033   5.034   8.765
  489    HA   HIS  65           HA       HIS  65   0.119   3.246   8.155
  490    HB2  HIS  65           HB3      HIS  65  -1.838   2.260   9.069
  491    HB3  HIS  65           HB2      HIS  65  -2.879   3.041   7.877
  492    HD1  HIS  65           HD1      HIS  65  -3.699   1.339   6.263
  493    HD2  HIS  65           HD2      HIS  65   0.262   0.625   7.357
  494    HE1  HIS  65           HE1      HIS  65  -2.931  -0.664   4.913
  495    HE2  HIS  65           HE2      HIS  65  -0.519  -1.096   5.562
  496    H    PHE  66           H        PHE  66  -1.735   5.427   6.261
  497    HA   PHE  66           HA       PHE  66  -1.045   4.074   3.734
  498    HB2  PHE  66           HB3      PHE  66  -2.490   6.703   4.165
  499    HB3  PHE  66           HB2      PHE  66  -2.425   5.768   2.673
  500    HD1  PHE  66           HD1      PHE  66  -3.459   5.485   6.259
  501    HD2  PHE  66           HD2      PHE  66  -4.070   4.151   2.223
  502    HE1  PHE  66           HE1      PHE  66  -5.431   4.176   6.994
  503    HE2  PHE  66           HE2      PHE  66  -6.043   2.840   2.958
  504    HZ   PHE  66           HZ       PHE  66  -6.721   2.856   5.344
  505    H    ARG  67           H        ARG  67   0.774   5.565   5.756
  506    HA   ARG  67           HA       ARG  67   1.864   7.902   4.721
  507    HB2  ARG  67           HB3      ARG  67   3.956   7.199   5.799
  508    HB3  ARG  67           HB2      ARG  67   2.581   6.794   6.821
  509    HG2  ARG  67           HG3      ARG  67   2.776   4.545   5.286
  510    HG3  ARG  67           HG2      ARG  67   4.468   5.014   5.415
  511    HD2  ARG  67           HD3      ARG  67   3.922   5.309   7.958
  512    HD3  ARG  67           HD2      ARG  67   2.533   4.287   7.596
  513    HE   ARG  67           HE       ARG  67   5.111   3.230   6.666
  514   HH11  ARG  67          HH22      ARG  67   2.701   3.420   9.124
  515   HH12  ARG  67          HH21      ARG  67   3.135   1.911   9.853
  516   HH21  ARG  67          HH11      ARG  67   5.691   1.256   7.606
  517   HH22  ARG  67          HH12      ARG  67   4.827   0.687   8.993
  518    H    SER  68           H        SER  68   2.400   4.566   3.597
  519    HA   SER  68           HA       SER  68   3.265   5.595   1.007
  520    HB2  SER  68           HB3      SER  68   5.469   4.563   1.010
  521    HB3  SER  68           HB2      SER  68   5.366   5.686   2.362
  522    HG   SER  68           HG       SER  68   6.171   3.377   2.664
  523    H    ILE  69           H        ILE  69   3.403   3.895  -0.588
  524    HA   ILE  69           HA       ILE  69   1.486   1.833  -0.320
  525    HB   ILE  69           HB       ILE  69   3.871   1.843  -2.189
  526   HG12  ILE  69          HG13      ILE  69   1.748   2.898  -3.583
  527   HG13  ILE  69          HG12      ILE  69   1.522   3.611  -1.989
  528   HG21  ILE  69          HG21      ILE  69   2.630   0.390  -3.519
  529   HG22  ILE  69          HG22      ILE  69   1.097   0.904  -2.817
  530   HG23  ILE  69          HG23      ILE  69   2.178  -0.144  -1.899
  531   HD11  ILE  69          HD11      ILE  69   2.962   5.158  -2.965
  532   HD12  ILE  69          HD12      ILE  69   3.815   3.928  -3.896
  533   HD13  ILE  69          HD13      ILE  69   4.114   4.090  -2.167
  534    H    ARG  70           H        ARG  70   4.954   1.937   0.249
  535    HA   ARG  70           HA       ARG  70   5.514  -0.824   0.500
  536    HB2  ARG  70           HB3      ARG  70   6.650   1.476   2.122
  537    HB3  ARG  70           HB2      ARG  70   7.404  -0.102   1.898
  538    HG2  ARG  70           HG3      ARG  70   7.914   0.312  -0.339
  539    HG3  ARG  70           HG2      ARG  70   6.650   1.532  -0.506
  540    HD2  ARG  70           HD3      ARG  70   8.840   2.620  -0.439
  541    HD3  ARG  70           HD2      ARG  70   7.928   3.034   1.010
  542    HE   ARG  70           HE       ARG  70   9.589   0.701   1.442
  543   HH11  ARG  70          HH22      ARG  70   9.544   4.137   1.161
  544   HH12  ARG  70          HH21      ARG  70  10.934   4.371   2.169
  545   HH21  ARG  70          HH11      ARG  70  11.405   0.986   2.758
  546   HH22  ARG  70          HH12      ARG  70  11.988   2.587   3.072
  547    H    SER  71           H        SER  71   4.323   1.502   2.914
  548    HA   SER  71           HA       SER  71   4.279  -0.342   5.110
  549    HB2  SER  71           HB3      SER  71   4.128   2.154   5.324
  550    HB3  SER  71           HB2      SER  71   2.492   2.069   4.679
  551    HG   SER  71           HG       SER  71   3.395   0.623   6.949
  552    H    ILE  72           H        ILE  72   1.847   0.549   2.675
  553    HA   ILE  72           HA       ILE  72  -0.332  -0.877   3.793
  554    HB   ILE  72           HB       ILE  72   0.298  -0.364   0.876
  555   HG12  ILE  72          HG13      ILE  72  -1.309   1.261   2.877
  556   HG13  ILE  72          HG12      ILE  72   0.302   1.683   2.293
  557   HG21  ILE  72          HG21      ILE  72  -1.629  -1.437   0.464
  558   HG22  ILE  72          HG22      ILE  72  -2.476  -0.290   1.501
  559   HG23  ILE  72          HG23      ILE  72  -1.816  -1.776   2.183
  560   HD11  ILE  72          HD11      ILE  72  -0.899   1.358  -0.078
  561   HD12  ILE  72          HD12      ILE  72  -0.944   2.896   0.784
  562   HD13  ILE  72          HD13      ILE  72  -2.318   1.795   0.874
  563    H    ASP  73           H        ASP  73   2.121  -1.921   1.417
  564    HA   ASP  73           HA       ASP  73   1.095  -4.549   1.028
  565    HB2  ASP  73           HB3      ASP  73   2.985  -3.333  -0.244
  566    HB3  ASP  73           HB2      ASP  73   4.041  -3.883   1.054
  567    H    ALA  74           H        ALA  74   3.417  -3.271   3.394
  568    HA   ALA  74           HA       ALA  74   3.972  -5.797   4.635
  569    HB1  ALA  74           HB1      ALA  74   5.265  -4.581   6.113
  570    HB2  ALA  74           HB2      ALA  74   4.087  -3.272   6.222
  571    HB3  ALA  74           HB3      ALA  74   5.131  -3.403   4.807
  572    H    PHE  75           H        PHE  75   1.620  -3.235   5.382
  573    HA   PHE  75           HA       PHE  75   0.648  -4.398   7.796
  574    HB2  PHE  75           HB3      PHE  75   0.143  -2.076   7.011
  575    HB3  PHE  75           HB2      PHE  75  -0.937  -2.769   5.807
  576    HD1  PHE  75           HD1      PHE  75  -0.363  -2.295   9.428
  577    HD2  PHE  75           HD2      PHE  75  -3.077  -3.711   6.415
  578    HE1  PHE  75           HE1      PHE  75  -2.170  -2.436  11.121
  579    HE2  PHE  75           HE2      PHE  75  -4.884  -3.853   8.108
  580    HZ   PHE  75           HZ       PHE  75  -4.430  -3.214  10.461
  581    H    VAL  76           H        VAL  76  -0.466  -4.770   4.425
  582    HA   VAL  76           HA       VAL  76  -2.607  -6.573   5.055
  583    HB   VAL  76           HB       VAL  76  -1.011  -6.133   2.518
  584   HG11  VAL  76          HG11      VAL  76  -3.050  -8.099   3.236
  585   HG12  VAL  76          HG12      VAL  76  -1.992  -8.040   1.827
  586   HG13  VAL  76          HG13      VAL  76  -3.499  -7.125   1.837
  587   HG21  VAL  76          HG21      VAL  76  -3.692  -5.265   2.309
  588   HG22  VAL  76          HG22      VAL  76  -2.249  -4.255   2.397
  589   HG23  VAL  76          HG23      VAL  76  -3.116  -4.684   3.871
  590    H    VAL  77           H        VAL  77   0.735  -7.164   3.874
  591    HA   VAL  77           HA       VAL  77   0.468 -10.031   3.982
  592    HB   VAL  77           HB       VAL  77   2.886  -8.206   3.942
  593   HG11  VAL  77          HG11      VAL  77   4.010 -10.054   4.600
  594   HG12  VAL  77          HG12      VAL  77   3.671 -10.667   2.982
  595   HG13  VAL  77          HG13      VAL  77   2.619 -11.102   4.329
  596   HG21  VAL  77          HG21      VAL  77   2.661  -8.223   1.685
  597   HG22  VAL  77          HG22      VAL  77   1.022  -8.807   1.973
  598   HG23  VAL  77          HG23      VAL  77   2.323  -9.954   1.655
  599    H    GLY  78           H        GLY  78   1.843  -7.605   6.174
  600    HA2  GLY  78           HA3      GLY  78   2.853  -9.390   8.135
  601    HA3  GLY  78           HA2      GLY  78   2.391  -7.721   8.441
  602    H    ALA  79           H        ALA  79  -0.392  -8.088   7.635
  603    HA   ALA  79           HA       ALA  79  -1.460  -8.891  10.174
  604    HB1  ALA  79           HB1      ALA  79  -2.806  -8.386   7.511
  605    HB2  ALA  79           HB2      ALA  79  -2.631  -7.246   8.845
  606    HB3  ALA  79           HB3      ALA  79  -3.678  -8.654   9.020
  607    H    THR  80           H        THR  80  -1.370 -10.546   7.017
  608    HA   THR  80           HA       THR  80  -2.826 -12.845   8.101
  609    HB   THR  80           HB       THR  80  -2.541 -13.817   5.890
  610    HG1  THR  80           HG1      THR  80  -0.904 -13.279   4.709
  611   HG21  THR  80          HG21      THR  80  -4.199 -12.447   5.244
  612   HG22  THR  80          HG22      THR  80  -2.994 -11.261   4.741
  613   HG23  THR  80          HG23      THR  80  -3.650 -11.214   6.378
  614    H    THR  81           H        THR  81   0.499 -11.950   7.440
  615    HA   THR  81           HA       THR  81   1.344 -14.454   8.797
  616    HB   THR  81           HB       THR  81   3.407 -14.002   7.102
  617    HG1  THR  81           HG1      THR  81   2.539 -13.433   5.115
  618   HG21  THR  81          HG21      THR  81   2.473 -15.827   5.742
  619   HG22  THR  81          HG22      THR  81   0.885 -15.547   6.459
  620   HG23  THR  81          HG23      THR  81   2.214 -16.136   7.459
  621    HA   PRO  82           HA       PRO  82   3.785 -11.791  11.340
  622    HB2  PRO  82           HB2      PRO  82   6.075 -13.326  11.645
  623    HB3  PRO  82           HB3      PRO  82   4.578 -13.553  12.567
  624    HG2  PRO  82           HG3      PRO  82   5.602 -15.055  10.222
  625    HG3  PRO  82           HG2      PRO  82   4.693 -15.631  11.628
  626    HD2  PRO  82           HD3      PRO  82   3.532 -15.253   9.189
  627    HD3  PRO  82           HD2      PRO  82   2.644 -15.047  10.716
  628    HA   PRO  83           HA       PRO  83   6.304 -10.031   7.979
  629    HB2  PRO  83           HB2      PRO  83   6.556  -7.517   9.033
  630    HB3  PRO  83           HB3      PRO  83   5.147  -8.073   8.116
  631    HG2  PRO  83           HG3      PRO  83   5.478  -7.685  11.024
  632    HG3  PRO  83           HG2      PRO  83   4.030  -7.535  10.020
  633    HD2  PRO  83           HD3      PRO  83   4.629  -9.707  11.670
  634    HD3  PRO  83           HD2      PRO  83   3.447  -9.722  10.344
  635    H    VAL  84           H        VAL  84   8.479  -9.469   7.712
  636    HA   VAL  84           HA       VAL  84  10.182  -9.890  10.126
  637    HB   VAL  84           HB       VAL  84  11.991 -10.376   8.503
  638   HG11  VAL  84          HG11      VAL  84  10.629 -12.345   7.319
  639   HG12  VAL  84          HG12      VAL  84   9.392 -11.852   8.475
  640   HG13  VAL  84          HG13      VAL  84  10.975 -12.379   9.047
  641   HG21  VAL  84          HG21      VAL  84  11.371 -10.574   6.089
  642   HG22  VAL  84          HG22      VAL  84  11.268  -8.916   6.681
  643   HG23  VAL  84          HG23      VAL  84   9.799  -9.868   6.465
  644    H    GLU  85           H        GLU  85  11.574  -8.251  10.783
  645    HA   GLU  85           HA       GLU  85  12.187  -5.978  11.016
  646    HB2  GLU  85           HB3      GLU  85  12.758  -6.467   8.074
  647    HB3  GLU  85           HB2      GLU  85  13.421  -5.141   9.031
  648    HG2  GLU  85           HG3      GLU  85  14.465  -6.799  10.563
  649    HG3  GLU  85           HG2      GLU  85  13.855  -8.100   9.540
  650    H    ALA  86           H        ALA  86   9.641  -5.729  11.133
  651    HA   ALA  86           HA       ALA  86   8.022  -4.788   9.094
  652    HB1  ALA  86           HB1      ALA  86   6.714  -3.685  10.746
  653    HB2  ALA  86           HB2      ALA  86   8.116  -3.399  11.776
  654    HB3  ALA  86           HB3      ALA  86   7.475  -5.031  11.594
  655    H    LYS  87           H        LYS  87   7.583  -2.698   8.204
  656    HA   LYS  87           HA       LYS  87   9.824  -1.151   7.464
  657    HB2  LYS  87           HB3      LYS  87   7.581  -1.138   6.328
  658    HB3  LYS  87           HB2      LYS  87   6.962  -0.167   7.664
  659    HG2  LYS  87           HG3      LYS  87   8.674   1.562   7.182
  660    HG3  LYS  87           HG2      LYS  87   9.240   0.602   5.815
  661    HD2  LYS  87           HD3      LYS  87   6.912   0.711   4.863
  662    HD3  LYS  87           HD2      LYS  87   6.494   1.836   6.154
  663    HE2  LYS  87           HE3      LYS  87   8.111   2.279   3.723
  664    HE3  LYS  87           HE2      LYS  87   7.165   3.426   4.671
  665    HZ1  LYS  87           HZ1      LYS  87   9.373   4.046   5.009
  666    HZ2  LYS  87           HZ2      LYS  87   9.907   2.446   5.178
  667    HZ3  LYS  87           HZ3      LYS  87   8.979   3.165   6.407
  668    H    LEU  88           H        LEU  88   7.634  -0.819  10.221
  669    HA   LEU  88           HA       LEU  88   8.977   1.675  11.068
  670    HB2  LEU  88           HB3      LEU  88   6.829   0.069  12.487
  671    HB3  LEU  88           HB2      LEU  88   7.330   1.718  12.863
  672    HG   LEU  88           HG       LEU  88   6.019   0.776  10.298
  673   HD11  LEU  88          HD11      LEU  88   4.990   1.703  12.804
  674   HD12  LEU  88          HD12      LEU  88   4.095   1.299  11.339
  675   HD13  LEU  88          HD13      LEU  88   4.684   2.944  11.587
  676   HD21  LEU  88          HD21      LEU  88   5.988   3.393   9.995
  677   HD22  LEU  88          HD22      LEU  88   7.438   2.485   9.563
  678   HD23  LEU  88          HD23      LEU  88   7.360   3.344  11.102
  679    H    GLN  89           H        GLN  89  10.371   1.794  12.842
  680    HA   GLN  89           HA       GLN  89  10.894  -0.686  14.385
  681    HB2  GLN  89           HB3      GLN  89  13.025   0.858  12.876
  682    HB3  GLN  89           HB2      GLN  89  13.343  -0.440  14.027
  683    HG2  GLN  89           HG3      GLN  89  11.962  -1.973  12.617
  684    HG3  GLN  89           HG2      GLN  89  11.789  -0.675  11.434
  685   HE21  GLN  89          HE22      GLN  89  14.802  -0.193  12.714
  686   HE22  GLN  89          HE21      GLN  89  15.730  -1.105  11.623
  Start of MODEL    5
    1    H1   SER  -1           H1       SER  -1   9.617 -14.810   3.203
    2    H2   SER  -1           H2       SER  -1   8.215 -14.594   4.138
    3    H3   SER  -1           H3       SER  -1   9.316 -13.314   3.943
    4    HA   SER  -1           HA       SER  -1   8.747 -13.850   1.391
    5    HB2  SER  -1           HB3      SER  -1   6.612 -14.957   3.077
    6    HB3  SER  -1           HB2      SER  -1   6.029 -13.799   1.884
    7    HG   SER  -1           HG       SER  -1   6.158 -15.950   1.068
    8    H    GLU   0           H        GLU   0   9.183 -11.711   1.029
    9    HA   GLU   0           HA       GLU   0   7.707  -9.678   2.630
   10    HB2  GLU   0           HB3      GLU   0  10.206  -9.522   2.473
   11    HB3  GLU   0           HB2      GLU   0  10.042  -9.291   0.732
   12    HG2  GLU   0           HG3      GLU   0   8.618  -7.295   1.163
   13    HG3  GLU   0           HG2      GLU   0   8.893  -7.500   2.892
   14    H    MET   1           H        MET   1   6.183  -8.380   1.659
   15    HA   MET   1           HA       MET   1   4.554  -7.884   0.024
   16    HB2  MET   1           HB3      MET   1   7.184  -7.397  -1.400
   17    HB3  MET   1           HB2      MET   1   5.618  -6.888  -2.038
   18    HG2  MET   1           HG3      MET   1   5.211  -5.562  -0.003
   19    HG3  MET   1           HG2      MET   1   6.768  -6.071   0.644
   20    HE1  MET   1           HE1      MET   1   7.975  -3.278   0.672
   21    HE2  MET   1           HE2      MET   1   6.247  -3.570   0.909
   22    HE3  MET   1           HE3      MET   1   6.788  -2.318  -0.206
   23    H    GLN   2           H        GLN   2   3.651  -9.970  -0.268
   24    HA   GLN   2           HA       GLN   2   4.714 -12.039  -1.889
   25    HB2  GLN   2           HB3      GLN   2   1.822 -11.287  -1.359
   26    HB3  GLN   2           HB2      GLN   2   2.340 -12.805  -2.093
   27    HG2  GLN   2           HG3      GLN   2   3.642 -13.358  -0.086
   28    HG3  GLN   2           HG2      GLN   2   3.187 -11.819   0.648
   29   HE21  GLN   2          HE22      GLN   2   2.504 -14.284   1.914
   30   HE22  GLN   2          HE21      GLN   2   0.819 -14.476   1.853
   31    H    HIS   3           H        HIS   3   2.842  -9.164  -2.756
   32    HA   HIS   3           HA       HIS   3   3.712  -9.465  -5.544
   33    HB2  HIS   3           HB3      HIS   3   0.753  -9.430  -4.872
   34    HB3  HIS   3           HB2      HIS   3   1.456  -9.451  -6.489
   35    HD1  HIS   3           HD1      HIS   3   3.113 -11.635  -6.916
   36    HD2  HIS   3           HD2      HIS   3   0.261 -11.967  -3.889
   37    HE1  HIS   3           HE1      HIS   3   2.855 -14.111  -6.439
   38    HE2  HIS   3           HE2      HIS   3   1.122 -14.324  -4.600
   39    H    ALA   4           H        ALA   4   4.614  -7.463  -4.146
   40    HA   ALA   4           HA       ALA   4   2.933  -5.194  -3.745
   41    HB1  ALA   4           HB1      ALA   4   4.946  -4.816  -2.720
   42    HB2  ALA   4           HB2      ALA   4   5.315  -4.028  -4.253
   43    HB3  ALA   4           HB3      ALA   4   5.856  -5.680  -3.959
   44    H    SER   5           H        SER   5   4.672  -6.371  -6.589
   45    HA   SER   5           HA       SER   5   4.421  -4.063  -8.220
   46    HB2  SER   5           HB3      SER   5   4.292  -6.954  -9.118
   47    HB3  SER   5           HB2      SER   5   4.724  -5.567 -10.115
   48    HG   SER   5           HG       SER   5   6.273  -5.424  -8.032
   49    H    VAL   6           H        VAL   6   2.140  -6.717  -7.614
   50    HA   VAL   6           HA       VAL   6   0.209  -5.878  -9.568
   51    HB   VAL   6           HB       VAL   6  -0.046  -7.516  -7.048
   52   HG11  VAL   6          HG11      VAL   6  -2.104  -6.782  -9.140
   53   HG12  VAL   6          HG12      VAL   6  -2.217  -6.565  -7.394
   54   HG13  VAL   6          HG13      VAL   6  -2.279  -8.185  -8.087
   55   HG21  VAL   6          HG21      VAL   6   1.248  -8.552  -8.850
   56   HG22  VAL   6          HG22      VAL   6  -0.040  -8.199 -10.002
   57   HG23  VAL   6          HG23      VAL   6  -0.313  -9.360  -8.704
   58    H    ILE   7           H        ILE   7   0.486  -5.271  -6.076
   59    HA   ILE   7           HA       ILE   7  -1.864  -3.712  -5.802
   60    HB   ILE   7           HB       ILE   7   0.761  -3.472  -4.303
   61   HG12  ILE   7          HG13      ILE   7  -1.752  -5.014  -3.587
   62   HG13  ILE   7          HG12      ILE   7  -0.342  -5.751  -4.350
   63   HG21  ILE   7          HG21      ILE   7  -1.160  -2.801  -2.527
   64   HG22  ILE   7          HG22      ILE   7  -1.922  -2.221  -4.008
   65   HG23  ILE   7          HG23      ILE   7  -0.337  -1.609  -3.535
   66   HD11  ILE   7          HD11      ILE   7  -0.229  -6.061  -1.923
   67   HD12  ILE   7          HD12      ILE   7  -0.382  -4.323  -1.675
   68   HD13  ILE   7          HD13      ILE   7   1.061  -4.981  -2.448
   69    H    ALA   8           H        ALA   8   1.499  -2.650  -6.393
   70    HA   ALA   8           HA       ALA   8   0.879   0.129  -6.618
   71    HB1  ALA   8           HB1      ALA   8   3.183  -1.340  -6.586
   72    HB2  ALA   8           HB2      ALA   8   3.102   0.370  -7.008
   73    HB3  ALA   8           HB3      ALA   8   3.109  -0.852  -8.280
   74    H    GLN   9           H        GLN   9   1.099  -2.424  -9.110
   75    HA   GLN   9           HA       GLN   9   0.680  -0.627 -11.318
   76    HB2  GLN   9           HB3      GLN   9   1.665  -2.891 -11.551
   77    HB3  GLN   9           HB2      GLN   9   0.101  -3.595 -11.142
   78    HG2  GLN   9           HG3      GLN   9  -0.908  -2.444 -13.099
   79    HG3  GLN   9           HG2      GLN   9   0.683  -1.812 -13.522
   80   HE21  GLN   9          HE22      GLN   9  -1.267  -3.993 -14.735
   81   HE22  GLN   9          HE21      GLN   9  -0.208  -5.273 -15.082
   82    H    PHE  10           H        PHE  10  -1.576  -2.789  -9.583
   83    HA   PHE  10           HA       PHE  10  -3.840  -1.935 -11.158
   84    HB2  PHE  10           HB3      PHE  10  -4.678  -3.781 -10.206
   85    HB3  PHE  10           HB2      PHE  10  -3.326  -3.848  -9.079
   86    HD1  PHE  10           HD2      PHE  10  -3.423  -2.544  -6.945
   87    HD2  PHE  10           HD1      PHE  10  -6.822  -2.969  -9.527
   88    HE1  PHE  10           HE2      PHE  10  -4.909  -1.860  -5.090
   89    HE2  PHE  10           HE1      PHE  10  -8.317  -2.280  -7.673
   90    HZ   PHE  10           HZ       PHE  10  -7.362  -1.725  -5.453
   91    H    VAL  11           H        VAL  11  -2.680  -1.026  -7.912
   92    HA   VAL  11           HA       VAL  11  -4.855   0.690  -7.278
   93    HB   VAL  11           HB       VAL  11  -2.975  -0.124  -5.738
   94   HG11  VAL  11          HG11      VAL  11  -0.976   1.175  -5.610
   95   HG12  VAL  11          HG12      VAL  11  -1.613   2.396  -6.711
   96   HG13  VAL  11          HG13      VAL  11  -1.190   0.796  -7.316
   97   HG21  VAL  11          HG21      VAL  11  -3.192   1.848  -4.301
   98   HG22  VAL  11          HG22      VAL  11  -4.732   1.527  -5.097
   99   HG23  VAL  11          HG23      VAL  11  -3.692   2.825  -5.680
  100    H    VAL  12           H        VAL  12  -1.711   1.517  -8.821
  101    HA   VAL  12           HA       VAL  12  -2.336   4.298  -9.089
  102    HB   VAL  12           HB       VAL  12  -0.043   3.267  -9.362
  103   HG11  VAL  12          HG11      VAL  12   0.557   2.365 -11.536
  104   HG12  VAL  12          HG12      VAL  12  -1.073   2.636 -12.144
  105   HG13  VAL  12          HG13      VAL  12  -0.789   1.435 -10.886
  106   HG21  VAL  12          HG21      VAL  12   0.326   4.736 -11.582
  107   HG22  VAL  12          HG22      VAL  12   0.019   5.474 -10.011
  108   HG23  VAL  12          HG23      VAL  12  -1.299   5.280 -11.167
  109    H    GLU  13           H        GLU  13  -2.949   1.517 -11.237
  110    HA   GLU  13           HA       GLU  13  -3.931   3.090 -13.416
  111    HB2  GLU  13           HB3      GLU  13  -4.401   0.235 -12.587
  112    HB3  GLU  13           HB2      GLU  13  -5.103   0.921 -14.046
  113    HG2  GLU  13           HG3      GLU  13  -2.856   1.533 -14.845
  114    HG3  GLU  13           HG2      GLU  13  -2.154   0.824 -13.396
  115    H    GLU  14           H        GLU  14  -5.500   1.758 -10.542
  116    HA   GLU  14           HA       GLU  14  -8.191   2.325 -11.359
  117    HB2  GLU  14           HB3      GLU  14  -7.573   0.820  -9.463
  118    HB3  GLU  14           HB2      GLU  14  -7.087   2.242  -8.539
  119    HG2  GLU  14           HG3      GLU  14  -9.388   3.161  -8.794
  120    HG3  GLU  14           HG2      GLU  14  -9.861   1.677  -9.625
  121    H    PHE  15           H        PHE  15  -5.818   4.233  -9.510
  122    HA   PHE  15           HA       PHE  15  -7.725   6.490  -9.389
  123    HB2  PHE  15           HB3      PHE  15  -4.930   6.119  -8.282
  124    HB3  PHE  15           HB2      PHE  15  -5.859   7.609  -8.111
  125    HD1  PHE  15           HD1      PHE  15  -8.140   7.503  -6.978
  126    HD2  PHE  15           HD2      PHE  15  -5.313   4.273  -6.844
  127    HE1  PHE  15           HE1      PHE  15  -9.328   6.545  -5.023
  128    HE2  PHE  15           HE2      PHE  15  -6.502   3.313  -4.892
  129    HZ   PHE  15           HZ       PHE  15  -8.509   4.449  -3.981
  130    H    LEU  16           H        LEU  16  -4.510   5.798 -10.781
  131    HA   LEU  16           HA       LEU  16  -4.912   8.163 -12.567
  132    HB2  LEU  16           HB3      LEU  16  -2.561   7.185 -11.031
  133    HB3  LEU  16           HB2      LEU  16  -2.256   7.870 -12.625
  134    HG   LEU  16           HG       LEU  16  -3.989   9.283 -10.598
  135   HD11  LEU  16          HD11      LEU  16  -1.617  10.645 -10.561
  136   HD12  LEU  16          HD12      LEU  16  -1.050   8.979 -10.680
  137   HD13  LEU  16          HD13      LEU  16  -2.096   9.462  -9.344
  138   HD21  LEU  16          HD21      LEU  16  -4.103  10.900 -12.177
  139   HD22  LEU  16          HD22      LEU  16  -3.416   9.725 -13.297
  140   HD23  LEU  16          HD23      LEU  16  -2.361  10.852 -12.446
  141    HA   PRO  17           HA       PRO  17  -4.586   4.326 -15.183
  142    HB2  PRO  17           HB2      PRO  17  -6.504   5.110 -16.997
  143    HB3  PRO  17           HB3      PRO  17  -6.831   4.140 -15.550
  144    HG2  PRO  17           HG3      PRO  17  -7.323   7.006 -16.052
  145    HG3  PRO  17           HG2      PRO  17  -8.207   5.865 -15.031
  146    HD2  PRO  17           HD3      PRO  17  -6.452   7.786 -14.092
  147    HD3  PRO  17           HD2      PRO  17  -6.916   6.326 -13.199
  148    H    ASP  18           H        ASP  18  -4.270   7.711 -15.756
  149    HA   ASP  18           HA       ASP  18  -3.187   7.289 -18.475
  150    HB2  ASP  18           HB3      ASP  18  -3.751   9.772 -16.855
  151    HB3  ASP  18           HB2      ASP  18  -3.024   9.797 -18.457
  152    H    VAL  19           H        VAL  19  -1.933   6.774 -15.562
  153    HA   VAL  19           HA       VAL  19   0.685   8.081 -16.209
  154    HB   VAL  19           HB       VAL  19  -0.308   7.098 -13.518
  155   HG11  VAL  19          HG11      VAL  19   1.700   8.813 -12.984
  156   HG12  VAL  19          HG12      VAL  19   2.250   8.220 -14.551
  157   HG13  VAL  19          HG13      VAL  19   1.970   7.088 -13.228
  158   HG21  VAL  19          HG21      VAL  19  -1.538   9.093 -14.437
  159   HG22  VAL  19          HG22      VAL  19   0.006   9.940 -14.533
  160   HG23  VAL  19          HG23      VAL  19  -0.631   9.442 -12.966
  161    H    ALA  20           H        ALA  20   2.437   6.764 -16.510
  162    HA   ALA  20           HA       ALA  20   2.012   3.910 -16.779
  163    HB1  ALA  20           HB1      ALA  20   4.462   3.880 -17.295
  164    HB2  ALA  20           HB2      ALA  20   4.522   5.598 -16.900
  165    HB3  ALA  20           HB3      ALA  20   3.561   5.041 -18.269
  166    HA   PRO  21           HA       PRO  21   2.704   3.135 -12.347
  167    HB2  PRO  21           HB2      PRO  21   3.337   0.403 -13.343
  168    HB3  PRO  21           HB3      PRO  21   2.204   0.903 -12.076
  169    HG2  PRO  21           HG3      PRO  21   1.405   0.100 -14.515
  170    HG3  PRO  21           HG2      PRO  21   0.516   1.291 -13.554
  171    HD2  PRO  21           HD3      PRO  21   2.146   1.694 -15.996
  172    HD3  PRO  21           HD2      PRO  21   0.821   2.681 -15.338
  173    H    ALA  22           H        ALA  22   4.889   1.952 -14.891
  174    HA   ALA  22           HA       ALA  22   7.140   1.506 -13.155
  175    HB1  ALA  22           HB1      ALA  22   6.598   1.070 -15.837
  176    HB2  ALA  22           HB2      ALA  22   8.163   0.831 -15.063
  177    HB3  ALA  22           HB3      ALA  22   7.808   2.351 -15.884
  178    H    ASP  23           H        ASP  23   5.709   4.336 -14.546
  179    HA   ASP  23           HA       ASP  23   8.107   5.986 -14.109
  180    HB2  ASP  23           HB3      ASP  23   5.302   6.658 -15.034
  181    HB3  ASP  23           HB2      ASP  23   6.595   7.846 -14.873
  182    H    VAL  24           H        VAL  24   6.034   4.653 -12.015
  183    HA   VAL  24           HA       VAL  24   5.733   7.122 -10.350
  184    HB   VAL  24           HB       VAL  24   4.474   4.423  -9.838
  185   HG11  VAL  24          HG11      VAL  24   2.813   5.932  -8.644
  186   HG12  VAL  24          HG12      VAL  24   3.953   7.253  -8.899
  187   HG13  VAL  24          HG13      VAL  24   4.420   5.860  -7.922
  188   HG21  VAL  24          HG21      VAL  24   2.449   5.313 -10.949
  189   HG22  VAL  24          HG22      VAL  24   3.797   5.215 -12.082
  190   HG23  VAL  24          HG23      VAL  24   3.336   6.772 -11.394
  191    H    ASP  25           H        ASP  25   7.048   7.318  -8.585
  192    HA   ASP  25           HA       ASP  25   8.815   5.045  -7.917
  193    HB2  ASP  25           HB3      ASP  25   8.713   7.906  -6.908
  194    HB3  ASP  25           HB2      ASP  25   9.912   6.713  -6.404
  195    H    VAL  26           H        VAL  26   8.182   3.631  -6.346
  196    HA   VAL  26           HA       VAL  26   5.950   4.279  -4.577
  197    HB   VAL  26           HB       VAL  26   6.262   2.017  -3.726
  198   HG11  VAL  26          HG11      VAL  26   5.475   2.603  -6.220
  199   HG12  VAL  26          HG12      VAL  26   5.584   0.939  -5.644
  200   HG13  VAL  26          HG13      VAL  26   6.889   1.623  -6.612
  201   HG21  VAL  26          HG21      VAL  26   8.975   2.492  -4.671
  202   HG22  VAL  26          HG22      VAL  26   8.346   0.952  -5.257
  203   HG23  VAL  26          HG23      VAL  26   8.390   1.286  -3.526
  204    H    ASP  27           H        ASP  27   9.061   5.255  -4.561
  205    HA   ASP  27           HA       ASP  27   9.669   4.827  -1.722
  206    HB2  ASP  27           HB3      ASP  27  11.009   6.477  -3.885
  207    HB3  ASP  27           HB2      ASP  27  11.624   6.314  -2.244
  208    H    LEU  28           H        LEU  28   7.994   7.113  -3.669
  209    HA   LEU  28           HA       LEU  28   8.211   9.274  -1.672
  210    HB2  LEU  28           HB3      LEU  28   8.165   9.788  -4.108
  211    HB3  LEU  28           HB2      LEU  28   6.543   9.112  -4.202
  212    HG   LEU  28           HG       LEU  28   5.830  10.780  -2.448
  213   HD11  LEU  28          HD11      LEU  28   7.503  12.823  -2.459
  214   HD12  LEU  28          HD12      LEU  28   8.701  11.579  -2.816
  215   HD13  LEU  28          HD13      LEU  28   7.748  11.487  -1.335
  216   HD21  LEU  28          HD21      LEU  28   7.005  11.863  -5.028
  217   HD22  LEU  28          HD22      LEU  28   5.827  12.710  -4.027
  218   HD23  LEU  28          HD23      LEU  28   5.385  11.197  -4.820
  219    H    ASP  29           H        ASP  29   6.591   9.769  -0.209
  220    HA   ASP  29           HA       ASP  29   4.743   7.752   0.535
  221    HB2  ASP  29           HB3      ASP  29   4.718  10.734   1.107
  222    HB3  ASP  29           HB2      ASP  29   3.656   9.570   1.898
  223    H    LEU  30           H        LEU  30   2.682   7.339  -0.045
  224    HA   LEU  30           HA       LEU  30   1.677   8.286  -2.546
  225    HB2  LEU  30           HB3      LEU  30   1.204   6.094  -1.126
  226    HB3  LEU  30           HB2      LEU  30  -0.129   7.060  -0.500
  227    HG   LEU  30           HG       LEU  30   0.420   6.590  -3.441
  228   HD11  LEU  30          HD11      LEU  30  -0.730   4.873  -1.495
  229   HD12  LEU  30          HD12      LEU  30  -0.706   4.655  -3.246
  230   HD13  LEU  30          HD13      LEU  30  -2.056   5.492  -2.480
  231   HD21  LEU  30          HD21      LEU  30  -0.814   8.539  -3.437
  232   HD22  LEU  30          HD22      LEU  30  -1.548   8.196  -1.872
  233   HD23  LEU  30          HD23      LEU  30  -2.134   7.378  -3.320
  234    H    VAL  31           H        VAL  31   0.916   9.123   0.816
  235    HA   VAL  31           HA       VAL  31  -1.379  10.718   0.259
  236    HB   VAL  31           HB       VAL  31   0.636  10.892   2.509
  237   HG11  VAL  31          HG11      VAL  31  -1.730  11.982   3.407
  238   HG12  VAL  31          HG12      VAL  31  -1.650  12.587   1.751
  239   HG13  VAL  31          HG13      VAL  31  -0.332  12.917   2.876
  240   HG21  VAL  31          HG21      VAL  31  -0.500   9.125   3.330
  241   HG22  VAL  31          HG22      VAL  31  -1.464   9.078   1.852
  242   HG23  VAL  31          HG23      VAL  31  -2.007  10.036   3.231
  243    H    ASP  32           H        ASP  32   2.070  11.505   0.183
  244    HA   ASP  32           HA       ASP  32   1.906  14.315   0.090
  245    HB2  ASP  32           HB3      ASP  32   3.728  12.438  -1.452
  246    HB3  ASP  32           HB2      ASP  32   3.956  14.186  -1.378
  247    H    ASN  33           H        ASN  33   1.187  11.900  -2.350
  248    HA   ASN  33           HA       ASN  33   0.843  13.745  -4.545
  249    HB2  ASN  33           HB3      ASN  33  -0.168  10.947  -4.044
  250    HB3  ASN  33           HB2      ASN  33  -0.403  11.805  -5.560
  251   HD21  ASN  33          HD22      ASN  33   1.133   9.396  -5.477
  252   HD22  ASN  33          HD21      ASN  33   2.756   9.777  -5.789
  253    H    GLY  34           H        GLY  34  -1.286  12.433  -2.052
  254    HA2  GLY  34           HA3      GLY  34  -3.319  13.417  -1.284
  255    HA3  GLY  34           HA2      GLY  34  -3.261  14.537  -2.649
  256    H    VAL  35           H        VAL  35  -2.641  11.440  -3.732
  257    HA   VAL  35           HA       VAL  35  -5.035  11.264  -5.273
  258    HB   VAL  35           HB       VAL  35  -3.029   9.134  -4.480
  259   HG11  VAL  35          HG11      VAL  35  -4.116   8.178  -6.737
  260   HG12  VAL  35          HG12      VAL  35  -5.519   9.049  -6.120
  261   HG13  VAL  35          HG13      VAL  35  -4.770   7.782  -5.147
  262   HG21  VAL  35          HG21      VAL  35  -2.619  11.297  -6.052
  263   HG22  VAL  35          HG22      VAL  35  -3.292  10.190  -7.248
  264   HG23  VAL  35          HG23      VAL  35  -1.841   9.743  -6.349
  265    H    ILE  36           H        ILE  36  -4.150   9.984  -2.104
  266    HA   ILE  36           HA       ILE  36  -6.622   8.418  -1.896
  267    HB   ILE  36           HB       ILE  36  -4.527   9.114   0.185
  268   HG12  ILE  36          HG13      ILE  36  -4.980   6.542  -1.356
  269   HG13  ILE  36          HG12      ILE  36  -3.772   7.743  -1.782
  270   HG21  ILE  36          HG21      ILE  36  -5.909   6.701   0.740
  271   HG22  ILE  36          HG22      ILE  36  -7.133   7.921   0.393
  272   HG23  ILE  36          HG23      ILE  36  -5.948   8.199   1.670
  273   HD11  ILE  36          HD11      ILE  36  -3.818   5.834   0.493
  274   HD12  ILE  36          HD12      ILE  36  -3.160   7.435   0.824
  275   HD13  ILE  36          HD13      ILE  36  -2.444   6.433  -0.436
  276    H    ASP  37           H        ASP  37  -8.492   9.454  -1.553
  277    HA   ASP  37           HA       ASP  37  -8.513  11.845   0.233
  278    HB2  ASP  37           HB3      ASP  37 -10.237  11.142  -2.158
  279    HB3  ASP  37           HB2      ASP  37 -10.587  12.468  -1.057
  280    H    ALA  38           H        ALA  38 -11.381  11.881   0.424
  281    HA   ALA  38           HA       ALA  38 -11.775  10.019   2.573
  282    HB1  ALA  38           HB1      ALA  38 -14.298  10.677   2.028
  283    HB2  ALA  38           HB2      ALA  38 -13.516  11.916   1.047
  284    HB3  ALA  38           HB3      ALA  38 -13.202  11.836   2.780
  285    H    LEU  39           H        LEU  39 -13.175  10.129  -0.708
  286    HA   LEU  39           HA       LEU  39 -14.320   7.489  -0.531
  287    HB2  LEU  39           HB3      LEU  39 -13.672   9.323  -2.842
  288    HB3  LEU  39           HB2      LEU  39 -14.385   7.733  -3.082
  289    HG   LEU  39           HG       LEU  39 -15.986   9.753  -2.934
  290   HD11  LEU  39          HD11      LEU  39 -16.157   7.065  -1.815
  291   HD12  LEU  39          HD12      LEU  39 -17.340   7.959  -2.769
  292   HD13  LEU  39          HD13      LEU  39 -17.267   8.182  -1.021
  293   HD21  LEU  39          HD21      LEU  39 -14.853  10.730  -0.909
  294   HD22  LEU  39          HD22      LEU  39 -15.475   9.373   0.031
  295   HD23  LEU  39          HD23      LEU  39 -16.590  10.510  -0.720
  296    H    GLY  40           H        GLY  40 -11.269   8.874  -1.519
  297    HA2  GLY  40           HA3      GLY  40 -10.146   6.651  -2.868
  298    HA3  GLY  40           HA2      GLY  40  -9.216   7.879  -2.003
  299    H    LEU  41           H        LEU  41 -10.110   7.524   0.586
  300    HA   LEU  41           HA       LEU  41  -8.611   5.244   1.449
  301    HB2  LEU  41           HB3      LEU  41  -8.999   7.293   2.820
  302    HB3  LEU  41           HB2      LEU  41 -10.694   6.831   2.982
  303    HG   LEU  41           HG       LEU  41  -8.727   4.725   3.676
  304   HD11  LEU  41          HD11      LEU  41  -8.630   5.889   6.029
  305   HD12  LEU  41          HD12      LEU  41  -8.924   7.362   5.104
  306   HD13  LEU  41          HD13      LEU  41  -7.495   6.383   4.771
  307   HD21  LEU  41          HD21      LEU  41 -11.366   4.876   3.919
  308   HD22  LEU  41          HD22      LEU  41 -10.963   5.733   5.407
  309   HD23  LEU  41          HD23      LEU  41 -10.403   4.078   5.162
  310    H    LEU  42           H        LEU  42 -12.070   5.844   0.994
  311    HA   LEU  42           HA       LEU  42 -13.048   3.418   2.118
  312    HB2  LEU  42           HB3      LEU  42 -14.513   5.296   1.447
  313    HB3  LEU  42           HB2      LEU  42 -14.114   5.003  -0.244
  314    HG   LEU  42           HG       LEU  42 -14.928   2.521   0.497
  315   HD11  LEU  42          HD11      LEU  42 -16.916   4.287   1.887
  316   HD12  LEU  42          HD12      LEU  42 -15.513   3.689   2.772
  317   HD13  LEU  42          HD13      LEU  42 -16.658   2.551   2.062
  318   HD21  LEU  42          HD21      LEU  42 -16.415   4.895  -0.601
  319   HD22  LEU  42          HD22      LEU  42 -17.224   3.340  -0.410
  320   HD23  LEU  42          HD23      LEU  42 -15.810   3.474  -1.457
  321    H    LYS  43           H        LYS  43 -12.035   4.210  -1.190
  322    HA   LYS  43           HA       LYS  43 -12.547   1.671  -2.341
  323    HB2  LYS  43           HB3      LYS  43 -10.465   3.748  -3.027
  324    HB3  LYS  43           HB2      LYS  43 -10.822   2.350  -4.031
  325    HG2  LYS  43           HG3      LYS  43 -13.203   3.097  -4.153
  326    HG3  LYS  43           HG2      LYS  43 -12.756   4.550  -3.258
  327    HD2  LYS  43           HD3      LYS  43 -11.098   5.094  -5.046
  328    HD3  LYS  43           HD2      LYS  43 -11.673   3.698  -5.961
  329    HE2  LYS  43           HE3      LYS  43 -12.728   5.888  -6.644
  330    HE3  LYS  43           HE2      LYS  43 -13.884   4.648  -6.156
  331    HZ1  LYS  43           HZ1      LYS  43 -14.236   5.670  -4.114
  332    HZ2  LYS  43           HZ2      LYS  43 -14.163   6.975  -5.195
  333    HZ3  LYS  43           HZ3      LYS  43 -12.822   6.608  -4.218
  334    H    VAL  44           H        VAL  44  -9.772   2.897  -0.527
  335    HA   VAL  44           HA       VAL  44  -7.968   0.764  -1.039
  336    HB   VAL  44           HB       VAL  44  -8.298   2.528   1.394
  337   HG11  VAL  44          HG11      VAL  44  -7.047   0.827   2.330
  338   HG12  VAL  44          HG12      VAL  44  -5.748   1.730   1.550
  339   HG13  VAL  44          HG13      VAL  44  -6.416   0.295   0.772
  340   HG21  VAL  44          HG21      VAL  44  -6.612   3.871   0.425
  341   HG22  VAL  44          HG22      VAL  44  -7.641   3.448  -0.943
  342   HG23  VAL  44          HG23      VAL  44  -6.116   2.598  -0.690
  343    H    ILE  45           H        ILE  45 -10.369   1.170   1.553
  344    HA   ILE  45           HA       ILE  45  -9.837  -1.369   2.783
  345    HB   ILE  45           HB       ILE  45 -12.000   0.685   2.945
  346   HG12  ILE  45          HG13      ILE  45 -11.362   0.539   5.352
  347   HG13  ILE  45          HG12      ILE  45 -10.199  -0.720   4.944
  348   HG21  ILE  45          HG21      ILE  45 -12.193  -2.187   3.840
  349   HG22  ILE  45          HG22      ILE  45 -13.389  -1.222   2.974
  350   HG23  ILE  45          HG23      ILE  45 -13.068  -0.907   4.680
  351   HD11  ILE  45          HD11      ILE  45  -8.749   0.751   3.937
  352   HD12  ILE  45          HD12      ILE  45  -9.520   1.882   5.050
  353   HD13  ILE  45          HD13      ILE  45 -10.047   1.801   3.370
  354    H    ALA  46           H        ALA  46 -12.025  -0.373   0.181
  355    HA   ALA  46           HA       ALA  46 -13.622  -2.755   0.174
  356    HB1  ALA  46           HB1      ALA  46 -14.304  -0.673  -0.956
  357    HB2  ALA  46           HB2      ALA  46 -14.317  -2.038  -2.072
  358    HB3  ALA  46           HB3      ALA  46 -12.992  -0.876  -2.117
  359    H    TRP  47           H        TRP  47 -10.786  -1.880  -1.866
  360    HA   TRP  47           HA       TRP  47 -10.802  -4.557  -3.057
  361    HB2  TRP  47           HB3      TRP  47  -9.662  -3.461  -4.652
  362    HB3  TRP  47           HB2      TRP  47  -9.543  -2.038  -3.618
  363    HD1  TRP  47           HD1      TRP  47  -7.776  -5.474  -3.958
  364    HE1  TRP  47           HE1      TRP  47  -5.277  -5.133  -3.405
  365    HE3  TRP  47           HE3      TRP  47  -7.811  -0.527  -2.820
  366    HZ2  TRP  47           HZ2      TRP  47  -3.526  -3.018  -2.584
  367    HZ3  TRP  47           HZ3      TRP  47  -5.727   0.645  -2.154
  368    HH2  TRP  47           HH2      TRP  47  -3.583  -0.596  -2.038
  369    H    LEU  48           H        LEU  48  -8.834  -2.812  -0.678
  370    HA   LEU  48           HA       LEU  48  -6.865  -4.812  -0.291
  371    HB2  LEU  48           HB3      LEU  48  -6.809  -2.465   0.617
  372    HB3  LEU  48           HB2      LEU  48  -7.994  -2.956   1.822
  373    HG   LEU  48           HG       LEU  48  -5.595  -4.686   1.592
  374   HD11  LEU  48          HD11      LEU  48  -4.512  -2.929   3.255
  375   HD12  LEU  48          HD12      LEU  48  -5.504  -1.787   2.351
  376   HD13  LEU  48          HD13      LEU  48  -4.295  -2.761   1.513
  377   HD21  LEU  48          HD21      LEU  48  -7.287  -5.131   3.293
  378   HD22  LEU  48          HD22      LEU  48  -7.183  -3.471   3.879
  379   HD23  LEU  48          HD23      LEU  48  -5.821  -4.569   4.091
  380    H    GLU  49           H        GLU  49 -10.053  -4.394   1.266
  381    HA   GLU  49           HA       GLU  49  -9.696  -6.662   3.027
  382    HB2  GLU  49           HB3      GLU  49 -11.920  -6.258   3.700
  383    HB3  GLU  49           HB2      GLU  49 -11.309  -4.665   3.287
  384    HG2  GLU  49           HG3      GLU  49 -12.282  -4.988   0.995
  385    HG3  GLU  49           HG2      GLU  49 -13.040  -6.451   1.592
  386    H    ASP  50           H        ASP  50 -11.146  -6.166  -0.160
  387    HA   ASP  50           HA       ASP  50 -12.445  -8.668  -0.429
  388    HB2  ASP  50           HB3      ASP  50 -12.627  -6.706  -1.990
  389    HB3  ASP  50           HB2      ASP  50 -11.047  -7.152  -2.630
  390    H    ARG  51           H        ARG  51  -9.055  -7.798  -1.039
  391    HA   ARG  51           HA       ARG  51  -8.292 -10.217  -2.305
  392    HB2  ARG  51           HB3      ARG  51  -6.711  -8.281  -0.624
  393    HB3  ARG  51           HB2      ARG  51  -5.983  -9.611  -1.516
  394    HG2  ARG  51           HG3      ARG  51  -7.059  -8.720  -3.602
  395    HG3  ARG  51           HG2      ARG  51  -7.588  -7.322  -2.667
  396    HD2  ARG  51           HD3      ARG  51  -4.713  -8.194  -3.063
  397    HD3  ARG  51           HD2      ARG  51  -5.491  -6.825  -3.857
  398    HE   ARG  51           HE       ARG  51  -5.862  -6.268  -1.190
  399   HH11  ARG  51          HH22      ARG  51  -3.175  -7.194  -3.141
  400   HH12  ARG  51          HH21      ARG  51  -2.014  -6.343  -2.180
  401   HH21  ARG  51          HH11      ARG  51  -4.361  -5.151   0.077
  402   HH22  ARG  51          HH12      ARG  51  -2.685  -5.186  -0.357
  403    H    PHE  52           H        PHE  52  -8.344  -9.404   1.183
  404    HA   PHE  52           HA       PHE  52  -7.591 -12.238   1.721
  405    HB2  PHE  52           HB3      PHE  52  -7.391  -9.701   3.333
  406    HB3  PHE  52           HB2      PHE  52  -7.287 -11.284   4.100
  407    HD1  PHE  52           HD1      PHE  52  -5.838  -9.255   1.315
  408    HD2  PHE  52           HD2      PHE  52  -5.263 -12.489   4.082
  409    HE1  PHE  52           HE1      PHE  52  -3.476  -9.456   0.589
  410    HE2  PHE  52           HE2      PHE  52  -2.900 -12.688   3.359
  411    HZ   PHE  52           HZ       PHE  52  -2.007 -11.171   1.613
  412    H    GLY  53           H        GLY  53 -10.266 -10.136   1.707
  413    HA2  GLY  53           HA3      GLY  53 -12.501 -10.562   2.288
  414    HA3  GLY  53           HA2      GLY  53 -12.016 -12.211   2.691
  415    H    ILE  54           H        ILE  54 -10.463  -9.397   4.101
  416    HA   ILE  54           HA       ILE  54 -11.432 -10.332   6.742
  417    HB   ILE  54           HB       ILE  54  -9.654  -8.741   7.606
  418   HG12  ILE  54          HG13      ILE  54  -8.927  -8.657   4.659
  419   HG13  ILE  54          HG12      ILE  54  -9.584  -7.304   5.578
  420   HG21  ILE  54          HG21      ILE  54  -9.207 -11.124   7.432
  421   HG22  ILE  54          HG22      ILE  54  -7.781 -10.246   6.882
  422   HG23  ILE  54          HG23      ILE  54  -8.877 -10.973   5.707
  423   HD11  ILE  54          HD11      ILE  54  -7.609  -7.602   7.168
  424   HD12  ILE  54          HD12      ILE  54  -7.221  -6.983   5.563
  425   HD13  ILE  54          HD13      ILE  54  -6.918  -8.676   5.951
  426    H    ALA  55           H        ALA  55 -12.928  -9.181   7.877
  427    HA   ALA  55           HA       ALA  55 -14.248  -6.925   6.678
  428    HB1  ALA  55           HB1      ALA  55 -15.469  -6.787   8.834
  429    HB2  ALA  55           HB2      ALA  55 -14.346  -7.954   9.531
  430    HB3  ALA  55           HB3      ALA  55 -15.419  -8.439   8.218
  431    H    ALA  56           H        ALA  56 -13.901  -4.753   6.962
  432    HA   ALA  56           HA       ALA  56 -11.413  -3.849   8.075
  433    HB1  ALA  56           HB1      ALA  56 -12.067  -1.701   7.392
  434    HB2  ALA  56           HB2      ALA  56 -13.777  -2.032   7.662
  435    HB3  ALA  56           HB3      ALA  56 -12.950  -2.740   6.275
  436    H    ASP  57           H        ASP  57 -14.678  -4.114   9.351
  437    HA   ASP  57           HA       ASP  57 -14.453  -2.438  11.614
  438    HB2  ASP  57           HB3      ASP  57 -16.535  -3.624  10.817
  439    HB3  ASP  57           HB2      ASP  57 -15.891  -5.090  11.550
  440    H    ASP  58           H        ASP  58 -13.332  -5.759  11.123
  441    HA   ASP  58           HA       ASP  58 -12.675  -6.407  13.790
  442    HB2  ASP  58           HB3      ASP  58 -12.552  -7.946  11.792
  443    HB3  ASP  58           HB2      ASP  58 -11.033  -7.158  11.371
  444    H    VAL  59           H        VAL  59 -10.812  -4.583  11.383
  445    HA   VAL  59           HA       VAL  59  -9.038  -3.673  13.610
  446    HB   VAL  59           HB       VAL  59  -8.176  -4.225  10.767
  447   HG11  VAL  59          HG11      VAL  59  -6.406  -2.944  11.313
  448   HG12  VAL  59          HG12      VAL  59  -6.006  -4.110  12.574
  449   HG13  VAL  59          HG13      VAL  59  -7.030  -2.722  12.947
  450   HG21  VAL  59          HG21      VAL  59  -7.028  -6.171  11.652
  451   HG22  VAL  59          HG22      VAL  59  -8.724  -6.276  12.121
  452   HG23  VAL  59          HG23      VAL  59  -7.515  -5.759  13.296
  453    H    GLU  60           H        GLU  60  -8.784  -1.463  13.712
  454    HA   GLU  60           HA       GLU  60 -10.253   0.134  11.696
  455    HB2  GLU  60           HB3      GLU  60 -10.562   0.557  14.148
  456    HB3  GLU  60           HB2      GLU  60  -8.877   1.053  14.236
  457    HG2  GLU  60           HG3      GLU  60  -9.338   2.788  12.519
  458    HG3  GLU  60           HG2      GLU  60 -11.037   2.334  12.559
  459    H    LEU  61           H        LEU  61  -9.209   1.302  10.137
  460    HA   LEU  61           HA       LEU  61  -6.251   1.249  10.149
  461    HB2  LEU  61           HB3      LEU  61  -8.170   2.063   7.948
  462    HB3  LEU  61           HB2      LEU  61  -6.441   1.800   7.785
  463    HG   LEU  61           HG       LEU  61  -8.499  -0.281   8.526
  464   HD11  LEU  61          HD11      LEU  61  -7.856   0.662   6.043
  465   HD12  LEU  61          HD12      LEU  61  -8.421  -0.979   6.360
  466   HD13  LEU  61          HD13      LEU  61  -6.694  -0.652   6.220
  467   HD21  LEU  61          HD21      LEU  61  -6.335  -1.748   8.150
  468   HD22  LEU  61          HD22      LEU  61  -6.624  -0.990   9.716
  469   HD23  LEU  61          HD23      LEU  61  -5.499  -0.255   8.575
  470    H    SER  62           H        SER  62  -5.042   3.123  10.224
  471    HA   SER  62           HA       SER  62  -6.554   5.658  10.645
  472    HB2  SER  62           HB3      SER  62  -5.320   5.744  12.540
  473    HB3  SER  62           HB2      SER  62  -4.290   4.419  12.009
  474    HG   SER  62           HG       SER  62  -3.268   6.029  10.616
  475    HA   PRO  63           HA       PRO  63  -4.917   7.497   7.014
  476    HB2  PRO  63           HB2      PRO  63  -3.749   9.817   8.138
  477    HB3  PRO  63           HB3      PRO  63  -5.401   9.659   7.521
  478    HG2  PRO  63           HG3      PRO  63  -4.408   9.582  10.299
  479    HG3  PRO  63           HG2      PRO  63  -5.978  10.103   9.669
  480    HD2  PRO  63           HD3      PRO  63  -5.655   7.746  10.985
  481    HD3  PRO  63           HD2      PRO  63  -6.853   7.954   9.686
  482    H    GLU  64           H        GLU  64  -2.819   7.014   9.764
  483    HA   GLU  64           HA       GLU  64  -0.331   7.616   8.441
  484    HB2  GLU  64           HB3      GLU  64  -0.955   5.910  10.856
  485    HB3  GLU  64           HB2      GLU  64   0.666   6.351  10.348
  486    HG2  GLU  64           HG3      GLU  64   0.054   8.741  10.554
  487    HG3  GLU  64           HG2      GLU  64  -1.532   8.261  11.143
  488    H    HIS  65           H        HIS  65  -2.423   4.828   8.585
  489    HA   HIS  65           HA       HIS  65  -0.511   2.869   7.739
  490    HB2  HIS  65           HB3      HIS  65  -2.453   1.868   8.501
  491    HB3  HIS  65           HB2      HIS  65  -3.487   3.087   7.767
  492    HD1  HIS  65           HD1      HIS  65  -2.444  -0.322   7.308
  493    HD2  HIS  65           HD2      HIS  65  -3.418   2.816   4.737
  494    HE1  HIS  65           HE1      HIS  65  -3.005  -1.371   5.069
  495    HE2  HIS  65           HE2      HIS  65  -3.583   0.529   3.496
  496    H    PHE  66           H        PHE  66  -2.108   5.440   6.127
  497    HA   PHE  66           HA       PHE  66  -1.514   4.285   3.463
  498    HB2  PHE  66           HB3      PHE  66  -2.861   6.927   4.066
  499    HB3  PHE  66           HB2      PHE  66  -2.904   6.013   2.563
  500    HD1  PHE  66           HD2      PHE  66  -3.803   5.708   6.187
  501    HD2  PHE  66           HD1      PHE  66  -4.661   4.512   2.152
  502    HE1  PHE  66           HE2      PHE  66  -5.811   4.485   6.978
  503    HE2  PHE  66           HE1      PHE  66  -6.669   3.293   2.944
  504    HZ   PHE  66           HZ       PHE  66  -7.242   3.285   5.357
  505    H    ARG  67           H        ARG  67   0.338   5.521   5.616
  506    HA   ARG  67           HA       ARG  67   1.452   7.944   4.822
  507    HB2  ARG  67           HB3      ARG  67   3.528   7.116   5.842
  508    HB3  ARG  67           HB2      ARG  67   2.136   6.639   6.809
  509    HG2  ARG  67           HG3      ARG  67   2.295   4.533   5.101
  510    HG3  ARG  67           HG2      ARG  67   3.995   4.969   5.220
  511    HD2  ARG  67           HD3      ARG  67   3.342   5.064   7.838
  512    HD3  ARG  67           HD2      ARG  67   2.161   3.877   7.289
  513    HE   ARG  67           HE       ARG  67   4.807   3.272   6.296
  514   HH11  ARG  67          HH22      ARG  67   2.686   3.154   9.010
  515   HH12  ARG  67          HH21      ARG  67   3.449   1.768   9.716
  516   HH21  ARG  67          HH11      ARG  67   5.813   1.463   7.197
  517   HH22  ARG  67          HH12      ARG  67   5.222   0.811   8.688
  518    H    SER  68           H        SER  68   1.999   4.720   3.402
  519    HA   SER  68           HA       SER  68   2.836   5.962   0.908
  520    HB2  SER  68           HB3      SER  68   5.082   5.073   0.833
  521    HB3  SER  68           HB2      SER  68   4.927   6.021   2.309
  522    HG   SER  68           HG       SER  68   5.219   4.264   3.424
  523    H    ILE  69           H        ILE  69   3.089   4.366  -0.805
  524    HA   ILE  69           HA       ILE  69   1.226   2.242  -0.715
  525    HB   ILE  69           HB       ILE  69   3.667   2.407  -2.503
  526   HG12  ILE  69          HG13      ILE  69   1.561   3.504  -3.898
  527   HG13  ILE  69          HG12      ILE  69   1.290   4.126  -2.273
  528   HG21  ILE  69          HG21      ILE  69   2.080   0.359  -2.422
  529   HG22  ILE  69          HG22      ILE  69   2.439   1.067  -3.997
  530   HG23  ILE  69          HG23      ILE  69   0.909   1.425  -3.195
  531   HD11  ILE  69          HD11      ILE  69   3.640   4.555  -4.091
  532   HD12  ILE  69          HD12      ILE  69   3.864   4.658  -2.345
  533   HD13  ILE  69          HD13      ILE  69   2.729   5.738  -3.152
  534    H    ARG  70           H        ARG  70   4.672   2.405  -0.041
  535    HA   ARG  70           HA       ARG  70   5.297  -0.353   0.094
  536    HB2  ARG  70           HB3      ARG  70   6.321   1.880   1.877
  537    HB3  ARG  70           HB2      ARG  70   7.125   0.340   1.578
  538    HG2  ARG  70           HG3      ARG  70   7.677   0.907  -0.620
  539    HG3  ARG  70           HG2      ARG  70   6.402   2.124  -0.729
  540    HD2  ARG  70           HD3      ARG  70   8.591   3.215  -0.521
  541    HD3  ARG  70           HD2      ARG  70   7.620   3.529   0.916
  542    HE   ARG  70           HE       ARG  70   9.269   1.183   1.276
  543   HH11  ARG  70          HH22      ARG  70   9.254   4.629   1.156
  544   HH12  ARG  70          HH21      ARG  70  10.616   4.804   2.210
  545   HH21  ARG  70          HH11      ARG  70  11.048   1.392   2.654
  546   HH22  ARG  70          HH12      ARG  70  11.633   2.972   3.058
  547    H    SER  71           H        SER  71   3.946   1.828   2.557
  548    HA   SER  71           HA       SER  71   3.878  -0.155   4.646
  549    HB2  SER  71           HB3      SER  71   2.613   1.466   5.875
  550    HB3  SER  71           HB2      SER  71   3.791   2.366   4.928
  551    HG   SER  71           HG       SER  71   1.048   2.291   4.759
  552    H    ILE  72           H        ILE  72   1.549   0.899   2.183
  553    HA   ILE  72           HA       ILE  72  -0.711  -0.485   3.218
  554    HB   ILE  72           HB       ILE  72   0.010   0.128   0.337
  555   HG12  ILE  72          HG13      ILE  72  -1.686   1.690   2.312
  556   HG13  ILE  72          HG12      ILE  72  -0.026   2.105   1.878
  557   HG21  ILE  72          HG21      ILE  72  -2.777   0.213   0.841
  558   HG22  ILE  72          HG22      ILE  72  -2.176  -1.293   1.534
  559   HG23  ILE  72          HG23      ILE  72  -1.899  -0.934  -0.170
  560   HD11  ILE  72          HD11      ILE  72  -2.417   2.801   0.496
  561   HD12  ILE  72          HD12      ILE  72  -1.517   1.684  -0.533
  562   HD13  ILE  72          HD13      ILE  72  -0.754   3.169   0.037
  563    H    ASP  73           H        ASP  73   1.655  -1.485   0.723
  564    HA   ASP  73           HA       ASP  73   0.587  -4.113   0.387
  565    HB2  ASP  73           HB3      ASP  73   3.442  -3.147   0.031
  566    HB3  ASP  73           HB2      ASP  73   2.763  -4.622  -0.644
  567    H    ALA  74           H        ALA  74   3.132  -2.808   2.487
  568    HA   ALA  74           HA       ALA  74   3.854  -5.312   3.692
  569    HB1  ALA  74           HB1      ALA  74   4.149  -2.440   4.597
  570    HB2  ALA  74           HB2      ALA  74   5.387  -3.476   3.882
  571    HB3  ALA  74           HB3      ALA  74   4.794  -3.803   5.511
  572    H    PHE  75           H        PHE  75   1.467  -2.829   4.518
  573    HA   PHE  75           HA       PHE  75   0.764  -3.784   7.092
  574    HB2  PHE  75           HB3      PHE  75  -0.034  -1.634   6.121
  575    HB3  PHE  75           HB2      PHE  75  -1.076  -2.553   5.038
  576    HD1  PHE  75           HD1      PHE  75  -0.425  -1.667   8.571
  577    HD2  PHE  75           HD2      PHE  75  -3.096  -3.617   5.829
  578    HE1  PHE  75           HE1      PHE  75  -2.148  -1.808  10.350
  579    HE2  PHE  75           HE2      PHE  75  -4.819  -3.759   7.607
  580    HZ   PHE  75           HZ       PHE  75  -4.345  -2.854   9.868
  581    H    VAL  76           H        VAL  76  -0.623  -4.647   3.908
  582    HA   VAL  76           HA       VAL  76  -2.482  -6.556   4.978
  583    HB   VAL  76           HB       VAL  76  -1.265  -6.228   2.225
  584   HG11  VAL  76          HG11      VAL  76  -3.597  -7.549   1.836
  585   HG12  VAL  76          HG12      VAL  76  -3.097  -8.247   3.376
  586   HG13  VAL  76          HG13      VAL  76  -2.035  -8.357   1.973
  587   HG21  VAL  76          HG21      VAL  76  -4.102  -5.645   3.035
  588   HG22  VAL  76          HG22      VAL  76  -3.161  -4.954   1.713
  589   HG23  VAL  76          HG23      VAL  76  -2.835  -4.467   3.377
  590    H    VAL  77           H        VAL  77   0.730  -6.969   3.434
  591    HA   VAL  77           HA       VAL  77   0.767  -9.822   3.818
  592    HB   VAL  77           HB       VAL  77   2.930  -7.776   3.277
  593   HG11  VAL  77          HG11      VAL  77   4.040  -9.556   4.413
  594   HG12  VAL  77          HG12      VAL  77   4.295  -9.847   2.693
  595   HG13  VAL  77          HG13      VAL  77   3.084 -10.779   3.575
  596   HG21  VAL  77          HG21      VAL  77   1.503  -8.065   1.384
  597   HG22  VAL  77          HG22      VAL  77   1.409  -9.809   1.628
  598   HG23  VAL  77          HG23      VAL  77   2.909  -9.078   1.064
  599    H    GLY  78           H        GLY  78   2.212  -7.110   5.608
  600    HA2  GLY  78           HA3      GLY  78   3.562  -8.660   7.571
  601    HA3  GLY  78           HA2      GLY  78   3.039  -6.992   7.794
  602    H    ALA  79           H        ALA  79   0.231  -7.424   7.470
  603    HA   ALA  79           HA       ALA  79  -0.444  -8.216  10.147
  604    HB1  ALA  79           HB1      ALA  79  -1.821  -6.596   8.991
  605    HB2  ALA  79           HB2      ALA  79  -2.811  -8.018   9.324
  606    HB3  ALA  79           HB3      ALA  79  -2.170  -7.749   7.702
  607    H    THR  80           H        THR  80  -0.767  -9.869   7.012
  608    HA   THR  80           HA       THR  80  -2.009 -12.203   8.273
  609    HB   THR  80           HB       THR  80  -2.013 -13.156   6.035
  610    HG1  THR  80           HG1      THR  80  -0.595 -10.883   5.159
  611   HG21  THR  80          HG21      THR  80  -3.065 -10.541   6.673
  612   HG22  THR  80          HG22      THR  80  -3.792 -11.821   5.702
  613   HG23  THR  80          HG23      THR  80  -2.709 -10.651   4.949
  614    H    THR  81           H        THR  81   1.181 -11.195   7.253
  615    HA   THR  81           HA       THR  81   2.242 -13.725   8.392
  616    HB   THR  81           HB       THR  81   4.101 -13.134   6.514
  617    HG1  THR  81           HG1      THR  81   1.725 -12.727   5.113
  618   HG21  THR  81          HG21      THR  81   2.992 -15.316   6.910
  619   HG22  THR  81          HG22      THR  81   3.107 -14.940   5.191
  620   HG23  THR  81          HG23      THR  81   1.574 -14.730   6.038
  621    HA   PRO  82           HA       PRO  82   4.863 -11.059  10.748
  622    HB2  PRO  82           HB2      PRO  82   7.134 -12.599  10.951
  623    HB3  PRO  82           HB3      PRO  82   5.661 -12.875  11.900
  624    HG2  PRO  82           HG3      PRO  82   6.638 -14.276   9.467
  625    HG3  PRO  82           HG2      PRO  82   5.801 -14.924  10.888
  626    HD2  PRO  82           HD3      PRO  82   4.540 -14.463   8.504
  627    HD3  PRO  82           HD2      PRO  82   3.707 -14.377  10.072
  628    HA   PRO  83           HA       PRO  83   7.236  -9.363   7.238
  629    HB2  PRO  83           HB2      PRO  83   7.391  -6.795   8.174
  630    HB3  PRO  83           HB3      PRO  83   6.000  -7.447   7.295
  631    HG2  PRO  83           HG3      PRO  83   6.322  -6.889  10.170
  632    HG3  PRO  83           HG2      PRO  83   4.861  -6.887   9.172
  633    HD2  PRO  83           HD3      PRO  83   5.635  -8.923  10.942
  634    HD3  PRO  83           HD2      PRO  83   4.398  -9.064   9.676
  635    H    VAL  84           H        VAL  84   9.394  -8.656   6.947
  636    HA   VAL  84           HA       VAL  84  11.111  -8.998   9.363
  637    HB   VAL  84           HB       VAL  84  12.940  -9.402   7.766
  638   HG11  VAL  84          HG11      VAL  84  10.397 -10.948   7.671
  639   HG12  VAL  84          HG12      VAL  84  12.008 -11.461   8.176
  640   HG13  VAL  84          HG13      VAL  84  11.616 -11.347   6.461
  641   HG21  VAL  84          HG21      VAL  84  10.902  -8.342   5.892
  642   HG22  VAL  84          HG22      VAL  84  11.836  -9.714   5.294
  643   HG23  VAL  84          HG23      VAL  84  12.662  -8.245   5.812
  644    H    GLU  85           H        GLU  85  12.480  -7.322  10.006
  645    HA   GLU  85           HA       GLU  85  13.014  -5.036  10.271
  646    HB2  GLU  85           HB3      GLU  85  14.560  -5.818   8.448
  647    HB3  GLU  85           HB2      GLU  85  13.379  -5.253   7.266
  648    HG2  GLU  85           HG3      GLU  85  13.528  -2.971   8.260
  649    HG3  GLU  85           HG2      GLU  85  14.789  -3.556   9.345
  650    H    ALA  86           H        ALA  86  10.537  -4.829  10.628
  651    HA   ALA  86           HA       ALA  86   8.689  -3.970   8.742
  652    HB1  ALA  86           HB1      ALA  86   9.069  -3.583  11.627
  653    HB2  ALA  86           HB2      ALA  86   7.596  -3.942  10.726
  654    HB3  ALA  86           HB3      ALA  86   8.163  -2.277  10.862
  655    H    LYS  87           H        LYS  87   8.089  -1.911   7.901
  656    HA   LYS  87           HA       LYS  87  10.183  -0.244   6.999
  657    HB2  LYS  87           HB3      LYS  87   7.877  -0.344   6.027
  658    HB3  LYS  87           HB2      LYS  87   7.288   0.554   7.424
  659    HG2  LYS  87           HG3      LYS  87   8.847   2.407   6.865
  660    HG3  LYS  87           HG2      LYS  87   9.361   1.516   5.431
  661    HD2  LYS  87           HD3      LYS  87   6.968   1.493   4.665
  662    HD3  LYS  87           HD2      LYS  87   6.573   2.546   6.023
  663    HE2  LYS  87           HE3      LYS  87   8.216   3.145   3.582
  664    HE3  LYS  87           HE2      LYS  87   6.931   4.102   4.321
  665    HZ1  LYS  87           HZ1      LYS  87   8.984   5.151   4.815
  666    HZ2  LYS  87           HZ2      LYS  87   9.689   3.700   5.336
  667    HZ3  LYS  87           HZ3      LYS  87   8.451   4.417   6.251
  668    H    LEU  88           H        LEU  88   8.161   0.000   9.901
  669    HA   LEU  88           HA       LEU  88   9.489   2.534  10.662
  670    HB2  LEU  88           HB3      LEU  88   7.423   0.909  12.177
  671    HB3  LEU  88           HB2      LEU  88   7.923   2.562  12.530
  672    HG   LEU  88           HG       LEU  88   6.515   1.609  10.020
  673   HD11  LEU  88          HD11      LEU  88   5.334   3.786  11.568
  674   HD12  LEU  88          HD12      LEU  88   5.493   2.307  12.517
  675   HD13  LEU  88          HD13      LEU  88   4.596   2.288  10.999
  676   HD21  LEU  88          HD21      LEU  88   6.440   4.245   9.761
  677   HD22  LEU  88          HD22      LEU  88   7.848   3.338   9.209
  678   HD23  LEU  88          HD23      LEU  88   7.889   4.171  10.763
  679    H    GLN  89           H        GLN  89  10.963   2.687  12.364
  680    HA   GLN  89           HA       GLN  89  12.207   0.143  13.195
  681    HB2  GLN  89           HB3      GLN  89  12.984   3.032  13.702
  682    HB3  GLN  89           HB2      GLN  89  13.933   1.634  14.207
  683    HG2  GLN  89           HG3      GLN  89  14.159   0.915  11.871
  684    HG3  GLN  89           HG2      GLN  89  13.169   2.275  11.344
  685   HE21  GLN  89          HE22      GLN  89  15.845   1.993  10.401
  686   HE22  GLN  89          HE21      GLN  89  16.788   3.243  11.058
  Start of MODEL    6
    1    H1   SER  -1           H1       SER  -1   7.340  -8.811  -7.963
    2    H2   SER  -1           H2       SER  -1   8.758  -9.161  -7.095
    3    H3   SER  -1           H3       SER  -1   8.741  -7.891  -8.224
    4    HA   SER  -1           HA       SER  -1   7.552  -6.488  -6.874
    5    HB2  SER  -1           HB3      SER  -1   6.246  -8.952  -6.167
    6    HB3  SER  -1           HB2      SER  -1   6.677  -8.083  -4.696
    7    HG   SER  -1           HG       SER  -1   5.705  -6.211  -5.720
    8    H    GLU   0           H        GLU   0   8.933  -5.346  -5.604
    9    HA   GLU   0           HA       GLU   0  11.301  -6.434  -4.486
   10    HB2  GLU   0           HB3      GLU   0  10.905  -4.003  -4.954
   11    HB3  GLU   0           HB2      GLU   0   9.837  -3.947  -3.551
   12    HG2  GLU   0           HG3      GLU   0  11.724  -4.739  -2.125
   13    HG3  GLU   0           HG2      GLU   0  12.783  -4.666  -3.535
   14    H    MET   1           H        MET   1   8.091  -5.945  -3.074
   15    HA   MET   1           HA       MET   1   9.054  -7.256  -0.569
   16    HB2  MET   1           HB3      MET   1   6.562  -5.583  -1.045
   17    HB3  MET   1           HB2      MET   1   7.109  -6.221   0.510
   18    HG2  MET   1           HG3      MET   1   9.258  -4.926   0.167
   19    HG3  MET   1           HG2      MET   1   8.488  -4.153  -1.216
   20    HE1  MET   1           HE1      MET   1   9.720  -2.573   0.884
   21    HE2  MET   1           HE2      MET   1   8.550  -1.415   1.533
   22    HE3  MET   1           HE3      MET   1   8.682  -1.659  -0.207
   23    H    GLN   2           H        GLN   2   5.808  -7.231  -0.525
   24    HA   GLN   2           HA       GLN   2   5.594  -9.954  -1.753
   25    HB2  GLN   2           HB3      GLN   2   5.298  -9.849   0.750
   26    HB3  GLN   2           HB2      GLN   2   3.910  -8.792   0.491
   27    HG2  GLN   2           HG3      GLN   2   3.019 -11.000   0.710
   28    HG3  GLN   2           HG2      GLN   2   2.962 -10.622  -1.012
   29   HE21  GLN   2          HE22      GLN   2   3.768 -12.272  -2.306
   30   HE22  GLN   2          HE21      GLN   2   4.950 -13.396  -1.835
   31    H    HIS   3           H        HIS   3   4.543  -9.709  -3.698
   32    HA   HIS   3           HA       HIS   3   3.078  -8.784  -5.301
   33    HB2  HIS   3           HB3      HIS   3   1.228  -8.557  -2.906
   34    HB3  HIS   3           HB2      HIS   3   0.760  -8.708  -4.600
   35    HD1  HIS   3           HD1      HIS   3   2.244 -11.013  -5.662
   36    HD2  HIS   3           HD2      HIS   3   0.832 -11.023  -1.737
   37    HE1  HIS   3           HE1      HIS   3   2.111 -13.443  -4.952
   38    HE2  HIS   3           HE2      HIS   3   1.255 -13.459  -2.565
   39    H    ALA   4           H        ALA   4   4.854  -6.976  -3.771
   40    HA   ALA   4           HA       ALA   4   3.566  -4.584  -2.964
   41    HB1  ALA   4           HB1      ALA   4   5.703  -4.031  -2.542
   42    HB2  ALA   4           HB2      ALA   4   6.034  -3.948  -4.273
   43    HB3  ALA   4           HB3      ALA   4   6.236  -5.472  -3.409
   44    H    SER   5           H        SER   5   4.707  -5.617  -6.178
   45    HA   SER   5           HA       SER   5   4.100  -3.170  -7.529
   46    HB2  SER   5           HB3      SER   5   4.279  -4.458  -9.573
   47    HB3  SER   5           HB2      SER   5   5.506  -5.040  -8.452
   48    HG   SER   5           HG       SER   5   3.215  -6.352  -8.027
   49    H    VAL   6           H        VAL   6   2.124  -5.937  -6.623
   50    HA   VAL   6           HA       VAL   6  -0.123  -5.338  -8.295
   51    HB   VAL   6           HB       VAL   6   0.064  -6.765  -5.641
   52   HG11  VAL   6          HG11      VAL   6  -2.190  -6.436  -5.606
   53   HG12  VAL   6          HG12      VAL   6  -2.206  -7.694  -6.841
   54   HG13  VAL   6          HG13      VAL   6  -2.245  -5.994  -7.312
   55   HG21  VAL   6          HG21      VAL   6  -0.574  -8.110  -8.222
   56   HG22  VAL   6          HG22      VAL   6   0.373  -8.697  -6.855
   57   HG23  VAL   6          HG23      VAL   6   1.087  -7.559  -7.998
   58    H    ILE   7           H        ILE   7   0.661  -4.421  -4.952
   59    HA   ILE   7           HA       ILE   7  -1.716  -2.945  -4.416
   60    HB   ILE   7           HB       ILE   7   1.092  -2.395  -3.409
   61   HG12  ILE   7          HG13      ILE   7  -1.085  -4.100  -2.161
   62   HG13  ILE   7          HG12      ILE   7   0.255  -4.762  -3.097
   63   HG21  ILE   7          HG21      ILE   7  -0.188  -1.500  -1.428
   64   HG22  ILE   7          HG22      ILE   7  -1.664  -1.670  -2.377
   65   HG23  ILE   7          HG23      ILE   7  -0.401  -0.558  -2.905
   66   HD11  ILE   7          HD11      ILE   7   1.407  -2.971  -1.235
   67   HD12  ILE   7          HD12      ILE   7   1.514  -4.731  -1.235
   68   HD13  ILE   7          HD13      ILE   7   0.226  -3.925  -0.339
   69    H    ALA   8           H        ALA   8   1.399  -1.956  -5.814
   70    HA   ALA   8           HA       ALA   8   0.816   0.813  -6.078
   71    HB1  ALA   8           HB1      ALA   8   2.752   0.928  -7.344
   72    HB2  ALA   8           HB2      ALA   8   2.414  -0.583  -8.187
   73    HB3  ALA   8           HB3      ALA   8   3.014  -0.614  -6.528
   74    H    GLN   9           H        GLN   9   0.040  -1.959  -8.135
   75    HA   GLN   9           HA       GLN   9  -0.917  -0.462 -10.381
   76    HB2  GLN   9           HB3      GLN   9  -0.394  -2.919 -10.389
   77    HB3  GLN   9           HB2      GLN   9  -1.870  -3.185  -9.460
   78    HG2  GLN   9           HG3      GLN   9  -3.174  -2.081 -11.275
   79    HG3  GLN   9           HG2      GLN   9  -1.689  -1.937 -12.218
   80   HE21  GLN   9          HE22      GLN   9  -1.191  -4.746 -10.617
   81   HE22  GLN   9          HE21      GLN   9  -1.880  -5.850 -11.708
   82    H    PHE  10           H        PHE  10  -2.565  -1.690  -7.473
   83    HA   PHE  10           HA       PHE  10  -5.204  -0.957  -8.274
   84    HB2  PHE  10           HB3      PHE  10  -3.887  -1.404  -5.615
   85    HB3  PHE  10           HB2      PHE  10  -5.533  -0.778  -5.685
   86    HD1  PHE  10           HD2      PHE  10  -7.286  -2.089  -6.976
   87    HD2  PHE  10           HD1      PHE  10  -3.437  -3.708  -5.971
   88    HE1  PHE  10           HE2      PHE  10  -8.155  -4.381  -7.343
   89    HE2  PHE  10           HE1      PHE  10  -4.309  -6.001  -6.335
   90    HZ   PHE  10           HZ       PHE  10  -6.667  -6.337  -7.017
   91    H    VAL  11           H        VAL  11  -2.872   0.857  -6.250
   92    HA   VAL  11           HA       VAL  11  -4.565   3.143  -5.964
   93    HB   VAL  11           HB       VAL  11  -2.435   4.341  -5.398
   94   HG11  VAL  11          HG11      VAL  11  -2.887   3.469  -3.372
   95   HG12  VAL  11          HG12      VAL  11  -1.880   2.081  -3.785
   96   HG13  VAL  11          HG13      VAL  11  -3.612   2.043  -4.115
   97   HG21  VAL  11          HG21      VAL  11  -0.378   2.887  -5.290
   98   HG22  VAL  11          HG22      VAL  11  -0.913   3.249  -6.931
   99   HG23  VAL  11          HG23      VAL  11  -1.261   1.677  -6.218
  100    H    VAL  12           H        VAL  12  -2.058   2.330  -8.361
  101    HA   VAL  12           HA       VAL  12  -2.175   4.821  -9.768
  102    HB   VAL  12           HB       VAL  12  -1.439   2.043 -10.708
  103   HG11  VAL  12          HG11      VAL  12  -1.076   4.736 -12.050
  104   HG12  VAL  12          HG12      VAL  12  -2.070   3.402 -12.638
  105   HG13  VAL  12          HG13      VAL  12  -0.315   3.240 -12.589
  106   HG21  VAL  12          HG21      VAL  12   0.671   4.027 -10.545
  107   HG22  VAL  12          HG22      VAL  12   0.573   2.448  -9.769
  108   HG23  VAL  12          HG23      VAL  12  -0.150   3.857  -8.994
  109    H    GLU  13           H        GLU  13  -3.887   1.724 -10.292
  110    HA   GLU  13           HA       GLU  13  -5.426   2.712 -12.520
  111    HB2  GLU  13           HB3      GLU  13  -5.825   0.368 -10.664
  112    HB3  GLU  13           HB2      GLU  13  -6.826   0.676 -12.074
  113    HG2  GLU  13           HG3      GLU  13  -4.804   0.623 -13.505
  114    HG3  GLU  13           HG2      GLU  13  -3.839   0.235 -12.086
  115    H    GLU  14           H        GLU  14  -5.848   2.765  -9.056
  116    HA   GLU  14           HA       GLU  14  -8.655   3.291  -8.997
  117    HB2  GLU  14           HB3      GLU  14  -7.258   2.643  -7.019
  118    HB3  GLU  14           HB2      GLU  14  -6.573   4.268  -7.028
  119    HG2  GLU  14           HG3      GLU  14  -8.878   5.202  -6.798
  120    HG3  GLU  14           HG2      GLU  14  -9.499   3.556  -6.676
  121    H    PHE  15           H        PHE  15  -5.892   5.414  -9.569
  122    HA   PHE  15           HA       PHE  15  -7.849   7.629 -10.015
  123    HB2  PHE  15           HB3      PHE  15  -6.652   7.925  -7.847
  124    HB3  PHE  15           HB2      PHE  15  -5.125   7.940  -8.729
  125    HD1  PHE  15           HD2      PHE  15  -8.412   9.677  -8.426
  126    HD2  PHE  15           HD1      PHE  15  -4.348   9.906  -9.797
  127    HE1  PHE  15           HE2      PHE  15  -8.710  12.091  -8.909
  128    HE2  PHE  15           HE1      PHE  15  -4.647  12.319 -10.282
  129    HZ   PHE  15           HZ       PHE  15  -6.829  13.413  -9.837
  130    H    LEU  16           H        LEU  16  -4.500   6.532 -10.687
  131    HA   LEU  16           HA       LEU  16  -4.693   8.014 -13.280
  132    HB2  LEU  16           HB3      LEU  16  -2.507   7.665 -11.300
  133    HB3  LEU  16           HB2      LEU  16  -2.048   7.650 -13.001
  134    HG   LEU  16           HG       LEU  16  -3.919   9.776 -12.031
  135   HD11  LEU  16          HD11      LEU  16  -0.901   9.840 -11.724
  136   HD12  LEU  16          HD12      LEU  16  -2.065   9.783 -10.401
  137   HD13  LEU  16          HD13      LEU  16  -1.988  11.201 -11.446
  138   HD21  LEU  16          HD21      LEU  16  -1.638  10.222 -13.902
  139   HD22  LEU  16          HD22      LEU  16  -3.282  10.858 -13.964
  140   HD23  LEU  16          HD23      LEU  16  -2.957   9.201 -14.473
  141    HA   PRO  17           HA       PRO  17  -4.288   3.518 -14.309
  142    HB2  PRO  17           HB2      PRO  17  -6.280   3.444 -16.170
  143    HB3  PRO  17           HB3      PRO  17  -6.566   3.217 -14.436
  144    HG2  PRO  17           HG3      PRO  17  -7.082   5.577 -16.141
  145    HG3  PRO  17           HG2      PRO  17  -7.958   4.993 -14.720
  146    HD2  PRO  17           HD3      PRO  17  -6.146   7.116 -14.735
  147    HD3  PRO  17           HD2      PRO  17  -6.681   6.235 -13.291
  148    H    ASP  18           H        ASP  18  -4.052   6.458 -16.067
  149    HA   ASP  18           HA       ASP  18  -3.198   5.143 -18.561
  150    HB2  ASP  18           HB3      ASP  18  -2.997   7.419 -19.425
  151    HB3  ASP  18           HB2      ASP  18  -4.552   7.226 -18.622
  152    H    VAL  19           H        VAL  19  -1.725   5.435 -15.711
  153    HA   VAL  19           HA       VAL  19   0.930   6.098 -16.931
  154    HB   VAL  19           HB       VAL  19   0.080   6.398 -14.035
  155   HG11  VAL  19          HG11      VAL  19   2.396   7.887 -14.621
  156   HG12  VAL  19          HG12      VAL  19   2.653   6.311 -15.369
  157   HG13  VAL  19          HG13      VAL  19   2.300   6.421 -13.645
  158   HG21  VAL  19          HG21      VAL  19  -0.020   8.181 -16.388
  159   HG22  VAL  19          HG22      VAL  19   0.753   8.889 -14.969
  160   HG23  VAL  19          HG23      VAL  19  -0.898   8.282 -14.863
  161    H    ALA  20           H        ALA  20   2.503   4.547 -16.765
  162    HA   ALA  20           HA       ALA  20   1.768   1.886 -15.936
  163    HB1  ALA  20           HB1      ALA  20   3.830   3.079 -17.446
  164    HB2  ALA  20           HB2      ALA  20   3.547   1.355 -17.201
  165    HB3  ALA  20           HB3      ALA  20   4.623   2.236 -16.115
  166    HA   PRO  21           HA       PRO  21   2.551   2.632 -11.515
  167    HB2  PRO  21           HB2      PRO  21   2.885  -0.327 -11.494
  168    HB3  PRO  21           HB3      PRO  21   1.859   0.698 -10.476
  169    HG2  PRO  21           HG3      PRO  21   0.872  -0.811 -12.460
  170    HG3  PRO  21           HG2      PRO  21   0.162   0.742 -11.994
  171    HD2  PRO  21           HD3      PRO  21   1.740   0.057 -14.413
  172    HD3  PRO  21           HD2      PRO  21   0.535   1.341 -14.165
  173    H    ALA  22           H        ALA  22   4.570   0.690 -13.646
  174    HA   ALA  22           HA       ALA  22   6.793   0.349 -11.868
  175    HB1  ALA  22           HB1      ALA  22   6.371  -0.811 -14.125
  176    HB2  ALA  22           HB2      ALA  22   8.029  -0.314 -13.791
  177    HB3  ALA  22           HB3      ALA  22   7.018   0.652 -14.867
  178    H    ASP  23           H        ASP  23   5.673   3.039 -13.782
  179    HA   ASP  23           HA       ASP  23   8.210   4.492 -13.617
  180    HB2  ASP  23           HB3      ASP  23   6.597   4.795 -15.508
  181    HB3  ASP  23           HB2      ASP  23   5.459   5.521 -14.372
  182    H    VAL  24           H        VAL  24   6.111   3.684 -11.281
  183    HA   VAL  24           HA       VAL  24   6.202   6.355  -9.935
  184    HB   VAL  24           HB       VAL  24   4.615   3.934  -9.067
  185   HG11  VAL  24          HG11      VAL  24   3.338   5.560  -7.800
  186   HG12  VAL  24          HG12      VAL  24   4.223   6.893  -8.541
  187   HG13  VAL  24          HG13      VAL  24   5.048   5.792  -7.439
  188   HG21  VAL  24          HG21      VAL  24   2.673   5.082 -10.183
  189   HG22  VAL  24          HG22      VAL  24   3.880   4.486 -11.324
  190   HG23  VAL  24          HG23      VAL  24   3.816   6.203 -10.922
  191    H    ASP  25           H        ASP  25   7.508   6.576  -8.154
  192    HA   ASP  25           HA       ASP  25   9.085   4.220  -7.325
  193    HB2  ASP  25           HB3      ASP  25   9.221   7.143  -6.517
  194    HB3  ASP  25           HB2      ASP  25  10.329   5.894  -5.942
  195    H    VAL  26           H        VAL  26   8.356   2.978  -5.650
  196    HA   VAL  26           HA       VAL  26   6.177   3.904  -3.951
  197    HB   VAL  26           HB       VAL  26   6.372   1.714  -2.896
  198   HG11  VAL  26          HG11      VAL  26   5.573   0.566  -4.704
  199   HG12  VAL  26          HG12      VAL  26   6.977   0.959  -5.697
  200   HG13  VAL  26          HG13      VAL  26   5.687   2.143  -5.486
  201   HG21  VAL  26          HG21      VAL  26   8.718   1.423  -2.642
  202   HG22  VAL  26          HG22      VAL  26   9.011   1.667  -4.364
  203   HG23  VAL  26          HG23      VAL  26   8.235   0.186  -3.801
  204    H    ASP  27           H        ASP  27   9.354   4.692  -3.978
  205    HA   ASP  27           HA       ASP  27   9.945   4.473  -1.125
  206    HB2  ASP  27           HB3      ASP  27  11.279   6.016  -3.373
  207    HB3  ASP  27           HB2      ASP  27  11.907   5.910  -1.731
  208    H    LEU  28           H        LEU  28   8.518   6.792  -3.304
  209    HA   LEU  28           HA       LEU  28   8.605   8.982  -1.352
  210    HB2  LEU  28           HB3      LEU  28   8.693   9.417  -3.797
  211    HB3  LEU  28           HB2      LEU  28   7.079   8.738  -3.965
  212    HG   LEU  28           HG       LEU  28   6.262  10.469  -2.321
  213   HD11  LEU  28          HD11      LEU  28   7.933  12.508  -2.287
  214   HD12  LEU  28          HD12      LEU  28   9.151  11.260  -2.545
  215   HD13  LEU  28          HD13      LEU  28   8.120  11.203  -1.116
  216   HD21  LEU  28          HD21      LEU  28   5.772  11.013  -4.546
  217   HD22  LEU  28          HD22      LEU  28   7.473  11.169  -4.985
  218   HD23  LEU  28          HD23      LEU  28   6.693  12.421  -4.019
  219    H    ASP  29           H        ASP  29   6.893   9.569  -0.012
  220    HA   ASP  29           HA       ASP  29   5.039   7.590   0.757
  221    HB2  ASP  29           HB3      ASP  29   4.889  10.602   1.086
  222    HB3  ASP  29           HB2      ASP  29   3.823   9.464   1.908
  223    H    LEU  30           H        LEU  30   3.095   6.987  -0.014
  224    HA   LEU  30           HA       LEU  30   2.211   7.809  -2.601
  225    HB2  LEU  30           HB3      LEU  30   1.741   5.585  -1.590
  226    HB3  LEU  30           HB2      LEU  30   0.649   6.363  -0.446
  227    HG   LEU  30           HG       LEU  30  -0.692   7.226  -2.357
  228   HD11  LEU  30          HD11      LEU  30  -0.034   5.685  -4.508
  229   HD12  LEU  30          HD12      LEU  30   1.564   5.998  -3.832
  230   HD13  LEU  30          HD13      LEU  30   0.521   7.344  -4.289
  231   HD21  LEU  30          HD21      LEU  30  -0.722   4.724  -1.251
  232   HD22  LEU  30          HD22      LEU  30  -0.566   4.334  -2.963
  233   HD23  LEU  30          HD23      LEU  30  -1.925   5.305  -2.402
  234    H    VAL  31           H        VAL  31   1.179   8.749   0.657
  235    HA   VAL  31           HA       VAL  31  -1.163  10.170  -0.140
  236    HB   VAL  31           HB       VAL  31   0.664  10.558   2.237
  237   HG11  VAL  31          HG11      VAL  31  -1.649  12.087   1.233
  238   HG12  VAL  31          HG12      VAL  31  -0.419  12.553   2.409
  239   HG13  VAL  31          HG13      VAL  31  -1.797  11.577   2.915
  240   HG21  VAL  31          HG21      VAL  31  -0.638   8.386   1.918
  241   HG22  VAL  31          HG22      VAL  31  -2.108   9.351   2.057
  242   HG23  VAL  31          HG23      VAL  31  -0.980   9.261   3.412
  243    H    ASP  32           H        ASP  32   2.231  11.164  -0.005
  244    HA   ASP  32           HA       ASP  32   1.910  13.951  -0.252
  245    HB2  ASP  32           HB3      ASP  32   3.955  12.120  -1.549
  246    HB3  ASP  32           HB2      ASP  32   4.070  13.880  -1.561
  247    H    ASN  33           H        ASN  33   1.507  11.387  -2.608
  248    HA   ASN  33           HA       ASN  33   1.247  13.094  -4.921
  249    HB2  ASN  33           HB3      ASN  33   0.330  10.280  -4.338
  250    HB3  ASN  33           HB2      ASN  33   0.171  11.043  -5.914
  251   HD21  ASN  33          HD22      ASN  33   1.808   8.722  -5.575
  252   HD22  ASN  33          HD21      ASN  33   3.430   9.167  -5.792
  253    H    GLY  34           H        GLY  34  -1.007  11.822  -2.520
  254    HA2  GLY  34           HA3      GLY  34  -3.113  12.835  -1.963
  255    HA3  GLY  34           HA2      GLY  34  -3.047  13.744  -3.477
  256    H    VAL  35           H        VAL  35  -2.164  10.620  -4.138
  257    HA   VAL  35           HA       VAL  35  -4.495  10.037  -5.679
  258    HB   VAL  35           HB       VAL  35  -2.338   8.205  -4.581
  259   HG11  VAL  35          HG11      VAL  35  -3.844   6.585  -5.140
  260   HG12  VAL  35          HG12      VAL  35  -3.336   6.955  -6.789
  261   HG13  VAL  35          HG13      VAL  35  -4.803   7.682  -6.135
  262   HG21  VAL  35          HG21      VAL  35  -1.197   8.576  -6.572
  263   HG22  VAL  35          HG22      VAL  35  -1.949  10.155  -6.342
  264   HG23  VAL  35          HG23      VAL  35  -2.666   8.990  -7.457
  265    H    ILE  36           H        ILE  36  -3.639   9.434  -2.343
  266    HA   ILE  36           HA       ILE  36  -6.033   7.726  -1.962
  267    HB   ILE  36           HB       ILE  36  -3.915   8.574   0.040
  268   HG12  ILE  36          HG13      ILE  36  -4.204   5.946  -1.443
  269   HG13  ILE  36          HG12      ILE  36  -3.076   7.216  -1.905
  270   HG21  ILE  36          HG21      ILE  36  -5.262   6.068   0.521
  271   HG22  ILE  36          HG22      ILE  36  -6.442   7.371   0.373
  272   HG23  ILE  36          HG23      ILE  36  -5.150   7.480   1.569
  273   HD11  ILE  36          HD11      ILE  36  -2.623   5.188  -0.024
  274   HD12  ILE  36          HD12      ILE  36  -2.877   6.650   0.930
  275   HD13  ILE  36          HD13      ILE  36  -1.615   6.608  -0.302
  276    H    ASP  37           H        ASP  37  -7.850   8.477  -0.994
  277    HA   ASP  37           HA       ASP  37  -7.774  11.103   0.403
  278    HB2  ASP  37           HB3      ASP  37  -8.508  11.369  -2.017
  279    HB3  ASP  37           HB2      ASP  37  -9.909  10.375  -1.619
  280    H    ALA  38           H        ALA  38 -10.426  11.332   1.053
  281    HA   ALA  38           HA       ALA  38 -10.747   9.419   3.152
  282    HB1  ALA  38           HB1      ALA  38 -11.837  11.555   3.371
  283    HB2  ALA  38           HB2      ALA  38 -13.113  10.344   3.257
  284    HB3  ALA  38           HB3      ALA  38 -12.706  11.331   1.853
  285    H    LEU  39           H        LEU  39 -12.553   9.787   0.094
  286    HA   LEU  39           HA       LEU  39 -13.904   7.248   0.373
  287    HB2  LEU  39           HB3      LEU  39 -13.428   9.048  -2.010
  288    HB3  LEU  39           HB2      LEU  39 -14.398   7.583  -2.085
  289    HG   LEU  39           HG       LEU  39 -15.787   8.530  -0.200
  290   HD11  LEU  39          HD11      LEU  39 -14.495  10.197   0.809
  291   HD12  LEU  39          HD12      LEU  39 -15.599  11.145  -0.185
  292   HD13  LEU  39          HD13      LEU  39 -13.952  10.850  -0.738
  293   HD21  LEU  39          HD21      LEU  39 -16.524   8.616  -2.555
  294   HD22  LEU  39          HD22      LEU  39 -15.659  10.138  -2.768
  295   HD23  LEU  39          HD23      LEU  39 -17.044  10.056  -1.680
  296    H    GLY  40           H        GLY  40 -10.929   8.422  -1.027
  297    HA2  GLY  40           HA3      GLY  40 -10.202   6.161  -2.573
  298    HA3  GLY  40           HA2      GLY  40  -9.060   7.292  -1.841
  299    H    LEU  41           H        LEU  41  -9.615   6.930   0.852
  300    HA   LEU  41           HA       LEU  41  -8.155   4.539   1.446
  301    HB2  LEU  41           HB3      LEU  41  -8.206   6.581   2.883
  302    HB3  LEU  41           HB2      LEU  41  -9.879   6.211   3.298
  303    HG   LEU  41           HG       LEU  41  -7.958   3.982   3.654
  304   HD11  LEU  41          HD11      LEU  41  -7.773   6.596   5.128
  305   HD12  LEU  41          HD12      LEU  41  -6.474   5.548   4.559
  306   HD13  LEU  41          HD13      LEU  41  -7.423   5.089   5.974
  307   HD21  LEU  41          HD21      LEU  41 -10.511   4.277   4.306
  308   HD22  LEU  41          HD22      LEU  41  -9.837   5.086   5.720
  309   HD23  LEU  41          HD23      LEU  41  -9.417   3.407   5.381
  310    H    LEU  42           H        LEU  42 -11.607   5.360   1.574
  311    HA   LEU  42           HA       LEU  42 -12.525   2.952   2.786
  312    HB2  LEU  42           HB3      LEU  42 -13.969   4.928   2.422
  313    HB3  LEU  42           HB2      LEU  42 -13.878   4.674   0.681
  314    HG   LEU  42           HG       LEU  42 -14.705   2.215   1.483
  315   HD11  LEU  42          HD11      LEU  42 -16.321   2.397   3.247
  316   HD12  LEU  42          HD12      LEU  42 -16.133   4.149   3.317
  317   HD13  LEU  42          HD13      LEU  42 -14.823   3.098   3.856
  318   HD21  LEU  42          HD21      LEU  42 -17.069   3.194   1.008
  319   HD22  LEU  42          HD22      LEU  42 -15.849   3.288  -0.263
  320   HD23  LEU  42          HD23      LEU  42 -16.209   4.707   0.722
  321    H    LYS  43           H        LYS  43 -12.051   3.801  -0.627
  322    HA   LYS  43           HA       LYS  43 -12.892   1.316  -1.709
  323    HB2  LYS  43           HB3      LYS  43 -10.884   3.323  -2.744
  324    HB3  LYS  43           HB2      LYS  43 -11.501   1.972  -3.687
  325    HG2  LYS  43           HG3      LYS  43 -13.816   2.833  -3.337
  326    HG3  LYS  43           HG2      LYS  43 -13.136   4.233  -2.508
  327    HD2  LYS  43           HD3      LYS  43 -11.817   4.758  -4.566
  328    HD3  LYS  43           HD2      LYS  43 -12.634   3.427  -5.386
  329    HE2  LYS  43           HE3      LYS  43 -13.892   5.348  -5.978
  330    HE3  LYS  43           HE2      LYS  43 -14.832   4.581  -4.697
  331    HZ1  LYS  43           HZ1      LYS  43 -13.900   7.163  -4.728
  332    HZ2  LYS  43           HZ2      LYS  43 -12.884   6.359  -3.634
  333    HZ3  LYS  43           HZ3      LYS  43 -14.567   6.340  -3.400
  334    H    VAL  44           H        VAL  44  -9.797   2.378  -0.407
  335    HA   VAL  44           HA       VAL  44  -8.200   0.212  -1.295
  336    HB   VAL  44           HB       VAL  44  -8.027   1.852   1.241
  337   HG11  VAL  44          HG11      VAL  44  -5.569   1.038   1.069
  338   HG12  VAL  44          HG12      VAL  44  -6.222  -0.253   0.060
  339   HG13  VAL  44          HG13      VAL  44  -6.765  -0.077   1.730
  340   HG21  VAL  44          HG21      VAL  44  -6.154   2.054  -1.087
  341   HG22  VAL  44          HG22      VAL  44  -6.662   3.303   0.051
  342   HG23  VAL  44          HG23      VAL  44  -7.752   2.786  -1.237
  343    H    ILE  45           H        ILE  45 -10.210   0.572   1.607
  344    HA   ILE  45           HA       ILE  45  -9.541  -1.969   2.742
  345    HB   ILE  45           HB       ILE  45 -12.144  -0.475   3.083
  346   HG12  ILE  45          HG13      ILE  45 -10.545   1.208   3.505
  347   HG13  ILE  45          HG12      ILE  45 -10.835   0.511   5.093
  348   HG21  ILE  45          HG21      ILE  45 -11.192  -2.872   4.123
  349   HG22  ILE  45          HG22      ILE  45 -12.510  -1.905   4.783
  350   HG23  ILE  45          HG23      ILE  45 -10.871  -1.700   5.399
  351   HD11  ILE  45          HD11      ILE  45  -8.491  -0.010   3.260
  352   HD12  ILE  45          HD12      ILE  45  -8.845  -1.007   4.671
  353   HD13  ILE  45          HD13      ILE  45  -8.465   0.700   4.871
  354    H    ALA  46           H        ALA  46 -12.131  -0.958   0.519
  355    HA   ALA  46           HA       ALA  46 -13.594  -3.410   0.617
  356    HB1  ALA  46           HB1      ALA  46 -13.369  -1.463  -1.689
  357    HB2  ALA  46           HB2      ALA  46 -14.464  -1.281  -0.319
  358    HB3  ALA  46           HB3      ALA  46 -14.663  -2.634  -1.433
  359    H    TRP  47           H        TRP  47 -11.141  -2.336  -1.796
  360    HA   TRP  47           HA       TRP  47 -11.242  -4.971  -3.071
  361    HB2  TRP  47           HB3      TRP  47 -10.442  -3.753  -4.782
  362    HB3  TRP  47           HB2      TRP  47 -10.146  -2.382  -3.714
  363    HD1  TRP  47           HD1      TRP  47  -8.457  -5.786  -4.502
  364    HE1  TRP  47           HE1      TRP  47  -5.902  -5.447  -4.379
  365    HE3  TRP  47           HE3      TRP  47  -8.304  -0.876  -3.208
  366    HZ2  TRP  47           HZ2      TRP  47  -4.038  -3.345  -3.796
  367    HZ3  TRP  47           HZ3      TRP  47  -6.137   0.286  -2.868
  368    HH2  TRP  47           HH2      TRP  47  -4.004  -0.945  -3.165
  369    H    LEU  48           H        LEU  48  -8.908  -3.212  -1.036
  370    HA   LEU  48           HA       LEU  48  -6.877  -5.182  -1.062
  371    HB2  LEU  48           HB3      LEU  48  -6.715  -2.846  -0.094
  372    HB3  LEU  48           HB2      LEU  48  -7.610  -3.438   1.302
  373    HG   LEU  48           HG       LEU  48  -5.835  -5.236   1.526
  374   HD11  LEU  48          HD11      LEU  48  -4.950  -3.985  -0.910
  375   HD12  LEU  48          HD12      LEU  48  -4.291  -5.406  -0.103
  376   HD13  LEU  48          HD13      LEU  48  -3.702  -3.800   0.321
  377   HD21  LEU  48          HD21      LEU  48  -5.243  -3.808   3.167
  378   HD22  LEU  48          HD22      LEU  48  -5.781  -2.425   2.213
  379   HD23  LEU  48          HD23      LEU  48  -4.138  -3.040   2.027
  380    H    GLU  49           H        GLU  49  -9.717  -4.861   1.084
  381    HA   GLU  49           HA       GLU  49  -8.989  -7.157   2.686
  382    HB2  GLU  49           HB3      GLU  49 -11.114  -6.894   3.727
  383    HB3  GLU  49           HB2      GLU  49 -10.570  -5.263   3.357
  384    HG2  GLU  49           HG3      GLU  49 -12.729  -5.176   2.525
  385    HG3  GLU  49           HG2      GLU  49 -11.855  -5.715   1.093
  386    H    ASP  50           H        ASP  50 -11.020  -6.659  -0.174
  387    HA   ASP  50           HA       ASP  50 -12.229  -9.234  -0.246
  388    HB2  ASP  50           HB3      ASP  50 -12.841  -7.252  -1.670
  389    HB3  ASP  50           HB2      ASP  50 -11.398  -7.577  -2.627
  390    H    ARG  51           H        ARG  51  -9.105  -8.109  -1.479
  391    HA   ARG  51           HA       ARG  51  -8.424 -10.419  -2.971
  392    HB2  ARG  51           HB3      ARG  51  -6.633  -8.487  -1.498
  393    HB3  ARG  51           HB2      ARG  51  -6.093  -9.632  -2.722
  394    HG2  ARG  51           HG3      ARG  51  -8.334  -7.752  -3.372
  395    HG3  ARG  51           HG2      ARG  51  -6.675  -7.153  -3.410
  396    HD2  ARG  51           HD3      ARG  51  -7.676  -9.583  -4.928
  397    HD3  ARG  51           HD2      ARG  51  -7.418  -7.989  -5.631
  398    HE   ARG  51           HE       ARG  51  -5.031  -8.932  -4.300
  399   HH11  ARG  51          HH22      ARG  51  -7.012  -9.227  -7.108
  400   HH12  ARG  51          HH21      ARG  51  -5.709  -9.715  -8.138
  401   HH21  ARG  51          HH11      ARG  51  -3.319  -9.567  -5.631
  402   HH22  ARG  51          HH12      ARG  51  -3.617  -9.908  -7.302
  403    H    PHE  52           H        PHE  52  -7.983  -9.743   0.503
  404    HA   PHE  52           HA       PHE  52  -6.652 -12.374   0.784
  405    HB2  PHE  52           HB3      PHE  52  -7.072 -10.067   2.700
  406    HB3  PHE  52           HB2      PHE  52  -6.327 -11.595   3.161
  407    HD1  PHE  52           HD2      PHE  52  -6.037  -8.701   0.849
  408    HD2  PHE  52           HD1      PHE  52  -4.067 -12.100   2.585
  409    HE1  PHE  52           HE2      PHE  52  -3.881  -7.936  -0.103
  410    HE2  PHE  52           HE1      PHE  52  -1.908 -11.336   1.632
  411    HZ   PHE  52           HZ       PHE  52  -1.815  -9.252   0.290
  412    H    GLY  53           H        GLY  53  -9.772 -11.113   0.914
  413    HA2  GLY  53           HA3      GLY  53 -11.783 -12.157   1.535
  414    HA3  GLY  53           HA2      GLY  53 -10.843 -13.601   1.924
  415    H    ILE  54           H        ILE  54 -10.137 -10.447   3.282
  416    HA   ILE  54           HA       ILE  54 -10.880 -11.547   5.950
  417    HB   ILE  54           HB       ILE  54  -9.251  -9.946   6.860
  418   HG12  ILE  54          HG13      ILE  54  -8.854  -9.201   3.943
  419   HG13  ILE  54          HG12      ILE  54  -9.559  -8.168   5.187
  420   HG21  ILE  54          HG21      ILE  54  -8.478 -12.182   6.130
  421   HG22  ILE  54          HG22      ILE  54  -7.223 -10.965   5.901
  422   HG23  ILE  54          HG23      ILE  54  -8.159 -11.540   4.520
  423   HD11  ILE  54          HD11      ILE  54  -6.731  -9.257   5.167
  424   HD12  ILE  54          HD12      ILE  54  -7.432  -8.284   6.461
  425   HD13  ILE  54          HD13      ILE  54  -7.203  -7.586   4.858
  426    H    ALA  55           H        ALA  55 -11.961 -10.136   7.451
  427    HA   ALA  55           HA       ALA  55 -13.578  -8.041   6.083
  428    HB1  ALA  55           HB1      ALA  55 -15.293  -9.010   7.171
  429    HB2  ALA  55           HB2      ALA  55 -14.559  -8.524   8.699
  430    HB3  ALA  55           HB3      ALA  55 -14.184 -10.101   8.002
  431    H    ALA  56           H        ALA  56 -13.925  -6.005   7.208
  432    HA   ALA  56           HA       ALA  56 -11.567  -4.840   8.273
  433    HB1  ALA  56           HB1      ALA  56 -14.450  -3.960   8.632
  434    HB2  ALA  56           HB2      ALA  56 -13.388  -3.498   7.302
  435    HB3  ALA  56           HB3      ALA  56 -13.034  -2.956   8.942
  436    H    ASP  57           H        ASP  57 -14.142  -6.626   9.810
  437    HA   ASP  57           HA       ASP  57 -14.436  -7.341  12.003
  438    HB2  ASP  57           HB3      ASP  57 -12.105  -8.153  11.655
  439    HB3  ASP  57           HB2      ASP  57 -11.517  -6.620  12.282
  440    H    ASP  58           H        ASP  58 -15.079  -4.651  11.354
  441    HA   ASP  58           HA       ASP  58 -15.588  -2.621  12.399
  442    HB2  ASP  58           HB3      ASP  58 -15.277  -4.466  14.758
  443    HB3  ASP  58           HB2      ASP  58 -15.891  -2.820  14.900
  444    H    VAL  59           H        VAL  59 -12.913  -2.788  11.615
  445    HA   VAL  59           HA       VAL  59 -11.523  -1.390  13.870
  446    HB   VAL  59           HB       VAL  59 -10.264  -2.998  11.639
  447   HG11  VAL  59          HG11      VAL  59  -9.159  -1.476  14.006
  448   HG12  VAL  59          HG12      VAL  59  -8.756  -1.268  12.302
  449   HG13  VAL  59          HG13      VAL  59  -8.230  -2.716  13.162
  450   HG21  VAL  59          HG21      VAL  59 -11.313  -4.528  13.158
  451   HG22  VAL  59          HG22      VAL  59 -10.782  -3.599  14.559
  452   HG23  VAL  59          HG23      VAL  59  -9.606  -4.493  13.595
  453    H    GLU  60           H        GLU  60 -10.813   0.665  13.411
  454    HA   GLU  60           HA       GLU  60 -11.279   1.635  10.631
  455    HB2  GLU  60           HB3      GLU  60 -12.423   2.811  12.523
  456    HB3  GLU  60           HB2      GLU  60 -10.841   3.247  13.159
  457    HG2  GLU  60           HG3      GLU  60 -10.328   4.376  11.007
  458    HG3  GLU  60           HG2      GLU  60 -11.963   4.021  10.465
  459    H    LEU  61           H        LEU  61  -9.559   2.207   9.382
  460    HA   LEU  61           HA       LEU  61  -6.866   2.114  10.610
  461    HB2  LEU  61           HB3      LEU  61  -7.671   2.163   7.688
  462    HB3  LEU  61           HB2      LEU  61  -6.064   1.852   8.325
  463    HG   LEU  61           HG       LEU  61  -8.514   0.147   8.774
  464   HD11  LEU  61          HD11      LEU  61  -6.163   0.028   6.949
  465   HD12  LEU  61          HD12      LEU  61  -7.815  -0.531   6.690
  466   HD13  LEU  61          HD13      LEU  61  -6.702  -1.492   7.663
  467   HD21  LEU  61          HD21      LEU  61  -5.774   0.176   9.991
  468   HD22  LEU  61          HD22      LEU  61  -6.574  -1.375   9.734
  469   HD23  LEU  61          HD23      LEU  61  -7.329  -0.151  10.756
  470    H    SER  62           H        SER  62  -5.461   3.914  10.460
  471    HA   SER  62           HA       SER  62  -6.801   6.467   9.918
  472    HB2  SER  62           HB3      SER  62  -4.574   7.380  10.790
  473    HB3  SER  62           HB2      SER  62  -5.527   6.446  11.938
  474    HG   SER  62           HG       SER  62  -3.907   4.877  10.426
  475    HA   PRO  63           HA       PRO  63  -5.153   6.920   5.846
  476    HB2  PRO  63           HB2      PRO  63  -4.441   9.626   5.940
  477    HB3  PRO  63           HB3      PRO  63  -6.048   8.995   5.539
  478    HG2  PRO  63           HG3      PRO  63  -5.033  10.110   8.091
  479    HG3  PRO  63           HG2      PRO  63  -6.649  10.213   7.371
  480    HD2  PRO  63           HD3      PRO  63  -6.098   8.562   9.446
  481    HD3  PRO  63           HD2      PRO  63  -7.298   8.146   8.200
  482    H    GLU  64           H        GLU  64  -3.255   7.743   8.639
  483    HA   GLU  64           HA       GLU  64  -0.778   8.342   7.327
  484    HB2  GLU  64           HB3      GLU  64  -1.318   7.217  10.080
  485    HB3  GLU  64           HB2      GLU  64   0.220   7.869   9.542
  486    HG2  GLU  64           HG3      GLU  64  -0.896  10.037   9.084
  487    HG3  GLU  64           HG2      GLU  64  -2.390   9.371   9.737
  488    H    HIS  65           H        HIS  65  -2.390   5.371   8.247
  489    HA   HIS  65           HA       HIS  65  -0.114   3.653   7.960
  490    HB2  HIS  65           HB3      HIS  65  -1.906   2.610   9.036
  491    HB3  HIS  65           HB2      HIS  65  -3.087   3.254   7.894
  492    HD1  HIS  65           HD1      HIS  65  -4.015   1.345   6.590
  493    HD2  HIS  65           HD2      HIS  65   0.094   0.940   7.189
  494    HE1  HIS  65           HE1      HIS  65  -3.304  -0.729   5.317
  495    HE2  HIS  65           HE2      HIS  65  -0.805  -0.977   5.667
  496    H    PHE  66           H        PHE  66  -2.109   5.319   5.738
  497    HA   PHE  66           HA       PHE  66  -1.261   3.598   3.484
  498    HB2  PHE  66           HB3      PHE  66  -3.096   6.007   3.418
  499    HB3  PHE  66           HB2      PHE  66  -2.917   4.766   2.181
  500    HD1  PHE  66           HD2      PHE  66  -3.808   5.118   5.815
  501    HD2  PHE  66           HD1      PHE  66  -4.390   2.963   2.144
  502    HE1  PHE  66           HE2      PHE  66  -5.584   3.766   6.890
  503    HE2  PHE  66           HE1      PHE  66  -6.168   1.614   3.225
  504    HZ   PHE  66           HZ       PHE  66  -6.761   2.027   5.597
  505    H    ARG  67           H        ARG  67   0.234   5.773   5.157
  506    HA   ARG  67           HA       ARG  67   0.916   7.999   3.632
  507    HB2  ARG  67           HB3      ARG  67   3.023   7.983   4.857
  508    HB3  ARG  67           HB2      ARG  67   1.725   7.471   5.931
  509    HG2  ARG  67           HG3      ARG  67   2.463   5.079   4.873
  510    HG3  ARG  67           HG2      ARG  67   4.006   5.922   4.847
  511    HD2  ARG  67           HD3      ARG  67   3.170   6.561   7.349
  512    HD3  ARG  67           HD2      ARG  67   2.388   4.992   7.151
  513    HE   ARG  67           HE       ARG  67   4.915   4.417   6.348
  514   HH11  ARG  67          HH22      ARG  67   3.640   6.205   9.008
  515   HH12  ARG  67          HH21      ARG  67   4.966   5.839  10.061
  516   HH21  ARG  67          HH11      ARG  67   6.653   3.932   7.709
  517   HH22  ARG  67          HH12      ARG  67   6.671   4.552   9.325
  518    H    SER  68           H        SER  68   2.024   4.650   3.225
  519    HA   SER  68           HA       SER  68   2.972   5.355   0.527
  520    HB2  SER  68           HB3      SER  68   4.934   5.741   2.060
  521    HB3  SER  68           HB2      SER  68   4.846   4.044   2.518
  522    HG   SER  68           HG       SER  68   5.591   3.481   0.607
  523    H    ILE  69           H        ILE  69   3.302   3.479  -0.796
  524    HA   ILE  69           HA       ILE  69   1.499   1.344  -0.392
  525    HB   ILE  69           HB       ILE  69   4.044   1.265  -2.034
  526   HG12  ILE  69          HG13      ILE  69   1.980   1.974  -3.726
  527   HG13  ILE  69          HG12      ILE  69   1.622   2.908  -2.275
  528   HG21  ILE  69          HG21      ILE  69   1.758   0.093  -3.272
  529   HG22  ILE  69          HG22      ILE  69   1.876  -0.539  -1.631
  530   HG23  ILE  69          HG23      ILE  69   3.237  -0.705  -2.738
  531   HD11  ILE  69          HD11      ILE  69   4.158   3.516  -2.329
  532   HD12  ILE  69          HD12      ILE  69   3.071   4.328  -3.453
  533   HD13  ILE  69          HD13      ILE  69   4.079   2.993  -4.010
  534    H    ARG  70           H        ARG  70   4.874   1.789   0.454
  535    HA   ARG  70           HA       ARG  70   5.613  -0.853   1.130
  536    HB2  ARG  70           HB3      ARG  70   6.388   1.708   2.565
  537    HB3  ARG  70           HB2      ARG  70   7.295   0.197   2.566
  538    HG2  ARG  70           HG3      ARG  70   7.956   0.441   0.336
  539    HG3  ARG  70           HG2      ARG  70   6.632   1.545  -0.039
  540    HD2  ARG  70           HD3      ARG  70   8.700   2.821   0.099
  541    HD3  ARG  70           HD2      ARG  70   7.678   3.246   1.471
  542    HE   ARG  70           HE       ARG  70   9.434   1.096   2.204
  543   HH11  ARG  70          HH22      ARG  70   9.339   4.458   1.449
  544   HH12  ARG  70          HH21      ARG  70  10.705   4.855   2.438
  545   HH21  ARG  70          HH11      ARG  70  11.219   1.594   3.499
  546   HH22  ARG  70          HH12      ARG  70  11.769   3.233   3.598
  547    H    SER  71           H        SER  71   4.070   1.655   3.143
  548    HA   SER  71           HA       SER  71   3.912   0.050   5.517
  549    HB2  SER  71           HB3      SER  71   3.648   2.544   5.446
  550    HB3  SER  71           HB2      SER  71   2.076   2.315   4.688
  551    HG   SER  71           HG       SER  71   2.690   2.250   7.265
  552    H    ILE  72           H        ILE  72   1.636   0.595   2.836
  553    HA   ILE  72           HA       ILE  72  -0.552  -0.844   3.929
  554    HB   ILE  72           HB       ILE  72   0.259  -0.534   1.026
  555   HG12  ILE  72          HG13      ILE  72  -1.556   1.163   2.773
  556   HG13  ILE  72          HG12      ILE  72   0.072   1.616   2.267
  557   HG21  ILE  72          HG21      ILE  72  -1.877  -1.943   2.305
  558   HG22  ILE  72          HG22      ILE  72  -1.585  -1.731   0.579
  559   HG23  ILE  72          HG23      ILE  72  -2.553  -0.551   1.461
  560   HD11  ILE  72          HD11      ILE  72  -0.776   2.442   0.358
  561   HD12  ILE  72          HD12      ILE  72  -2.391   1.905   0.820
  562   HD13  ILE  72          HD13      ILE  72  -1.324   0.822  -0.073
  563    H    ASP  73           H        ASP  73   2.129  -1.939   1.840
  564    HA   ASP  73           HA       ASP  73   1.259  -4.635   1.566
  565    HB2  ASP  73           HB3      ASP  73   3.189  -3.436   0.359
  566    HB3  ASP  73           HB2      ASP  73   4.156  -3.815   1.780
  567    H    ALA  74           H        ALA  74   3.247  -3.067   4.059
  568    HA   ALA  74           HA       ALA  74   3.852  -5.477   5.494
  569    HB1  ALA  74           HB1      ALA  74   3.607  -3.047   7.123
  570    HB2  ALA  74           HB2      ALA  74   4.596  -2.829   5.678
  571    HB3  ALA  74           HB3      ALA  74   5.011  -4.080   6.851
  572    H    PHE  75           H        PHE  75   1.301  -3.027   5.918
  573    HA   PHE  75           HA       PHE  75   0.068  -4.277   8.175
  574    HB2  PHE  75           HB3      PHE  75  -0.382  -1.936   7.387
  575    HB3  PHE  75           HB2      PHE  75  -1.289  -2.620   6.042
  576    HD1  PHE  75           HD2      PHE  75  -1.170  -2.276   9.727
  577    HD2  PHE  75           HD1      PHE  75  -3.478  -3.576   6.346
  578    HE1  PHE  75           HE2      PHE  75  -3.169  -2.499  11.178
  579    HE2  PHE  75           HE1      PHE  75  -5.478  -3.798   7.797
  580    HZ   PHE  75           HZ       PHE  75  -5.323  -3.259  10.213
  581    H    VAL  76           H        VAL  76  -0.526  -4.567   4.680
  582    HA   VAL  76           HA       VAL  76  -2.721  -6.384   4.843
  583    HB   VAL  76           HB       VAL  76  -0.595  -5.916   2.736
  584   HG11  VAL  76          HG11      VAL  76  -3.077  -7.643   2.677
  585   HG12  VAL  76          HG12      VAL  76  -1.411  -8.151   2.395
  586   HG13  VAL  76          HG13      VAL  76  -2.224  -7.109   1.229
  587   HG21  VAL  76          HG21      VAL  76  -3.450  -5.256   2.308
  588   HG22  VAL  76          HG22      VAL  76  -2.007  -4.334   1.890
  589   HG23  VAL  76          HG23      VAL  76  -2.630  -4.296   3.539
  590    H    VAL  77           H        VAL  77   0.794  -6.955   4.499
  591    HA   VAL  77           HA       VAL  77   0.563  -9.821   4.526
  592    HB   VAL  77           HB       VAL  77   2.873  -7.957   5.139
  593   HG11  VAL  77          HG11      VAL  77   2.573 -10.839   5.451
  594   HG12  VAL  77          HG12      VAL  77   3.882  -9.785   5.980
  595   HG13  VAL  77          HG13      VAL  77   3.874 -10.423   4.337
  596   HG21  VAL  77          HG21      VAL  77   3.571  -8.433   2.885
  597   HG22  VAL  77          HG22      VAL  77   1.866  -7.988   2.807
  598   HG23  VAL  77          HG23      VAL  77   2.340  -9.683   2.706
  599    H    GLY  78           H        GLY  78   1.209  -7.384   7.031
  600    HA2  GLY  78           HA3      GLY  78   1.741  -9.140   9.194
  601    HA3  GLY  78           HA2      GLY  78   1.065  -7.523   9.364
  602    H    ALA  79           H        ALA  79  -1.231  -8.379   7.568
  603    HA   ALA  79           HA       ALA  79  -3.048  -9.090   9.671
  604    HB1  ALA  79           HB1      ALA  79  -4.247  -9.742   7.198
  605    HB2  ALA  79           HB2      ALA  79  -3.200  -8.358   6.888
  606    HB3  ALA  79           HB3      ALA  79  -4.450  -8.258   8.128
  607    H    THR  80           H        THR  80  -1.349 -11.023   7.237
  608    HA   THR  80           HA       THR  80  -2.582 -13.456   8.476
  609    HB   THR  80           HB       THR  80  -2.506 -14.554   6.350
  610    HG1  THR  80           HG1      THR  80  -0.468 -13.519   5.777
  611   HG21  THR  80          HG21      THR  80  -4.081 -13.281   5.135
  612   HG22  THR  80          HG22      THR  80  -3.371 -11.751   5.651
  613   HG23  THR  80          HG23      THR  80  -4.284 -12.732   6.799
  614    H    THR  81           H        THR  81   0.378 -12.016   7.198
  615    HA   THR  81           HA       THR  81   1.882 -14.172   8.600
  616    HB   THR  81           HB       THR  81   3.530 -13.441   6.517
  617    HG1  THR  81           HG1      THR  81   1.374 -12.449   5.793
  618   HG21  THR  81          HG21      THR  81   3.049 -15.726   7.383
  619   HG22  THR  81          HG22      THR  81   3.017 -15.654   5.622
  620   HG23  THR  81          HG23      THR  81   1.506 -15.694   6.530
  621    HA   PRO  82           HA       PRO  82   4.187 -11.081  10.750
  622    HB2  PRO  82           HB2      PRO  82   6.644 -12.226   9.512
  623    HB3  PRO  82           HB3      PRO  82   6.290 -11.904  11.218
  624    HG2  PRO  82           HG3      PRO  82   6.221 -14.378  10.127
  625    HG3  PRO  82           HG2      PRO  82   5.231 -13.889  11.510
  626    HD2  PRO  82           HD3      PRO  82   4.389 -14.483   8.755
  627    HD3  PRO  82           HD2      PRO  82   3.409 -14.366  10.233
  628    HA   PRO  83           HA       PRO  83   4.796  -7.909   7.698
  629    HB2  PRO  83           HB2      PRO  83   6.506  -6.242   9.114
  630    HB3  PRO  83           HB3      PRO  83   4.741  -6.252   9.252
  631    HG2  PRO  83           HG3      PRO  83   6.785  -7.424  11.037
  632    HG3  PRO  83           HG2      PRO  83   5.196  -6.748  11.424
  633    HD2  PRO  83           HD3      PRO  83   5.714  -9.441  11.359
  634    HD3  PRO  83           HD2      PRO  83   4.109  -8.747  11.051
  635    H    VAL  84           H        VAL  84   6.325  -7.197   6.163
  636    HA   VAL  84           HA       VAL  84   8.916  -8.673   6.242
  637    HB   VAL  84           HB       VAL  84   7.551  -7.301   3.903
  638   HG11  VAL  84          HG11      VAL  84   9.895  -7.447   3.476
  639   HG12  VAL  84          HG12      VAL  84   9.175  -8.821   2.637
  640   HG13  VAL  84          HG13      VAL  84   9.996  -9.062   4.179
  641   HG21  VAL  84          HG21      VAL  84   6.824  -9.492   3.214
  642   HG22  VAL  84          HG22      VAL  84   6.336  -9.300   4.898
  643   HG23  VAL  84          HG23      VAL  84   7.755 -10.267   4.495
  644    H    GLU  85           H        GLU  85  10.788  -7.524   6.481
  645    HA   GLU  85           HA       GLU  85  12.080  -5.627   7.055
  646    HB2  GLU  85           HB3      GLU  85  12.109  -5.757   4.527
  647    HB3  GLU  85           HB2      GLU  85  10.809  -4.566   4.515
  648    HG2  GLU  85           HG3      GLU  85  12.269  -3.014   5.819
  649    HG3  GLU  85           HG2      GLU  85  13.576  -4.192   5.698
  650    H    ALA  86           H        ALA  86  10.128  -5.419   8.763
  651    HA   ALA  86           HA       ALA  86   8.142  -3.453   8.529
  652    HB1  ALA  86           HB1      ALA  86   8.311  -3.225  11.000
  653    HB2  ALA  86           HB2      ALA  86   9.827  -4.126  10.962
  654    HB3  ALA  86           HB3      ALA  86   8.320  -4.914  10.492
  655    H    LYS  87           H        LYS  87   8.103  -1.200   8.918
  656    HA   LYS  87           HA       LYS  87  10.563   0.202   8.250
  657    HB2  LYS  87           HB3      LYS  87   7.822   1.212   9.050
  658    HB3  LYS  87           HB2      LYS  87   9.149   2.253   8.537
  659    HG2  LYS  87           HG3      LYS  87   9.263   0.942   6.395
  660    HG3  LYS  87           HG2      LYS  87   7.806   0.083   6.903
  661    HD2  LYS  87           HD3      LYS  87   6.633   2.278   7.103
  662    HD3  LYS  87           HD2      LYS  87   8.074   3.071   6.467
  663    HE2  LYS  87           HE3      LYS  87   6.429   0.962   5.035
  664    HE3  LYS  87           HE2      LYS  87   6.453   2.685   4.660
  665    HZ1  LYS  87           HZ1      LYS  87   9.079   1.976   4.659
  666    HZ2  LYS  87           HZ2      LYS  87   8.109   2.192   3.284
  667    HZ3  LYS  87           HZ3      LYS  87   8.318   0.638   3.939
  668    H    LEU  88           H        LEU  88  10.560   2.463   9.769
  669    HA   LEU  88           HA       LEU  88  11.683   1.483  12.287
  670    HB2  LEU  88           HB3      LEU  88  11.286   4.355  11.407
  671    HB3  LEU  88           HB2      LEU  88  12.440   3.747  12.595
  672    HG   LEU  88           HG       LEU  88  12.440   3.141   9.625
  673   HD11  LEU  88          HD11      LEU  88  13.765   5.128  11.333
  674   HD12  LEU  88          HD12      LEU  88  13.575   5.099   9.579
  675   HD13  LEU  88          HD13      LEU  88  14.888   4.199  10.339
  676   HD21  LEU  88          HD21      LEU  88  13.310   1.182  10.503
  677   HD22  LEU  88          HD22      LEU  88  13.896   1.973  11.966
  678   HD23  LEU  88          HD23      LEU  88  14.774   2.165  10.447
  679    H    GLN  89           H        GLN  89  10.841   1.889  14.360
  680    HA   GLN  89           HA       GLN  89   8.216   3.287  14.515
  681    HB2  GLN  89           HB3      GLN  89   8.803   0.529  15.636
  682    HB3  GLN  89           HB2      GLN  89   7.339   1.458  15.959
  683    HG2  GLN  89           HG3      GLN  89   6.887   1.522  13.502
  684    HG3  GLN  89           HG2      GLN  89   8.286   0.478  13.251
  685   HE21  GLN  89          HE22      GLN  89   7.078  -0.488  16.178
  686   HE22  GLN  89          HE21      GLN  89   6.030  -1.720  15.665
  Start of MODEL    7
    1    H1   SER  -1           H1       SER  -1   8.913  -8.575  -8.548
    2    H2   SER  -1           H2       SER  -1   9.164  -7.066  -9.287
    3    H3   SER  -1           H3       SER  -1   7.654  -7.836  -9.411
    4    HA   SER  -1           HA       SER  -1   7.679  -5.986  -7.789
    5    HB2  SER  -1           HB3      SER  -1   6.816  -7.545  -5.865
    6    HB3  SER  -1           HB2      SER  -1   5.945  -7.503  -7.395
    7    HG   SER  -1           HG       SER  -1   6.467  -9.513  -7.686
    8    H    GLU   0           H        GLU   0   9.080  -4.914  -6.492
    9    HA   GLU   0           HA       GLU   0  11.569  -6.001  -5.619
   10    HB2  GLU   0           HB3      GLU   0  10.008  -3.617  -4.575
   11    HB3  GLU   0           HB2      GLU   0  11.690  -3.968  -4.173
   12    HG2  GLU   0           HG3      GLU   0  12.264  -3.875  -6.591
   13    HG3  GLU   0           HG2      GLU   0  10.590  -3.445  -6.951
   14    H    MET   1           H        MET   1   8.402  -5.810  -4.072
   15    HA   MET   1           HA       MET   1   9.526  -7.222  -1.693
   16    HB2  MET   1           HB3      MET   1   6.909  -5.704  -1.993
   17    HB3  MET   1           HB2      MET   1   7.540  -6.410  -0.501
   18    HG2  MET   1           HG3      MET   1   9.596  -4.950  -0.814
   19    HG3  MET   1           HG2      MET   1   8.716  -4.128  -2.098
   20    HE1  MET   1           HE1      MET   1   9.043  -5.193   1.384
   21    HE2  MET   1           HE2      MET   1   7.304  -5.462   1.566
   22    HE3  MET   1           HE3      MET   1   8.081  -4.109   2.385
   23    H    GLN   2           H        GLN   2   6.282  -7.440  -1.584
   24    HA   GLN   2           HA       GLN   2   6.267 -10.122  -2.910
   25    HB2  GLN   2           HB3      GLN   2   5.861 -10.081  -0.425
   26    HB3  GLN   2           HB2      GLN   2   4.430  -9.092  -0.722
   27    HG2  GLN   2           HG3      GLN   2   3.654 -11.350  -0.568
   28    HG3  GLN   2           HG2      GLN   2   3.631 -10.942  -2.283
   29   HE21  GLN   2          HE22      GLN   2   4.568 -12.518  -3.580
   30   HE22  GLN   2          HE21      GLN   2   5.792 -13.587  -3.092
   31    H    HIS   3           H        HIS   3   5.280  -9.925  -4.891
   32    HA   HIS   3           HA       HIS   3   3.825  -9.076  -6.546
   33    HB2  HIS   3           HB3      HIS   3   1.910  -9.027  -4.187
   34    HB3  HIS   3           HB2      HIS   3   1.468  -9.088  -5.893
   35    HD1  HIS   3           HD1      HIS   3   0.538 -11.364  -4.061
   36    HD2  HIS   3           HD2      HIS   3   4.127 -11.466  -6.186
   37    HE1  HIS   3           HE1      HIS   3   1.165 -13.809  -4.295
   38    HE2  HIS   3           HE2      HIS   3   3.348 -13.882  -5.586
   39    H    ALA   4           H        ALA   4   5.415  -7.196  -4.855
   40    HA   ALA   4           HA       ALA   4   3.955  -4.885  -4.128
   41    HB1  ALA   4           HB1      ALA   4   6.506  -4.173  -5.276
   42    HB2  ALA   4           HB2      ALA   4   6.665  -5.639  -4.308
   43    HB3  ALA   4           HB3      ALA   4   6.013  -4.171  -3.582
   44    H    SER   5           H        SER   5   5.439  -5.765  -7.254
   45    HA   SER   5           HA       SER   5   4.738  -3.328  -8.593
   46    HB2  SER   5           HB3      SER   5   5.259  -4.520 -10.645
   47    HB3  SER   5           HB2      SER   5   6.433  -4.976  -9.416
   48    HG   SER   5           HG       SER   5   4.518  -6.472 -10.687
   49    H    VAL   6           H        VAL   6   2.978  -6.332  -8.030
   50    HA   VAL   6           HA       VAL   6   0.890  -5.867  -9.936
   51    HB   VAL   6           HB       VAL   6   0.906  -7.413  -7.342
   52   HG11  VAL   6          HG11      VAL   6  -1.388  -6.894  -7.799
   53   HG12  VAL   6          HG12      VAL   6  -1.129  -8.536  -8.390
   54   HG13  VAL   6          HG13      VAL   6  -1.175  -7.186  -9.525
   55   HG21  VAL   6          HG21      VAL   6   1.325  -8.110 -10.251
   56   HG22  VAL   6          HG22      VAL   6   0.888  -9.334  -9.059
   57   HG23  VAL   6          HG23      VAL   6   2.396  -8.433  -8.888
   58    H    ILE   7           H        ILE   7   1.124  -5.113  -6.466
   59    HA   ILE   7           HA       ILE   7  -1.431  -3.905  -6.198
   60    HB   ILE   7           HB       ILE   7   1.142  -3.217  -4.747
   61   HG12  ILE   7          HG13      ILE   7  -1.067  -5.131  -3.938
   62   HG13  ILE   7          HG12      ILE   7   0.428  -5.649  -4.716
   63   HG21  ILE   7          HG21      ILE   7  -0.531  -1.515  -4.360
   64   HG22  ILE   7          HG22      ILE   7  -0.479  -2.551  -2.932
   65   HG23  ILE   7          HG23      ILE   7  -1.781  -2.733  -4.107
   66   HD11  ILE   7          HD11      ILE   7   0.493  -3.939  -2.236
   67   HD12  ILE   7          HD12      ILE   7   1.757  -4.982  -2.889
   68   HD13  ILE   7          HD13      ILE   7   0.334  -5.693  -2.124
   69    H    ALA   8           H        ALA   8   1.738  -2.421  -6.909
   70    HA   ALA   8           HA       ALA   8   0.761   0.247  -7.163
   71    HB1  ALA   8           HB1      ALA   8   3.223  -0.827  -7.128
   72    HB2  ALA   8           HB2      ALA   8   2.904   0.780  -7.780
   73    HB3  ALA   8           HB3      ALA   8   3.047  -0.601  -8.867
   74    H    GLN   9           H        GLN   9   1.234  -2.295  -9.640
   75    HA   GLN   9           HA       GLN   9   0.460  -0.607 -11.836
   76    HB2  GLN   9           HB3      GLN   9   1.732  -2.737 -12.077
   77    HB3  GLN   9           HB2      GLN   9   0.275  -3.623 -11.626
   78    HG2  GLN   9           HG3      GLN   9  -0.915  -2.574 -13.554
   79    HG3  GLN   9           HG2      GLN   9   0.602  -1.813 -14.034
   80   HE21  GLN   9          HE22      GLN   9  -1.197  -4.197 -15.128
   81   HE22  GLN   9          HE21      GLN   9  -0.034  -5.375 -15.505
   82    H    PHE  10           H        PHE  10  -1.381  -3.034  -9.968
   83    HA   PHE  10           HA       PHE  10  -3.829  -2.525 -11.410
   84    HB2  PHE  10           HB3      PHE  10  -4.270  -4.486 -10.414
   85    HB3  PHE  10           HB2      PHE  10  -2.940  -4.272  -9.280
   86    HD1  PHE  10           HD1      PHE  10  -6.333  -2.757  -9.911
   87    HD2  PHE  10           HD2      PHE  10  -3.499  -4.242  -7.050
   88    HE1  PHE  10           HE1      PHE  10  -7.945  -2.311  -8.078
   89    HE2  PHE  10           HE2      PHE  10  -5.099  -3.796  -5.222
   90    HZ   PHE  10           HZ       PHE  10  -7.330  -2.828  -5.732
   91    H    VAL  11           H        VAL  11  -2.681  -1.481  -8.190
   92    HA   VAL  11           HA       VAL  11  -4.994   0.035  -7.527
   93    HB   VAL  11           HB       VAL  11  -2.972  -0.574  -6.038
   94   HG11  VAL  11          HG11      VAL  11  -1.956   2.120  -6.934
   95   HG12  VAL  11          HG12      VAL  11  -1.418   0.642  -7.732
   96   HG13  VAL  11          HG13      VAL  11  -1.115   0.875  -6.011
   97   HG21  VAL  11          HG21      VAL  11  -4.734   0.704  -5.077
   98   HG22  VAL  11          HG22      VAL  11  -4.347   2.120  -6.056
   99   HG23  VAL  11          HG23      VAL  11  -3.273   1.633  -4.745
  100    H    VAL  12           H        VAL  12  -2.088   0.926  -9.373
  101    HA   VAL  12           HA       VAL  12  -2.694   3.709  -9.615
  102    HB   VAL  12           HB       VAL  12  -1.132   1.830 -11.385
  103   HG11  VAL  12          HG11      VAL  12  -1.592   4.814 -11.596
  104   HG12  VAL  12          HG12      VAL  12  -1.861   3.591 -12.838
  105   HG13  VAL  12          HG13      VAL  12  -0.218   4.008 -12.353
  106   HG21  VAL  12          HG21      VAL  12  -0.473   2.672  -8.944
  107   HG22  VAL  12          HG22      VAL  12   0.013   4.116  -9.832
  108   HG23  VAL  12          HG23      VAL  12   0.736   2.555 -10.222
  109    H    GLU  13           H        GLU  13  -3.551   0.924 -11.680
  110    HA   GLU  13           HA       GLU  13  -4.864   2.461 -13.690
  111    HB2  GLU  13           HB3      GLU  13  -5.238  -0.391 -12.790
  112    HB3  GLU  13           HB2      GLU  13  -6.040   0.292 -14.197
  113    HG2  GLU  13           HG3      GLU  13  -3.840   0.878 -15.160
  114    HG3  GLU  13           HG2      GLU  13  -3.055   0.142 -13.768
  115    H    GLU  14           H        GLU  14  -6.059   1.045 -10.660
  116    HA   GLU  14           HA       GLU  14  -8.824   1.699 -11.158
  117    HB2  GLU  14           HB3      GLU  14  -8.073   0.001  -9.491
  118    HB3  GLU  14           HB2      GLU  14  -7.432   1.308  -8.495
  119    HG2  GLU  14           HG3      GLU  14  -9.708   2.314  -8.392
  120    HG3  GLU  14           HG2      GLU  14 -10.330   0.943  -9.313
  121    H    PHE  15           H        PHE  15  -6.217   3.362  -9.399
  122    HA   PHE  15           HA       PHE  15  -8.002   5.594  -8.731
  123    HB2  PHE  15           HB3      PHE  15  -6.208   4.859  -7.177
  124    HB3  PHE  15           HB2      PHE  15  -5.004   5.347  -8.371
  125    HD1  PHE  15           HD1      PHE  15  -7.810   6.610  -6.268
  126    HD2  PHE  15           HD2      PHE  15  -4.346   7.612  -8.597
  127    HE1  PHE  15           HE1      PHE  15  -7.935   8.946  -5.446
  128    HE2  PHE  15           HE2      PHE  15  -4.472   9.951  -7.778
  129    HZ   PHE  15           HZ       PHE  15  -6.266  10.617  -6.202
  130    H    LEU  16           H        LEU  16  -5.020   5.260 -10.700
  131    HA   LEU  16           HA       LEU  16  -5.938   7.657 -12.236
  132    HB2  LEU  16           HB3      LEU  16  -3.312   6.908 -11.083
  133    HB3  LEU  16           HB2      LEU  16  -3.289   7.652 -12.680
  134    HG   LEU  16           HG       LEU  16  -4.908   8.832 -10.433
  135   HD11  LEU  16          HD11      LEU  16  -2.963   9.272  -9.356
  136   HD12  LEU  16          HD12      LEU  16  -2.628  10.398 -10.672
  137   HD13  LEU  16          HD13      LEU  16  -1.995   8.753 -10.737
  138   HD21  LEU  16          HD21      LEU  16  -4.727   9.385 -13.138
  139   HD22  LEU  16          HD22      LEU  16  -3.612  10.553 -12.428
  140   HD23  LEU  16          HD23      LEU  16  -5.295  10.513 -11.906
  141    HA   PRO  17           HA       PRO  17  -5.580   4.032 -15.140
  142    HB2  PRO  17           HB2      PRO  17  -7.785   4.737 -16.645
  143    HB3  PRO  17           HB3      PRO  17  -7.821   3.628 -15.263
  144    HG2  PRO  17           HG3      PRO  17  -8.657   6.454 -15.440
  145    HG3  PRO  17           HG2      PRO  17  -9.284   5.146 -14.428
  146    HD2  PRO  17           HD3      PRO  17  -7.636   7.164 -13.522
  147    HD3  PRO  17           HD2      PRO  17  -7.805   5.585 -12.735
  148    H    ASP  18           H        ASP  18  -5.633   7.453 -15.476
  149    HA   ASP  18           HA       ASP  18  -4.909   7.333 -18.344
  150    HB2  ASP  18           HB3      ASP  18  -6.486   9.083 -17.511
  151    HB3  ASP  18           HB2      ASP  18  -5.170   9.743 -16.542
  152    H    VAL  19           H        VAL  19  -3.250   6.767 -15.617
  153    HA   VAL  19           HA       VAL  19  -0.795   8.174 -16.610
  154    HB   VAL  19           HB       VAL  19  -1.349   7.234 -13.783
  155   HG11  VAL  19          HG11      VAL  19   0.816   8.950 -15.031
  156   HG12  VAL  19          HG12      VAL  19   1.020   7.356 -14.305
  157   HG13  VAL  19          HG13      VAL  19   0.597   8.738 -13.293
  158   HG21  VAL  19          HG21      VAL  19  -2.879   9.067 -14.449
  159   HG22  VAL  19          HG22      VAL  19  -1.493  10.026 -14.969
  160   HG23  VAL  19          HG23      VAL  19  -1.696   9.621 -13.265
  161    H    ALA  20           H        ALA  20   0.956   6.891 -17.084
  162    HA   ALA  20           HA       ALA  20   0.570   4.009 -17.157
  163    HB1  ALA  20           HB1      ALA  20   1.851   4.775 -18.951
  164    HB2  ALA  20           HB2      ALA  20   3.093   4.165 -17.856
  165    HB3  ALA  20           HB3      ALA  20   2.768   5.895 -17.943
  166    HA   PRO  21           HA       PRO  21   1.970   3.559 -12.842
  167    HB2  PRO  21           HB2      PRO  21   2.436   0.757 -13.728
  168    HB3  PRO  21           HB3      PRO  21   1.524   1.362 -12.333
  169    HG2  PRO  21           HG3      PRO  21   0.332   0.391 -14.534
  170    HG3  PRO  21           HG2      PRO  21  -0.381   1.667 -13.538
  171    HD2  PRO  21           HD3      PRO  21   0.839   1.858 -16.235
  172    HD3  PRO  21           HD2      PRO  21  -0.372   2.902 -15.458
  173    H    ALA  22           H        ALA  22   3.717   2.534 -15.709
  174    HA   ALA  22           HA       ALA  22   6.197   1.861 -14.440
  175    HB1  ALA  22           HB1      ALA  22   6.878   2.876 -16.937
  176    HB2  ALA  22           HB2      ALA  22   5.223   2.308 -17.161
  177    HB3  ALA  22           HB3      ALA  22   6.467   1.198 -16.585
  178    H    ASP  23           H        ASP  23   4.703   4.916 -15.218
  179    HA   ASP  23           HA       ASP  23   7.225   6.398 -14.913
  180    HB2  ASP  23           HB3      ASP  23   5.875   8.387 -15.315
  181    HB3  ASP  23           HB2      ASP  23   5.460   7.154 -16.503
  182    H    VAL  24           H        VAL  24   5.424   4.847 -12.727
  183    HA   VAL  24           HA       VAL  24   5.589   7.037 -10.689
  184    HB   VAL  24           HB       VAL  24   4.091   4.422 -10.441
  185   HG11  VAL  24          HG11      VAL  24   4.744   5.806  -8.394
  186   HG12  VAL  24          HG12      VAL  24   3.024   5.458  -8.576
  187   HG13  VAL  24          HG13      VAL  24   3.652   7.048  -9.008
  188   HG21  VAL  24          HG21      VAL  24   3.236   7.099 -11.560
  189   HG22  VAL  24          HG22      VAL  24   2.067   5.970 -10.874
  190   HG23  VAL  24          HG23      VAL  24   3.029   5.501 -12.276
  191    H    ASP  25           H        ASP  25   7.064   6.792  -9.051
  192    HA   ASP  25           HA       ASP  25   8.711   4.338  -9.060
  193    HB2  ASP  25           HB3      ASP  25   9.749   6.623  -8.903
  194    HB3  ASP  25           HB2      ASP  25   8.970   6.817  -7.330
  195    H    VAL  26           H        VAL  26   8.115   2.665  -7.759
  196    HA   VAL  26           HA       VAL  26   6.040   2.854  -5.802
  197    HB   VAL  26           HB       VAL  26   7.197   0.787  -7.064
  198   HG11  VAL  26          HG11      VAL  26   9.292   1.209  -5.627
  199   HG12  VAL  26          HG12      VAL  26   8.688  -0.447  -5.689
  200   HG13  VAL  26          HG13      VAL  26   8.353   0.561  -4.282
  201   HG21  VAL  26          HG21      VAL  26   5.088   0.625  -5.901
  202   HG22  VAL  26          HG22      VAL  26   5.883   0.777  -4.335
  203   HG23  VAL  26          HG23      VAL  26   6.123  -0.675  -5.309
  204    H    ASP  27           H        ASP  27   8.965   4.276  -5.664
  205    HA   ASP  27           HA       ASP  27   9.370   3.757  -2.759
  206    HB2  ASP  27           HB3      ASP  27  11.146   5.010  -4.870
  207    HB3  ASP  27           HB2      ASP  27  11.550   4.949  -3.158
  208    H    LEU  28           H        LEU  28   7.575   5.741  -4.569
  209    HA   LEU  28           HA       LEU  28   8.279   8.246  -3.139
  210    HB2  LEU  28           HB3      LEU  28   7.828   8.307  -5.594
  211    HB3  LEU  28           HB2      LEU  28   6.179   7.773  -5.276
  212    HG   LEU  28           HG       LEU  28   5.851   9.775  -3.824
  213   HD11  LEU  28          HD11      LEU  28   7.754  11.575  -4.491
  214   HD12  LEU  28          HD12      LEU  28   8.727  10.104  -4.508
  215   HD13  LEU  28          HD13      LEU  28   7.859  10.569  -3.045
  216   HD21  LEU  28          HD21      LEU  28   5.635  11.359  -5.647
  217   HD22  LEU  28          HD22      LEU  28   5.284   9.751  -6.283
  218   HD23  LEU  28          HD23      LEU  28   6.850  10.501  -6.594
  219    H    ASP  29           H        ASP  29   6.998   9.066  -1.518
  220    HA   ASP  29           HA       ASP  29   5.154   7.328  -0.200
  221    HB2  ASP  29           HB3      ASP  29   5.552  10.321   0.084
  222    HB3  ASP  29           HB2      ASP  29   4.628   9.316   1.201
  223    H    LEU  30           H        LEU  30   2.913   7.291  -0.191
  224    HA   LEU  30           HA       LEU  30   1.543   8.148  -2.572
  225    HB2  LEU  30           HB3      LEU  30   0.623   6.950   0.047
  226    HB3  LEU  30           HB2      LEU  30  -0.499   7.338  -1.261
  227    HG   LEU  30           HG       LEU  30   1.937   5.559  -1.572
  228   HD11  LEU  30          HD11      LEU  30  -0.484   4.125  -1.927
  229   HD12  LEU  30          HD12      LEU  30  -0.648   5.023  -0.418
  230   HD13  LEU  30          HD13      LEU  30   0.707   3.917  -0.645
  231   HD21  LEU  30          HD21      LEU  30   0.103   4.984  -3.566
  232   HD22  LEU  30          HD22      LEU  30   1.520   6.014  -3.761
  233   HD23  LEU  30          HD23      LEU  30  -0.046   6.733  -3.401
  234    H    VAL  31           H        VAL  31   1.713   9.425   0.721
  235    HA   VAL  31           HA       VAL  31  -0.456  11.227   0.597
  236    HB   VAL  31           HB       VAL  31   0.769  12.496   2.326
  237   HG11  VAL  31          HG11      VAL  31  -0.102  10.862   3.607
  238   HG12  VAL  31          HG12      VAL  31   1.463  10.057   3.501
  239   HG13  VAL  31          HG13      VAL  31   0.185   9.656   2.353
  240   HG21  VAL  31          HG21      VAL  31   3.018  10.898   1.203
  241   HG22  VAL  31          HG22      VAL  31   3.030  11.206   2.938
  242   HG23  VAL  31          HG23      VAL  31   3.015  12.556   1.802
  243    H    ASP  32           H        ASP  32   2.950  11.766  -0.338
  244    HA   ASP  32           HA       ASP  32   2.609  14.474  -1.173
  245    HB2  ASP  32           HB3      ASP  32   4.542  12.339  -2.134
  246    HB3  ASP  32           HB2      ASP  32   4.657  14.045  -2.567
  247    H    ASN  33           H        ASN  33   2.051  11.392  -2.746
  248    HA   ASN  33           HA       ASN  33   1.595  12.444  -5.390
  249    HB2  ASN  33           HB3      ASN  33   0.760   9.874  -4.045
  250    HB3  ASN  33           HB2      ASN  33   0.509  10.205  -5.752
  251   HD21  ASN  33          HD22      ASN  33   2.192   8.051  -4.925
  252   HD22  ASN  33          HD21      ASN  33   3.796   8.429  -5.335
  253    H    GLY  34           H        GLY  34  -0.471  11.855  -2.588
  254    HA2  GLY  34           HA3      GLY  34  -2.565  12.924  -2.160
  255    HA3  GLY  34           HA2      GLY  34  -2.570  13.520  -3.823
  256    H    VAL  35           H        VAL  35  -1.737  10.287  -3.813
  257    HA   VAL  35           HA       VAL  35  -4.083   9.433  -5.174
  258    HB   VAL  35           HB       VAL  35  -2.023   7.833  -3.626
  259   HG11  VAL  35          HG11      VAL  35  -3.516   6.142  -3.848
  260   HG12  VAL  35          HG12      VAL  35  -3.095   6.181  -5.561
  261   HG13  VAL  35          HG13      VAL  35  -4.511   7.058  -4.980
  262   HG21  VAL  35          HG21      VAL  35  -2.157   7.717  -6.573
  263   HG22  VAL  35          HG22      VAL  35  -0.753   7.872  -5.518
  264   HG23  VAL  35          HG23      VAL  35  -1.710   9.295  -5.928
  265    H    ILE  36           H        ILE  36  -3.216   9.531  -1.775
  266    HA   ILE  36           HA       ILE  36  -5.617   8.036  -0.979
  267    HB   ILE  36           HB       ILE  36  -3.572   9.529   0.693
  268   HG12  ILE  36          HG13      ILE  36  -3.885   6.563   0.137
  269   HG13  ILE  36          HG12      ILE  36  -2.682   7.601  -0.615
  270   HG21  ILE  36          HG21      ILE  36  -6.127   8.390   1.325
  271   HG22  ILE  36          HG22      ILE  36  -4.961   9.138   2.417
  272   HG23  ILE  36          HG23      ILE  36  -4.868   7.410   2.073
  273   HD11  ILE  36          HD11      ILE  36  -2.959   7.219   2.372
  274   HD12  ILE  36          HD12      ILE  36  -1.684   8.108   1.539
  275   HD13  ILE  36          HD13      ILE  36  -1.796   6.357   1.367
  276    H    ASP  37           H        ASP  37  -7.513   8.951  -0.515
  277    HA   ASP  37           HA       ASP  37  -7.684  11.774   0.329
  278    HB2  ASP  37           HB3      ASP  37  -7.836  11.692  -2.212
  279    HB3  ASP  37           HB2      ASP  37  -9.318  10.755  -2.011
  280    H    ALA  38           H        ALA  38 -10.410  12.069   0.354
  281    HA   ALA  38           HA       ALA  38 -11.216  10.416   2.542
  282    HB1  ALA  38           HB1      ALA  38 -12.353  12.494   2.331
  283    HB2  ALA  38           HB2      ALA  38 -13.564  11.284   1.905
  284    HB3  ALA  38           HB3      ALA  38 -12.744  12.196   0.637
  285    H    LEU  39           H        LEU  39 -12.295  10.400  -0.857
  286    HA   LEU  39           HA       LEU  39 -13.662   7.859  -0.591
  287    HB2  LEU  39           HB3      LEU  39 -12.752   9.437  -3.003
  288    HB3  LEU  39           HB2      LEU  39 -13.676   7.945  -3.114
  289    HG   LEU  39           HG       LEU  39 -15.417   9.021  -1.647
  290   HD11  LEU  39          HD11      LEU  39 -13.514  11.319  -1.989
  291   HD12  LEU  39          HD12      LEU  39 -14.381  10.799  -0.545
  292   HD13  LEU  39          HD13      LEU  39 -15.240  11.639  -1.835
  293   HD21  LEU  39          HD21      LEU  39 -14.757   9.609  -4.428
  294   HD22  LEU  39          HD22      LEU  39 -15.737  10.880  -3.698
  295   HD23  LEU  39          HD23      LEU  39 -16.319   9.215  -3.711
  296    H    GLY  40           H        GLY  40 -10.484   8.982  -1.514
  297    HA2  GLY  40           HA3      GLY  40  -9.454   6.602  -2.659
  298    HA3  GLY  40           HA2      GLY  40  -8.482   7.837  -1.855
  299    H    LEU  41           H        LEU  41  -9.446   7.734   0.717
  300    HA   LEU  41           HA       LEU  41  -8.104   5.456   1.800
  301    HB2  LEU  41           HB3      LEU  41  -8.276   7.442   3.137
  302    HB3  LEU  41           HB2      LEU  41 -10.035   7.445   3.013
  303    HG   LEU  41           HG       LEU  41  -8.865   4.954   4.091
  304   HD11  LEU  41          HD11      LEU  41  -8.507   7.634   5.404
  305   HD12  LEU  41          HD12      LEU  41  -7.386   6.274   5.329
  306   HD13  LEU  41          HD13      LEU  41  -8.787   6.205   6.398
  307   HD21  LEU  41          HD21      LEU  41 -11.356   5.824   3.895
  308   HD22  LEU  41          HD22      LEU  41 -10.961   6.670   5.391
  309   HD23  LEU  41          HD23      LEU  41 -10.852   4.912   5.318
  310    H    LEU  42           H        LEU  42 -11.555   6.193   1.361
  311    HA   LEU  42           HA       LEU  42 -12.573   3.866   2.629
  312    HB2  LEU  42           HB3      LEU  42 -14.103   5.623   2.072
  313    HB3  LEU  42           HB2      LEU  42 -13.647   5.569   0.371
  314    HG   LEU  42           HG       LEU  42 -14.654   3.376   0.113
  315   HD11  LEU  42          HD11      LEU  42 -16.039   2.633   2.256
  316   HD12  LEU  42          HD12      LEU  42 -14.768   3.519   3.098
  317   HD13  LEU  42          HD13      LEU  42 -14.353   2.158   2.052
  318   HD21  LEU  42          HD21      LEU  42 -16.563   4.508  -0.234
  319   HD22  LEU  42          HD22      LEU  42 -16.102   5.719   0.962
  320   HD23  LEU  42          HD23      LEU  42 -16.968   4.268   1.465
  321    H    LYS  43           H        LYS  43 -11.667   4.405  -0.778
  322    HA   LYS  43           HA       LYS  43 -12.404   1.796  -1.654
  323    HB2  LYS  43           HB3      LYS  43 -10.324   3.720  -2.708
  324    HB3  LYS  43           HB2      LYS  43 -10.805   2.248  -3.539
  325    HG2  LYS  43           HG3      LYS  43 -13.166   3.072  -3.537
  326    HG3  LYS  43           HG2      LYS  43 -12.596   4.587  -2.836
  327    HD2  LYS  43           HD3      LYS  43 -11.084   4.886  -4.798
  328    HD3  LYS  43           HD2      LYS  43 -11.771   3.428  -5.517
  329    HE2  LYS  43           HE3      LYS  43 -12.947   6.136  -5.243
  330    HE3  LYS  43           HE2      LYS  43 -13.212   4.912  -6.485
  331    HZ1  LYS  43           HZ1      LYS  43 -14.691   3.747  -5.105
  332    HZ2  LYS  43           HZ2      LYS  43 -15.136   5.377  -4.954
  333    HZ3  LYS  43           HZ3      LYS  43 -14.240   4.626  -3.723
  334    H    VAL  44           H        VAL  44  -9.468   3.059  -0.163
  335    HA   VAL  44           HA       VAL  44  -7.762   0.843  -0.663
  336    HB   VAL  44           HB       VAL  44  -7.849   2.828   1.609
  337   HG11  VAL  44          HG11      VAL  44  -5.285   1.871   1.525
  338   HG12  VAL  44          HG12      VAL  44  -6.210   0.406   1.197
  339   HG13  VAL  44          HG13      VAL  44  -6.509   1.326   2.672
  340   HG21  VAL  44          HG21      VAL  44  -7.314   3.409  -0.898
  341   HG22  VAL  44          HG22      VAL  44  -5.772   2.624  -0.558
  342   HG23  VAL  44          HG23      VAL  44  -6.267   4.036   0.375
  343    H    ILE  45           H        ILE  45  -9.798   1.497   2.201
  344    HA   ILE  45           HA       ILE  45  -9.174  -1.001   3.466
  345    HB   ILE  45           HB       ILE  45 -11.437   0.970   3.821
  346   HG12  ILE  45          HG13      ILE  45 -10.108   1.129   6.092
  347   HG13  ILE  45          HG12      ILE  45  -8.790   0.431   5.156
  348   HG21  ILE  45          HG21      ILE  45 -10.846  -1.634   5.207
  349   HG22  ILE  45          HG22      ILE  45 -12.383  -1.044   4.576
  350   HG23  ILE  45          HG23      ILE  45 -11.698  -0.333   6.037
  351   HD11  ILE  45          HD11      ILE  45  -8.812   2.953   5.196
  352   HD12  ILE  45          HD12      ILE  45 -10.327   2.896   4.296
  353   HD13  ILE  45          HD13      ILE  45  -8.849   2.254   3.579
  354    H    ALA  46           H        ALA  46 -11.871  -0.008   1.360
  355    HA   ALA  46           HA       ALA  46 -13.393  -2.411   1.704
  356    HB1  ALA  46           HB1      ALA  46 -14.553  -1.683  -0.375
  357    HB2  ALA  46           HB2      ALA  46 -13.330  -0.429  -0.578
  358    HB3  ALA  46           HB3      ALA  46 -14.406  -0.394   0.819
  359    H    TRP  47           H        TRP  47 -11.172  -1.490  -0.975
  360    HA   TRP  47           HA       TRP  47 -11.494  -4.118  -2.197
  361    HB2  TRP  47           HB3      TRP  47 -10.748  -2.971  -3.974
  362    HB3  TRP  47           HB2      TRP  47 -10.369  -1.590  -2.946
  363    HD1  TRP  47           HD1      TRP  47  -8.771  -5.013  -3.825
  364    HE1  TRP  47           HE1      TRP  47  -6.210  -4.697  -3.890
  365    HE3  TRP  47           HE3      TRP  47  -8.475  -0.108  -2.547
  366    HZ2  TRP  47           HZ2      TRP  47  -4.287  -2.613  -3.456
  367    HZ3  TRP  47           HZ3      TRP  47  -6.277   1.038  -2.381
  368    HH2  TRP  47           HH2      TRP  47  -4.185  -0.212  -2.835
  369    H    LEU  48           H        LEU  48  -8.915  -2.508  -0.347
  370    HA   LEU  48           HA       LEU  48  -7.007  -4.588  -0.558
  371    HB2  LEU  48           HB3      LEU  48  -6.621  -2.271   0.384
  372    HB3  LEU  48           HB2      LEU  48  -7.424  -2.812   1.856
  373    HG   LEU  48           HG       LEU  48  -5.738  -4.740   1.871
  374   HD11  LEU  48          HD11      LEU  48  -4.208  -4.864   0.224
  375   HD12  LEU  48          HD12      LEU  48  -3.685  -3.213   0.548
  376   HD13  LEU  48          HD13      LEU  48  -5.005  -3.514  -0.580
  377   HD21  LEU  48          HD21      LEU  48  -5.079  -3.382   3.557
  378   HD22  LEU  48          HD22      LEU  48  -5.462  -1.932   2.628
  379   HD23  LEU  48          HD23      LEU  48  -3.898  -2.723   2.424
  380    H    GLU  49           H        GLU  49  -9.619  -4.117   1.823
  381    HA   GLU  49           HA       GLU  49  -8.887  -6.447   3.373
  382    HB2  GLU  49           HB3      GLU  49 -10.810  -5.967   4.645
  383    HB3  GLU  49           HB2      GLU  49 -10.279  -4.391   4.086
  384    HG2  GLU  49           HG3      GLU  49 -11.864  -4.635   2.157
  385    HG3  GLU  49           HG2      GLU  49 -12.483  -6.082   2.930
  386    H    ASP  50           H        ASP  50 -11.144  -5.815   0.725
  387    HA   ASP  50           HA       ASP  50 -12.560  -8.270   0.787
  388    HB2  ASP  50           HB3      ASP  50 -13.120  -6.252  -0.598
  389    HB3  ASP  50           HB2      ASP  50 -11.804  -6.705  -1.679
  390    H    ARG  51           H        ARG  51  -9.480  -7.460  -0.785
  391    HA   ARG  51           HA       ARG  51  -9.194  -9.848  -2.280
  392    HB2  ARG  51           HB3      ARG  51  -7.126  -8.016  -1.078
  393    HB3  ARG  51           HB2      ARG  51  -6.744  -9.315  -2.203
  394    HG2  ARG  51           HG3      ARG  51  -8.296  -8.313  -3.860
  395    HG3  ARG  51           HG2      ARG  51  -8.604  -6.988  -2.739
  396    HD2  ARG  51           HD3      ARG  51  -6.917  -6.260  -4.318
  397    HD3  ARG  51           HD2      ARG  51  -6.139  -6.491  -2.753
  398    HE   ARG  51           HE       ARG  51  -5.940  -8.924  -4.225
  399   HH11  ARG  51          HH22      ARG  51  -4.854  -5.653  -4.212
  400   HH12  ARG  51          HH21      ARG  51  -3.352  -6.008  -4.999
  401   HH21  ARG  51          HH11      ARG  51  -3.986  -9.409  -5.253
  402   HH22  ARG  51          HH12      ARG  51  -2.861  -8.134  -5.589
  403    H    PHE  52           H        PHE  52  -8.309  -9.184   1.114
  404    HA   PHE  52           HA       PHE  52  -7.272 -11.957   1.300
  405    HB2  PHE  52           HB3      PHE  52  -7.129  -9.575   3.159
  406    HB3  PHE  52           HB2      PHE  52  -6.551 -11.181   3.597
  407    HD1  PHE  52           HD1      PHE  52  -6.225  -8.534   0.986
  408    HD2  PHE  52           HD2      PHE  52  -4.415 -11.919   2.914
  409    HE1  PHE  52           HE1      PHE  52  -4.124  -8.120  -0.261
  410    HE2  PHE  52           HE2      PHE  52  -2.311 -11.504   1.668
  411    HZ   PHE  52           HZ       PHE  52  -2.165  -9.605   0.079
  412    H    GLY  53           H        GLY  53 -10.170 -10.306   1.807
  413    HA2  GLY  53           HA3      GLY  53 -12.189 -11.068   2.737
  414    HA3  GLY  53           HA2      GLY  53 -11.402 -12.628   3.001
  415    H    ILE  54           H        ILE  54 -10.110  -9.602   4.207
  416    HA   ILE  54           HA       ILE  54 -10.576 -10.622   6.968
  417    HB   ILE  54           HB       ILE  54  -8.652  -9.209   7.597
  418   HG12  ILE  54          HG13      ILE  54  -8.578  -8.576   4.628
  419   HG13  ILE  54          HG12      ILE  54  -9.001  -7.440   5.909
  420   HG21  ILE  54          HG21      ILE  54  -8.239 -11.523   6.880
  421   HG22  ILE  54          HG22      ILE  54  -6.924 -10.479   6.340
  422   HG23  ILE  54          HG23      ILE  54  -8.162 -11.001   5.198
  423   HD11  ILE  54          HD11      ILE  54  -6.336  -8.852   5.612
  424   HD12  ILE  54          HD12      ILE  54  -6.759  -7.728   6.903
  425   HD13  ILE  54          HD13      ILE  54  -6.650  -7.158   5.238
  426    H    ALA  55           H        ALA  55 -11.242  -9.086   8.604
  427    HA   ALA  55           HA       ALA  55 -12.828  -6.848   7.450
  428    HB1  ALA  55           HB1      ALA  55 -13.414  -8.780   9.393
  429    HB2  ALA  55           HB2      ALA  55 -14.374  -7.348   9.016
  430    HB3  ALA  55           HB3      ALA  55 -13.172  -7.290  10.305
  431    H    ALA  56           H        ALA  56 -12.201  -4.766   7.794
  432    HA   ALA  56           HA       ALA  56  -9.688  -4.164   9.050
  433    HB1  ALA  56           HB1      ALA  56 -10.150  -2.503   7.546
  434    HB2  ALA  56           HB2      ALA  56 -10.904  -1.743   8.948
  435    HB3  ALA  56           HB3      ALA  56 -11.892  -2.630   7.787
  436    H    ASP  57           H        ASP  57 -12.998  -4.226  10.197
  437    HA   ASP  57           HA       ASP  57 -12.786  -2.621  12.503
  438    HB2  ASP  57           HB3      ASP  57 -14.877  -3.727  11.617
  439    HB3  ASP  57           HB2      ASP  57 -14.305  -5.224  12.347
  440    H    ASP  58           H        ASP  58 -11.741  -5.961  11.982
  441    HA   ASP  58           HA       ASP  58 -11.199  -6.672  14.662
  442    HB2  ASP  58           HB3      ASP  58  -9.765  -7.441  12.118
  443    HB3  ASP  58           HB2      ASP  58  -9.472  -8.210  13.676
  444    H    VAL  59           H        VAL  59  -9.200  -4.877  12.343
  445    HA   VAL  59           HA       VAL  59  -7.463  -4.065  14.639
  446    HB   VAL  59           HB       VAL  59  -6.537  -4.591  11.810
  447   HG11  VAL  59          HG11      VAL  59  -5.156  -3.749  14.361
  448   HG12  VAL  59          HG12      VAL  59  -5.137  -2.936  12.796
  449   HG13  VAL  59          HG13      VAL  59  -4.275  -4.460  13.009
  450   HG21  VAL  59          HG21      VAL  59  -6.487  -6.246  14.327
  451   HG22  VAL  59          HG22      VAL  59  -5.247  -6.459  13.091
  452   HG23  VAL  59          HG23      VAL  59  -6.944  -6.736  12.696
  453    H    GLU  60           H        GLU  60  -7.138  -1.864  14.787
  454    HA   GLU  60           HA       GLU  60  -8.627  -0.150  12.945
  455    HB2  GLU  60           HB3      GLU  60  -6.783   0.539  15.252
  456    HB3  GLU  60           HB2      GLU  60  -7.801   1.688  14.394
  457    HG2  GLU  60           HG3      GLU  60  -9.792   0.360  15.035
  458    HG3  GLU  60           HG2      GLU  60  -8.751  -0.715  15.959
  459    H    LEU  61           H        LEU  61  -7.788   0.766  11.134
  460    HA   LEU  61           HA       LEU  61  -4.838   0.697  10.768
  461    HB2  LEU  61           HB3      LEU  61  -7.103   0.832   8.761
  462    HB3  LEU  61           HB2      LEU  61  -5.396   0.890   8.342
  463    HG   LEU  61           HG       LEU  61  -5.359  -1.326   9.840
  464   HD11  LEU  61          HD11      LEU  61  -7.991  -1.712   8.475
  465   HD12  LEU  61          HD12      LEU  61  -7.979  -0.879  10.027
  466   HD13  LEU  61          HD13      LEU  61  -7.342  -2.518   9.902
  467   HD21  LEU  61          HD21      LEU  61  -5.896  -2.556   7.600
  468   HD22  LEU  61          HD22      LEU  61  -4.522  -1.452   7.645
  469   HD23  LEU  61          HD23      LEU  61  -6.050  -0.930   6.935
  470    H    SER  62           H        SER  62  -3.752   2.624  10.317
  471    HA   SER  62           HA       SER  62  -5.404   5.090  10.428
  472    HB2  SER  62           HB3      SER  62  -3.898   5.693  12.004
  473    HB3  SER  62           HB2      SER  62  -2.881   4.302  11.638
  474    HG   SER  62           HG       SER  62  -2.507   6.859  10.996
  475    HA   PRO  63           HA       PRO  63  -4.454   5.805   6.162
  476    HB2  PRO  63           HB2      PRO  63  -4.229   8.581   6.208
  477    HB3  PRO  63           HB3      PRO  63  -5.750   7.683   6.076
  478    HG2  PRO  63           HG3      PRO  63  -4.506   8.967   8.442
  479    HG3  PRO  63           HG2      PRO  63  -6.216   8.813   8.005
  480    HD2  PRO  63           HD3      PRO  63  -5.060   7.271   9.917
  481    HD3  PRO  63           HD2      PRO  63  -6.390   6.681   8.896
  482    H    GLU  64           H        GLU  64  -2.361   6.946   8.686
  483    HA   GLU  64           HA       GLU  64  -0.238   7.973   7.048
  484    HB2  GLU  64           HB3      GLU  64  -0.134   6.808   9.835
  485    HB3  GLU  64           HB2      GLU  64   1.100   7.813   9.094
  486    HG2  GLU  64           HG3      GLU  64  -0.584   9.626   8.848
  487    HG3  GLU  64           HG2      GLU  64  -1.739   8.621   9.717
  488    H    HIS  65           H        HIS  65  -1.159   4.773   8.109
  489    HA   HIS  65           HA       HIS  65   1.360   3.514   7.604
  490    HB2  HIS  65           HB3      HIS  65   0.142   1.944   8.682
  491    HB3  HIS  65           HB2      HIS  65  -1.384   2.670   8.180
  492    HD1  HIS  65           HD1      HIS  65  -2.696   1.281   6.588
  493    HD2  HIS  65           HD2      HIS  65   1.387   0.474   6.305
  494    HE1  HIS  65           HE1      HIS  65  -2.446  -0.561   4.864
  495    HE2  HIS  65           HE2      HIS  65   0.033  -1.060   4.687
  496    H    PHE  66           H        PHE  66  -1.093   4.742   5.535
  497    HA   PHE  66           HA       PHE  66  -0.132   3.134   3.242
  498    HB2  PHE  66           HB3      PHE  66  -2.306   5.239   3.294
  499    HB3  PHE  66           HB2      PHE  66  -2.016   4.049   2.025
  500    HD1  PHE  66           HD1      PHE  66  -2.813   4.347   5.660
  501    HD2  PHE  66           HD2      PHE  66  -3.073   1.946   2.111
  502    HE1  PHE  66           HE1      PHE  66  -4.295   2.753   6.848
  503    HE2  PHE  66           HE2      PHE  66  -4.547   0.346   3.303
  504    HZ   PHE  66           HZ       PHE  66  -5.159   0.758   5.672
  505    H    ARG  67           H        ARG  67   1.093   5.612   4.771
  506    HA   ARG  67           HA       ARG  67   1.317   7.819   3.086
  507    HB2  ARG  67           HB3      ARG  67   3.379   8.295   4.221
  508    HB3  ARG  67           HB2      ARG  67   2.318   7.504   5.384
  509    HG2  ARG  67           HG3      ARG  67   3.554   5.353   4.224
  510    HG3  ARG  67           HG2      ARG  67   4.841   6.554   4.188
  511    HD2  ARG  67           HD3      ARG  67   4.021   6.958   6.706
  512    HD3  ARG  67           HD2      ARG  67   3.498   5.282   6.528
  513    HE   ARG  67           HE       ARG  67   6.047   5.129   5.622
  514   HH11  ARG  67          HH22      ARG  67   4.613   6.692   8.342
  515   HH12  ARG  67          HH21      ARG  67   6.021   6.541   9.338
  516   HH21  ARG  67          HH11      ARG  67   7.894   4.922   6.910
  517   HH22  ARG  67          HH12      ARG  67   7.878   5.538   8.529
  518    H    SER  68           H        SER  68   2.570   4.610   2.587
  519    HA   SER  68           HA       SER  68   3.638   5.504  -0.027
  520    HB2  SER  68           HB3      SER  68   5.563   5.578   1.536
  521    HB3  SER  68           HB2      SER  68   5.284   3.887   1.942
  522    HG   SER  68           HG       SER  68   5.336   3.978  -0.658
  523    H    ILE  69           H        ILE  69   3.614   3.844  -1.598
  524    HA   ILE  69           HA       ILE  69   1.678   1.795  -1.313
  525    HB   ILE  69           HB       ILE  69   3.975   1.640  -3.260
  526   HG12  ILE  69          HG13      ILE  69   2.078   3.093  -4.577
  527   HG13  ILE  69          HG12      ILE  69   1.919   3.742  -2.946
  528   HG21  ILE  69          HG21      ILE  69   2.469   0.472  -4.599
  529   HG22  ILE  69          HG22      ILE  69   1.065   1.212  -3.830
  530   HG23  ILE  69          HG23      ILE  69   1.972  -0.041  -2.986
  531   HD11  ILE  69          HD11      ILE  69   3.605   5.111  -3.747
  532   HD12  ILE  69          HD12      ILE  69   4.252   3.863  -4.810
  533   HD13  ILE  69          HD13      ILE  69   4.575   3.803  -3.078
  534    H    ARG  70           H        ARG  70   5.198   1.749  -0.969
  535    HA   ARG  70           HA       ARG  70   5.585  -1.041  -0.757
  536    HB2  ARG  70           HB3      ARG  70   7.632  -0.451   0.510
  537    HB3  ARG  70           HB2      ARG  70   7.436   0.575  -0.912
  538    HG2  ARG  70           HG3      ARG  70   6.100   2.106   0.793
  539    HG3  ARG  70           HG2      ARG  70   7.082   1.258   1.984
  540    HD2  ARG  70           HD3      ARG  70   8.242   2.638  -0.452
  541    HD3  ARG  70           HD2      ARG  70   8.104   3.408   1.128
  542    HE   ARG  70           HE       ARG  70  10.024   1.328   0.391
  543   HH11  ARG  70          HH22      ARG  70   8.252   2.923   2.881
  544   HH12  ARG  70          HH21      ARG  70   9.381   2.515   4.129
  545   HH21  ARG  70          HH11      ARG  70  11.510   0.786   2.007
  546   HH22  ARG  70          HH12      ARG  70  11.225   1.306   3.635
  547    H    SER  71           H        SER  71   4.664   1.347   1.692
  548    HA   SER  71           HA       SER  71   4.746  -0.422   3.938
  549    HB2  SER  71           HB3      SER  71   3.400   1.279   5.052
  550    HB3  SER  71           HB2      SER  71   4.643   2.062   4.082
  551    HG   SER  71           HG       SER  71   3.143   2.860   2.833
  552    H    ILE  72           H        ILE  72   2.212   0.308   1.564
  553    HA   ILE  72           HA       ILE  72   0.080  -0.997   2.922
  554    HB   ILE  72           HB       ILE  72   0.532  -0.672  -0.058
  555   HG12  ILE  72          HG13      ILE  72  -0.936   1.076   1.946
  556   HG13  ILE  72          HG12      ILE  72   0.615   1.461   1.201
  557   HG21  ILE  72          HG21      ILE  72  -1.207  -2.319   0.497
  558   HG22  ILE  72          HG22      ILE  72  -1.929  -0.855  -0.171
  559   HG23  ILE  72          HG23      ILE  72  -1.979  -1.151   1.567
  560   HD11  ILE  72          HD11      ILE  72  -1.078   2.610  -0.066
  561   HD12  ILE  72          HD12      ILE  72  -2.057   1.149  -0.187
  562   HD13  ILE  72          HD13      ILE  72  -0.524   1.256  -1.051
  563    H    ASP  73           H        ASP  73   2.376  -2.236   0.462
  564    HA   ASP  73           HA       ASP  73   1.268  -4.869   0.371
  565    HB2  ASP  73           HB3      ASP  73   3.227  -5.486  -0.801
  566    HB3  ASP  73           HB2      ASP  73   3.019  -3.782  -1.190
  567    H    ALA  74           H        ALA  74   3.780  -3.421   2.424
  568    HA   ALA  74           HA       ALA  74   4.505  -5.857   3.757
  569    HB1  ALA  74           HB1      ALA  74   4.654  -3.074   4.934
  570    HB2  ALA  74           HB2      ALA  74   5.809  -3.669   3.740
  571    HB3  ALA  74           HB3      ALA  74   5.676  -4.460   5.311
  572    H    PHE  75           H        PHE  75   2.217  -3.258   4.606
  573    HA   PHE  75           HA       PHE  75   1.392  -4.405   7.092
  574    HB2  PHE  75           HB3      PHE  75   0.905  -2.058   6.325
  575    HB3  PHE  75           HB2      PHE  75  -0.300  -2.733   5.231
  576    HD1  PHE  75           HD2      PHE  75   0.593  -2.154   8.760
  577    HD2  PHE  75           HD1      PHE  75  -2.369  -3.713   6.067
  578    HE1  PHE  75           HE2      PHE  75  -1.049  -2.245  10.617
  579    HE2  PHE  75           HE1      PHE  75  -4.009  -3.804   7.924
  580    HZ   PHE  75           HZ       PHE  75  -3.350  -3.070  10.199
  581    H    VAL  76           H        VAL  76   0.110  -4.723   3.789
  582    HA   VAL  76           HA       VAL  76  -2.105  -6.395   4.413
  583    HB   VAL  76           HB       VAL  76  -0.361  -6.150   1.948
  584   HG11  VAL  76          HG11      VAL  76  -1.355  -8.336   1.868
  585   HG12  VAL  76          HG12      VAL  76  -2.295  -7.290   0.807
  586   HG13  VAL  76          HG13      VAL  76  -2.912  -7.707   2.406
  587   HG21  VAL  76          HG21      VAL  76  -1.916  -4.255   2.866
  588   HG22  VAL  76          HG22      VAL  76  -3.224  -5.275   2.266
  589   HG23  VAL  76          HG23      VAL  76  -1.997  -4.668   1.154
  590    H    VAL  77           H        VAL  77   1.254  -7.203   3.490
  591    HA   VAL  77           HA       VAL  77   0.881 -10.047   3.729
  592    HB   VAL  77           HB       VAL  77   3.337  -8.271   3.768
  593   HG11  VAL  77          HG11      VAL  77   2.998 -11.127   4.367
  594   HG12  VAL  77          HG12      VAL  77   4.369 -10.065   4.687
  595   HG13  VAL  77          HG13      VAL  77   4.178 -10.805   3.096
  596   HG21  VAL  77          HG21      VAL  77   3.377  -8.555   1.506
  597   HG22  VAL  77          HG22      VAL  77   1.666  -8.934   1.700
  598   HG23  VAL  77          HG23      VAL  77   2.853 -10.236   1.612
  599    H    GLY  78           H        GLY  78   2.103  -7.521   5.903
  600    HA2  GLY  78           HA3      GLY  78   2.777  -9.307   8.059
  601    HA3  GLY  78           HA2      GLY  78   2.557  -7.565   8.204
  602    H    ALA  79           H        ALA  79  -0.220  -7.972   6.935
  603    HA   ALA  79           HA       ALA  79  -1.670  -8.063   9.411
  604    HB1  ALA  79           HB1      ALA  79  -3.157  -7.071   8.042
  605    HB2  ALA  79           HB2      ALA  79  -3.474  -8.651   7.323
  606    HB3  ALA  79           HB3      ALA  79  -2.253  -7.591   6.619
  607    H    THR  80           H        THR  80  -1.028 -10.489   6.911
  608    HA   THR  80           HA       THR  80  -2.700 -12.467   8.314
  609    HB   THR  80           HB       THR  80  -2.123 -13.960   6.477
  610    HG1  THR  80           HG1      THR  80  -0.199 -11.964   6.007
  611   HG21  THR  80          HG21      THR  80  -2.772 -12.418   4.529
  612   HG22  THR  80          HG22      THR  80  -2.785 -11.113   5.716
  613   HG23  THR  80          HG23      THR  80  -3.886 -12.480   5.894
  614    H    THR  81           H        THR  81   0.649 -11.541   8.086
  615    HA   THR  81           HA       THR  81   1.299 -13.742   9.976
  616    HB   THR  81           HB       THR  81   3.654 -13.358   8.643
  617    HG1  THR  81           HG1      THR  81   3.194 -12.459   6.821
  618   HG21  THR  81          HG21      THR  81   2.631 -15.517   9.218
  619   HG22  THR  81          HG22      THR  81   3.132 -15.499   7.528
  620   HG23  THR  81          HG23      THR  81   1.431 -15.291   7.945
  621    HA   PRO  82           HA       PRO  82   3.051 -10.833  12.803
  622    HB2  PRO  82           HB2      PRO  82   5.645 -12.242  12.369
  623    HB3  PRO  82           HB3      PRO  82   4.835 -11.816  13.886
  624    HG2  PRO  82           HG3      PRO  82   4.819 -14.312  12.857
  625    HG3  PRO  82           HG2      PRO  82   3.508 -13.659  13.852
  626    HD2  PRO  82           HD3      PRO  82   3.500 -14.298  10.984
  627    HD3  PRO  82           HD2      PRO  82   2.129 -13.983  12.070
  628    HA   PRO  83           HA       PRO  83   4.704  -8.197   9.394
  629    HB2  PRO  83           HB2      PRO  83   4.276  -6.070  11.396
  630    HB3  PRO  83           HB3      PRO  83   3.669  -6.194   9.737
  631    HG2  PRO  83           HG3      PRO  83   2.109  -6.529  11.916
  632    HG3  PRO  83           HG2      PRO  83   1.802  -7.318  10.362
  633    HD2  PRO  83           HD3      PRO  83   2.850  -8.489  12.885
  634    HD3  PRO  83           HD2      PRO  83   1.947  -9.265  11.566
  635    H    VAL  84           H        VAL  84   6.747  -7.262   9.124
  636    HA   VAL  84           HA       VAL  84   8.565  -7.462  11.479
  637    HB   VAL  84           HB       VAL  84  10.387  -7.520   9.817
  638   HG11  VAL  84          HG11      VAL  84   9.585  -9.679  10.346
  639   HG12  VAL  84          HG12      VAL  84   9.567  -9.645   8.583
  640   HG13  VAL  84          HG13      VAL  84   8.068  -9.422   9.486
  641   HG21  VAL  84          HG21      VAL  84   8.190  -6.632   8.077
  642   HG22  VAL  84          HG22      VAL  84   9.145  -7.941   7.382
  643   HG23  VAL  84          HG23      VAL  84   9.931  -6.440   7.872
  644    H    GLU  85           H        GLU  85   9.707  -5.653  12.170
  645    HA   GLU  85           HA       GLU  85   9.902  -3.326  12.559
  646    HB2  GLU  85           HB3      GLU  85  10.463  -3.529   9.583
  647    HB3  GLU  85           HB2      GLU  85  10.909  -2.166  10.609
  648    HG2  GLU  85           HG3      GLU  85  12.267  -3.697  12.018
  649    HG3  GLU  85           HG2      GLU  85  11.868  -5.024  10.927
  650    H    ALA  86           H        ALA  86   7.189  -4.015  12.248
  651    HA   ALA  86           HA       ALA  86   5.791  -2.553  10.251
  652    HB1  ALA  86           HB1      ALA  86   4.048  -3.523  11.293
  653    HB2  ALA  86           HB2      ALA  86   4.309  -2.502  12.707
  654    HB3  ALA  86           HB3      ALA  86   5.131  -4.056  12.578
  655    H    LYS  87           H        LYS  87   4.945  -0.430  10.248
  656    HA   LYS  87           HA       LYS  87   6.520   1.611  11.426
  657    HB2  LYS  87           HB3      LYS  87   3.664   1.705  10.408
  658    HB3  LYS  87           HB2      LYS  87   4.629   3.130  10.797
  659    HG2  LYS  87           HG3      LYS  87   6.339   2.377   9.143
  660    HG3  LYS  87           HG2      LYS  87   5.279   1.035   8.705
  661    HD2  LYS  87           HD3      LYS  87   3.500   2.688   8.115
  662    HD3  LYS  87           HD2      LYS  87   4.643   3.990   8.442
  663    HE2  LYS  87           HE3      LYS  87   4.426   3.263   5.993
  664    HE3  LYS  87           HE2      LYS  87   6.064   3.330   6.646
  665    HZ1  LYS  87           HZ1      LYS  87   5.563   1.275   5.386
  666    HZ2  LYS  87           HZ2      LYS  87   4.419   0.865   6.569
  667    HZ3  LYS  87           HZ3      LYS  87   6.061   0.991   6.986
  668    H    LEU  88           H        LEU  88   3.569   0.024  12.567
  669    HA   LEU  88           HA       LEU  88   3.544   1.771  14.967
  670    HB2  LEU  88           HB3      LEU  88   1.628  -0.380  14.016
  671    HB3  LEU  88           HB2      LEU  88   1.431   0.529  15.512
  672    HG   LEU  88           HG       LEU  88   0.087   1.510  13.686
  673   HD11  LEU  88          HD11      LEU  88   2.304   3.475  14.063
  674   HD12  LEU  88          HD12      LEU  88   1.506   2.850  15.507
  675   HD13  LEU  88          HD13      LEU  88   0.566   3.688  14.272
  676   HD21  LEU  88          HD21      LEU  88   2.607   2.378  12.310
  677   HD22  LEU  88          HD22      LEU  88   0.980   2.205  11.654
  678   HD23  LEU  88          HD23      LEU  88   1.958   0.773  11.967
  679    H    GLN  89           H        GLN  89   4.033   0.991  17.020
  680    HA   GLN  89           HA       GLN  89   5.847  -1.154  17.302
  681    HB2  GLN  89           HB3      GLN  89   3.972   0.050  19.362
  682    HB3  GLN  89           HB2      GLN  89   5.331  -1.011  19.741
  683    HG2  GLN  89           HG3      GLN  89   6.891   0.588  18.724
  684    HG3  GLN  89           HG2      GLN  89   5.546   1.643  18.289
  685   HE21  GLN  89          HE22      GLN  89   7.629   2.577  20.007
  686   HE22  GLN  89          HE21      GLN  89   6.985   2.808  21.560
  Start of MODEL    8
    1    H1   SER  -1           H1       SER  -1   6.037  -4.219  -7.117
    2    H2   SER  -1           H2       SER  -1   7.610  -4.384  -7.738
    3    H3   SER  -1           H3       SER  -1   7.377  -3.877  -6.133
    4    HA   SER  -1           HA       SER  -1   6.112  -6.153  -5.953
    5    HB2  SER  -1           HB3      SER  -1   7.060  -6.272  -8.555
    6    HB3  SER  -1           HB2      SER  -1   8.261  -7.195  -7.654
    7    HG   SER  -1           HG       SER  -1   6.691  -8.638  -8.083
    8    H    GLU   0           H        GLU   0   8.461  -4.148  -5.254
    9    HA   GLU   0           HA       GLU   0  10.701  -5.731  -4.470
   10    HB2  GLU   0           HB3      GLU   0   9.601  -3.175  -3.263
   11    HB3  GLU   0           HB2      GLU   0  11.185  -3.856  -2.894
   12    HG2  GLU   0           HG3      GLU   0  11.782  -3.714  -5.303
   13    HG3  GLU   0           HG2      GLU   0  10.221  -2.957  -5.625
   14    H    MET   1           H        MET   1   7.615  -5.056  -2.876
   15    HA   MET   1           HA       MET   1   8.472  -6.568  -0.480
   16    HB2  MET   1           HB3      MET   1   5.806  -5.246  -1.081
   17    HB3  MET   1           HB2      MET   1   6.409  -5.763   0.498
   18    HG2  MET   1           HG3      MET   1   7.658  -3.618  -1.243
   19    HG3  MET   1           HG2      MET   1   6.686  -3.328   0.195
   20    HE1  MET   1           HE1      MET   1   7.947  -5.856   2.245
   21    HE2  MET   1           HE2      MET   1   7.002  -4.361   2.278
   22    HE3  MET   1           HE3      MET   1   8.547  -4.449   3.120
   23    H    GLN   2           H        GLN   2   5.257  -6.921  -0.722
   24    HA   GLN   2           HA       GLN   2   5.471  -9.598  -2.047
   25    HB2  GLN   2           HB3      GLN   2   4.928  -9.609   0.419
   26    HB3  GLN   2           HB2      GLN   2   3.452  -8.719   0.042
   27    HG2  GLN   2           HG3      GLN   2   2.836 -11.033   0.132
   28    HG3  GLN   2           HG2      GLN   2   2.878 -10.596  -1.577
   29   HE21  GLN   2          HE22      GLN   2   3.639 -12.479  -2.598
   30   HE22  GLN   2          HE21      GLN   2   5.060 -13.297  -2.159
   31    H    HIS   3           H        HIS   3   4.542  -9.471  -4.059
   32    HA   HIS   3           HA       HIS   3   3.141  -8.672  -5.783
   33    HB2  HIS   3           HB3      HIS   3   1.091  -8.648  -3.543
   34    HB3  HIS   3           HB2      HIS   3   0.769  -8.796  -5.271
   35    HD1  HIS   3           HD1      HIS   3   2.509 -10.939  -6.263
   36    HD2  HIS   3           HD2      HIS   3   0.840 -11.164  -2.446
   37    HE1  HIS   3           HE1      HIS   3   2.534 -13.389  -5.612
   38    HE2  HIS   3           HE2      HIS   3   1.522 -13.536  -3.290
   39    H    ALA   4           H        ALA   4   4.607  -6.718  -4.118
   40    HA   ALA   4           HA       ALA   4   3.052  -4.462  -3.413
   41    HB1  ALA   4           HB1      ALA   4   5.751  -5.083  -3.458
   42    HB2  ALA   4           HB2      ALA   4   5.067  -3.528  -2.985
   43    HB3  ALA   4           HB3      ALA   4   5.622  -3.780  -4.640
   44    H    SER   5           H        SER   5   4.386  -5.455  -6.550
   45    HA   SER   5           HA       SER   5   3.782  -3.063  -7.978
   46    HB2  SER   5           HB3      SER   5   3.986  -4.410  -9.985
   47    HB3  SER   5           HB2      SER   5   5.199  -4.955  -8.831
   48    HG   SER   5           HG       SER   5   2.646  -6.114  -9.299
   49    H    VAL   6           H        VAL   6   1.791  -5.830  -7.075
   50    HA   VAL   6           HA       VAL   6  -0.435  -5.261  -8.772
   51    HB   VAL   6           HB       VAL   6  -0.312  -6.580  -6.057
   52   HG11  VAL   6          HG11      VAL   6  -2.568  -5.812  -7.753
   53   HG12  VAL   6          HG12      VAL   6  -2.564  -6.378  -6.081
   54   HG13  VAL   6          HG13      VAL   6  -2.538  -7.541  -7.407
   55   HG21  VAL   6          HG21      VAL   6  -0.488  -8.657  -7.396
   56   HG22  VAL   6          HG22      VAL   6   0.948  -7.731  -7.837
   57   HG23  VAL   6          HG23      VAL   6  -0.478  -7.695  -8.874
   58    H    ILE   7           H        ILE   7   0.353  -4.214  -5.475
   59    HA   ILE   7           HA       ILE   7  -2.016  -2.710  -4.986
   60    HB   ILE   7           HB       ILE   7   0.806  -2.148  -4.023
   61   HG12  ILE   7          HG13      ILE   7  -1.392  -3.706  -2.637
   62   HG13  ILE   7          HG12      ILE   7  -0.122  -4.477  -3.588
   63   HG21  ILE   7          HG21      ILE   7  -0.579  -0.245  -3.578
   64   HG22  ILE   7          HG22      ILE   7  -0.491  -1.155  -2.069
   65   HG23  ILE   7          HG23      ILE   7  -1.930  -1.264  -3.082
   66   HD11  ILE   7          HD11      ILE   7   0.187  -2.827  -1.075
   67   HD12  ILE   7          HD12      ILE   7   1.547  -3.197  -2.135
   68   HD13  ILE   7          HD13      ILE   7   0.668  -4.503  -1.338
   69    H    ALA   8           H        ALA   8   1.058  -1.839  -6.526
   70    HA   ALA   8           HA       ALA   8   0.527   0.935  -6.867
   71    HB1  ALA   8           HB1      ALA   8   2.418   0.959  -8.200
   72    HB2  ALA   8           HB2      ALA   8   2.011  -0.566  -8.985
   73    HB3  ALA   8           HB3      ALA   8   2.672  -0.565  -7.350
   74    H    GLN   9           H        GLN   9  -0.346  -1.880  -8.850
   75    HA   GLN   9           HA       GLN   9  -1.378  -0.403 -11.076
   76    HB2  GLN   9           HB3      GLN   9  -2.118  -3.146 -10.021
   77    HB3  GLN   9           HB2      GLN   9  -2.641  -2.502 -11.578
   78    HG2  GLN   9           HG3      GLN   9  -0.259  -2.219 -12.231
   79    HG3  GLN   9           HG2      GLN   9   0.227  -2.950 -10.703
   80   HE21  GLN   9          HE22      GLN   9   0.005  -5.246 -10.471
   81   HE22  GLN   9          HE21      GLN   9  -0.462  -6.255 -11.755
   82    H    PHE  10           H        PHE  10  -2.915  -1.567  -8.085
   83    HA   PHE  10           HA       PHE  10  -5.579  -0.826  -8.807
   84    HB2  PHE  10           HB3      PHE  10  -4.177  -1.270  -6.190
   85    HB3  PHE  10           HB2      PHE  10  -5.821  -0.636  -6.207
   86    HD1  PHE  10           HD1      PHE  10  -7.613  -1.940  -7.478
   87    HD2  PHE  10           HD2      PHE  10  -3.763  -3.580  -6.509
   88    HE1  PHE  10           HE1      PHE  10  -8.507  -4.229  -7.804
   89    HE2  PHE  10           HE2      PHE  10  -4.659  -5.870  -6.838
   90    HZ   PHE  10           HZ       PHE  10  -7.029  -6.195  -7.481
   91    H    VAL  11           H        VAL  11  -3.176   0.993  -6.872
   92    HA   VAL  11           HA       VAL  11  -4.863   3.288  -6.573
   93    HB   VAL  11           HB       VAL  11  -2.753   4.468  -5.982
   94   HG11  VAL  11          HG11      VAL  11  -3.052   3.520  -3.965
   95   HG12  VAL  11          HG12      VAL  11  -2.158   2.096  -4.498
   96   HG13  VAL  11          HG13      VAL  11  -3.904   2.178  -4.729
   97   HG21  VAL  11          HG21      VAL  11  -0.665   3.044  -5.955
   98   HG22  VAL  11          HG22      VAL  11  -1.225   3.479  -7.569
   99   HG23  VAL  11          HG23      VAL  11  -1.539   1.866  -6.932
  100    H    VAL  12           H        VAL  12  -2.379   2.434  -8.974
  101    HA   VAL  12           HA       VAL  12  -2.463   4.919 -10.389
  102    HB   VAL  12           HB       VAL  12  -1.752   2.126 -11.293
  103   HG11  VAL  12          HG11      VAL  12  -0.632   3.330 -13.207
  104   HG12  VAL  12          HG12      VAL  12  -1.494   4.787 -12.714
  105   HG13  VAL  12          HG13      VAL  12  -2.393   3.373 -13.264
  106   HG21  VAL  12          HG21      VAL  12   0.273   2.561 -10.395
  107   HG22  VAL  12          HG22      VAL  12  -0.439   3.993  -9.653
  108   HG23  VAL  12          HG23      VAL  12   0.357   4.116 -11.221
  109    H    GLU  13           H        GLU  13  -4.225   1.843 -10.920
  110    HA   GLU  13           HA       GLU  13  -5.732   2.870 -13.156
  111    HB2  GLU  13           HB3      GLU  13  -6.187   0.526 -11.309
  112    HB3  GLU  13           HB2      GLU  13  -7.173   0.858 -12.725
  113    HG2  GLU  13           HG3      GLU  13  -5.142   0.776 -14.141
  114    HG3  GLU  13           HG2      GLU  13  -4.194   0.364 -12.717
  115    H    GLU  14           H        GLU  14  -6.166   2.952  -9.695
  116    HA   GLU  14           HA       GLU  14  -8.968   3.491  -9.647
  117    HB2  GLU  14           HB3      GLU  14  -7.593   2.854  -7.658
  118    HB3  GLU  14           HB2      GLU  14  -6.884   4.469  -7.680
  119    HG2  GLU  14           HG3      GLU  14  -9.163   5.443  -7.457
  120    HG3  GLU  14           HG2      GLU  14  -9.826   3.812  -7.346
  121    H    PHE  15           H        PHE  15  -6.190   5.644 -10.132
  122    HA   PHE  15           HA       PHE  15  -8.163   7.813 -10.719
  123    HB2  PHE  15           HB3      PHE  15  -5.606   8.079  -9.122
  124    HB3  PHE  15           HB2      PHE  15  -6.567   9.441  -9.693
  125    HD1  PHE  15           HD2      PHE  15  -9.010   9.598  -8.970
  126    HD2  PHE  15           HD1      PHE  15  -6.194   6.919  -7.143
  127    HE1  PHE  15           HE2      PHE  15 -10.498   9.379  -6.998
  128    HE2  PHE  15           HE1      PHE  15  -7.681   6.702  -5.169
  129    HZ   PHE  15           HZ       PHE  15  -9.834   7.931  -5.098
  130    H    LEU  16           H        LEU  16  -5.004   6.384 -11.399
  131    HA   LEU  16           HA       LEU  16  -4.867   8.135 -13.825
  132    HB2  LEU  16           HB3      LEU  16  -2.800   7.347 -11.824
  133    HB3  LEU  16           HB2      LEU  16  -2.299   7.510 -13.504
  134    HG   LEU  16           HG       LEU  16  -3.867   9.640 -12.032
  135   HD11  LEU  16          HD11      LEU  16  -1.660   9.257 -10.956
  136   HD12  LEU  16          HD12      LEU  16  -1.741  10.826 -11.756
  137   HD13  LEU  16          HD13      LEU  16  -0.876   9.492 -12.518
  138   HD21  LEU  16          HD21      LEU  16  -3.092   9.228 -14.766
  139   HD22  LEU  16          HD22      LEU  16  -2.210  10.620 -14.139
  140   HD23  LEU  16          HD23      LEU  16  -3.973  10.589 -14.073
  141    HA   PRO  17           HA       PRO  17  -4.911   3.707 -15.165
  142    HB2  PRO  17           HB2      PRO  17  -6.857   3.964 -17.055
  143    HB3  PRO  17           HB3      PRO  17  -7.206   3.665 -15.343
  144    HG2  PRO  17           HG3      PRO  17  -7.430   6.165 -16.907
  145    HG3  PRO  17           HG2      PRO  17  -8.393   5.595 -15.538
  146    HD2  PRO  17           HD3      PRO  17  -6.352   7.505 -15.401
  147    HD3  PRO  17           HD2      PRO  17  -7.027   6.617 -14.020
  148    H    ASP  18           H        ASP  18  -4.505   6.741 -16.794
  149    HA   ASP  18           HA       ASP  18  -3.551   5.463 -19.278
  150    HB2  ASP  18           HB3      ASP  18  -3.871   8.346 -18.443
  151    HB3  ASP  18           HB2      ASP  18  -3.239   7.847 -20.006
  152    H    VAL  19           H        VAL  19  -2.208   5.807 -16.359
  153    HA   VAL  19           HA       VAL  19   0.461   6.631 -17.438
  154    HB   VAL  19           HB       VAL  19  -0.492   6.598 -14.560
  155   HG11  VAL  19          HG11      VAL  19   1.888   6.311 -14.638
  156   HG12  VAL  19          HG12      VAL  19   1.606   8.015 -14.286
  157   HG13  VAL  19          HG13      VAL  19   2.056   7.513 -15.916
  158   HG21  VAL  19          HG21      VAL  19  -0.754   8.959 -14.735
  159   HG22  VAL  19          HG22      VAL  19  -1.538   8.309 -16.175
  160   HG23  VAL  19          HG23      VAL  19   0.074   9.013 -16.292
  161    H    ALA  20           H        ALA  20   2.119   5.158 -17.342
  162    HA   ALA  20           HA       ALA  20   1.497   2.395 -16.788
  163    HB1  ALA  20           HB1      ALA  20   3.174   3.190 -18.479
  164    HB2  ALA  20           HB2      ALA  20   3.796   1.955 -17.384
  165    HB3  ALA  20           HB3      ALA  20   4.227   3.648 -17.141
  166    HA   PRO  21           HA       PRO  21   2.121   2.836 -12.288
  167    HB2  PRO  21           HB2      PRO  21   2.423  -0.118 -12.483
  168    HB3  PRO  21           HB3      PRO  21   1.372   0.840 -11.426
  169    HG2  PRO  21           HG3      PRO  21   0.445  -0.506 -13.553
  170    HG3  PRO  21           HG2      PRO  21  -0.273   1.011 -12.991
  171    HD2  PRO  21           HD3      PRO  21   1.382   0.501 -15.401
  172    HD3  PRO  21           HD2      PRO  21   0.178   1.772 -15.097
  173    H    ALA  22           H        ALA  22   4.197   1.107 -14.526
  174    HA   ALA  22           HA       ALA  22   6.343   0.512 -12.727
  175    HB1  ALA  22           HB1      ALA  22   5.847  -0.096 -15.315
  176    HB2  ALA  22           HB2      ALA  22   7.450  -0.224 -14.592
  177    HB3  ALA  22           HB3      ALA  22   7.020   1.202 -15.536
  178    H    ASP  23           H        ASP  23   5.302   3.473 -14.199
  179    HA   ASP  23           HA       ASP  23   7.896   4.802 -13.845
  180    HB2  ASP  23           HB3      ASP  23   6.752   6.797 -14.665
  181    HB3  ASP  23           HB2      ASP  23   6.353   5.425 -15.697
  182    H    VAL  24           H        VAL  24   5.800   3.749 -11.623
  183    HA   VAL  24           HA       VAL  24   5.870   6.244  -9.978
  184    HB   VAL  24           HB       VAL  24   4.413   3.674  -9.335
  185   HG11  VAL  24          HG11      VAL  24   4.894   6.041  -7.904
  186   HG12  VAL  24          HG12      VAL  24   3.722   4.785  -7.504
  187   HG13  VAL  24          HG13      VAL  24   3.229   6.178  -8.468
  188   HG21  VAL  24          HG21      VAL  24   3.438   6.098 -10.888
  189   HG22  VAL  24          HG22      VAL  24   2.393   4.814 -10.279
  190   HG23  VAL  24          HG23      VAL  24   3.603   4.455 -11.509
  191    H    ASP  25           H        ASP  25   7.285   6.341  -8.283
  192    HA   ASP  25           HA       ASP  25   8.925   3.950  -7.715
  193    HB2  ASP  25           HB3      ASP  25   9.957   6.228  -7.988
  194    HB3  ASP  25           HB2      ASP  25   9.120   6.731  -6.518
  195    H    VAL  26           H        VAL  26   8.288   2.579  -6.121
  196    HA   VAL  26           HA       VAL  26   6.184   3.292  -4.247
  197    HB   VAL  26           HB       VAL  26   6.521   1.044  -3.366
  198   HG11  VAL  26          HG11      VAL  26   5.552   1.547  -5.765
  199   HG12  VAL  26          HG12      VAL  26   5.849  -0.119  -5.269
  200   HG13  VAL  26          HG13      VAL  26   7.008   0.712  -6.306
  201   HG21  VAL  26          HG21      VAL  26   8.915   0.906  -3.260
  202   HG22  VAL  26          HG22      VAL  26   9.067   1.170  -4.997
  203   HG23  VAL  26          HG23      VAL  26   8.395  -0.343  -4.389
  204    H    ASP  27           H        ASP  27   9.299   4.270  -4.334
  205    HA   ASP  27           HA       ASP  27   9.911   3.895  -1.474
  206    HB2  ASP  27           HB3      ASP  27  11.368   5.316  -3.720
  207    HB3  ASP  27           HB2      ASP  27  11.964   5.215  -2.066
  208    H    LEU  28           H        LEU  28   8.193   6.062  -3.420
  209    HA   LEU  28           HA       LEU  28   8.648   8.362  -1.603
  210    HB2  LEU  28           HB3      LEU  28   8.587   8.740  -4.065
  211    HB3  LEU  28           HB2      LEU  28   6.923   8.163  -4.091
  212    HG   LEU  28           HG       LEU  28   6.348   9.965  -2.429
  213   HD11  LEU  28          HD11      LEU  28   8.154  11.892  -2.573
  214   HD12  LEU  28          HD12      LEU  28   9.259  10.550  -2.862
  215   HD13  LEU  28          HD13      LEU  28   8.317  10.612  -1.373
  216   HD21  LEU  28          HD21      LEU  28   5.676  10.662  -4.513
  217   HD22  LEU  28          HD22      LEU  28   7.271  10.411  -5.225
  218   HD23  LEU  28          HD23      LEU  28   6.952  11.853  -4.259
  219    H    ASP  29           H        ASP  29   7.071   9.052  -0.160
  220    HA   ASP  29           HA       ASP  29   5.124   7.194   0.731
  221    HB2  ASP  29           HB3      ASP  29   5.261  10.206   1.095
  222    HB3  ASP  29           HB2      ASP  29   4.147   9.157   1.971
  223    H    LEU  30           H        LEU  30   3.088   6.785   0.102
  224    HA   LEU  30           HA       LEU  30   2.121   7.711  -2.425
  225    HB2  LEU  30           HB3      LEU  30   1.604   5.545  -0.972
  226    HB3  LEU  30           HB2      LEU  30   0.271   6.539  -0.391
  227    HG   LEU  30           HG       LEU  30   0.876   5.979  -3.306
  228   HD11  LEU  30          HD11      LEU  30  -0.423   4.397  -1.316
  229   HD12  LEU  30          HD12      LEU  30  -0.288   4.075  -3.045
  230   HD13  LEU  30          HD13      LEU  30  -1.659   4.995  -2.424
  231   HD21  LEU  30          HD21      LEU  30  -1.640   6.867  -3.297
  232   HD22  LEU  30          HD22      LEU  30  -0.277   7.983  -3.375
  233   HD23  LEU  30          HD23      LEU  30  -1.088   7.688  -1.837
  234    H    VAL  31           H        VAL  31   1.334   8.600   0.921
  235    HA   VAL  31           HA       VAL  31  -0.927  10.227   0.304
  236    HB   VAL  31           HB       VAL  31   1.044  10.386   2.593
  237   HG11  VAL  31          HG11      VAL  31  -1.194  12.113   1.772
  238   HG12  VAL  31          HG12      VAL  31   0.105  12.429   2.923
  239   HG13  VAL  31          HG13      VAL  31  -1.322  11.524   3.432
  240   HG21  VAL  31          HG21      VAL  31  -1.076   8.603   1.908
  241   HG22  VAL  31          HG22      VAL  31  -1.625   9.581   3.271
  242   HG23  VAL  31          HG23      VAL  31  -0.137   8.642   3.401
  243    H    ASP  32           H        ASP  32   2.538  10.960   0.323
  244    HA   ASP  32           HA       ASP  32   2.420  13.769   0.186
  245    HB2  ASP  32           HB3      ASP  32   4.522  12.345   0.225
  246    HB3  ASP  32           HB2      ASP  32   4.265  12.044  -1.493
  247    H    ASN  33           H        ASN  33   1.739  11.333  -2.242
  248    HA   ASN  33           HA       ASN  33   1.510  13.150  -4.474
  249    HB2  ASN  33           HB3      ASN  33   0.428  10.380  -3.970
  250    HB3  ASN  33           HB2      ASN  33   0.265  11.219  -5.507
  251   HD21  ASN  33          HD22      ASN  33   1.753   8.782  -5.324
  252   HD22  ASN  33          HD21      ASN  33   3.393   9.130  -5.586
  253    H    GLY  34           H        GLY  34  -0.737  11.918  -2.045
  254    HA2  GLY  34           HA3      GLY  34  -2.780  12.947  -1.372
  255    HA3  GLY  34           HA2      GLY  34  -2.642  14.053  -2.741
  256    H    VAL  35           H        VAL  35  -2.047  10.935  -3.777
  257    HA   VAL  35           HA       VAL  35  -4.380  10.796  -5.411
  258    HB   VAL  35           HB       VAL  35  -2.464   8.624  -4.511
  259   HG11  VAL  35          HG11      VAL  35  -3.414   7.567  -6.711
  260   HG12  VAL  35          HG12      VAL  35  -4.798   8.618  -6.408
  261   HG13  VAL  35          HG13      VAL  35  -4.334   7.403  -5.215
  262   HG21  VAL  35          HG21      VAL  35  -1.165   9.200  -6.309
  263   HG22  VAL  35          HG22      VAL  35  -1.936  10.771  -6.085
  264   HG23  VAL  35          HG23      VAL  35  -2.555   9.648  -7.298
  265    H    ILE  36           H        ILE  36  -3.647   9.531  -2.201
  266    HA   ILE  36           HA       ILE  36  -6.145   8.007  -2.060
  267    HB   ILE  36           HB       ILE  36  -4.134   8.739   0.090
  268   HG12  ILE  36          HG13      ILE  36  -4.538   6.125  -1.390
  269   HG13  ILE  36          HG12      ILE  36  -3.324   7.316  -1.830
  270   HG21  ILE  36          HG21      ILE  36  -6.735   7.413   0.140
  271   HG22  ILE  36          HG22      ILE  36  -5.741   7.977   1.484
  272   HG23  ILE  36          HG23      ILE  36  -5.448   6.388   0.774
  273   HD11  ILE  36          HD11      ILE  36  -2.742   7.108   0.784
  274   HD12  ILE  36          HD12      ILE  36  -2.034   6.030  -0.420
  275   HD13  ILE  36          HD13      ILE  36  -3.424   5.504   0.528
  276    H    ASP  37           H        ASP  37  -8.026   9.071  -1.819
  277    HA   ASP  37           HA       ASP  37  -8.074  11.573  -0.202
  278    HB2  ASP  37           HB3      ASP  37  -9.879  10.572  -2.421
  279    HB3  ASP  37           HB2      ASP  37 -10.219  11.999  -1.449
  280    H    ALA  38           H        ALA  38 -10.758  11.692   0.380
  281    HA   ALA  38           HA       ALA  38 -11.014   9.843   2.557
  282    HB1  ALA  38           HB1      ALA  38 -12.755  11.169   3.150
  283    HB2  ALA  38           HB2      ALA  38 -13.551  10.947   1.592
  284    HB3  ALA  38           HB3      ALA  38 -12.301  12.178   1.776
  285    H    LEU  39           H        LEU  39 -12.802  10.066  -0.525
  286    HA   LEU  39           HA       LEU  39 -14.071   7.488  -0.180
  287    HB2  LEU  39           HB3      LEU  39 -13.601   9.034  -2.742
  288    HB3  LEU  39           HB2      LEU  39 -14.788   7.760  -2.492
  289    HG   LEU  39           HG       LEU  39 -14.740  10.479  -1.178
  290   HD11  LEU  39          HD11      LEU  39 -16.624  10.976  -2.468
  291   HD12  LEU  39          HD12      LEU  39 -17.008   9.276  -2.736
  292   HD13  LEU  39          HD13      LEU  39 -15.658  10.021  -3.592
  293   HD21  LEU  39          HD21      LEU  39 -17.018   9.541  -0.278
  294   HD22  LEU  39          HD22      LEU  39 -15.523   9.098   0.547
  295   HD23  LEU  39          HD23      LEU  39 -16.279   7.967  -0.574
  296    H    GLY  40           H        GLY  40 -11.145   8.731  -1.623
  297    HA2  GLY  40           HA3      GLY  40 -10.342   6.439  -3.090
  298    HA3  GLY  40           HA2      GLY  40  -9.239   7.640  -2.406
  299    H    LEU  41           H        LEU  41  -9.930   7.343   0.312
  300    HA   LEU  41           HA       LEU  41  -8.309   5.100   1.052
  301    HB2  LEU  41           HB3      LEU  41  -8.631   7.192   2.409
  302    HB3  LEU  41           HB2      LEU  41 -10.266   6.645   2.774
  303    HG   LEU  41           HG       LEU  41  -8.128   4.658   3.277
  304   HD11  LEU  41          HD11      LEU  41  -7.015   6.716   4.026
  305   HD12  LEU  41          HD12      LEU  41  -7.497   5.745   5.417
  306   HD13  LEU  41          HD13      LEU  41  -8.443   7.162   4.960
  307   HD21  LEU  41          HD21      LEU  41 -10.480   4.246   3.858
  308   HD22  LEU  41          HD22      LEU  41 -10.509   5.708   4.841
  309   HD23  LEU  41          HD23      LEU  41  -9.510   4.339   5.326
  310    H    LEU  42           H        LEU  42 -11.818   5.666   1.074
  311    HA   LEU  42           HA       LEU  42 -12.578   3.193   2.270
  312    HB2  LEU  42           HB3      LEU  42 -14.140   5.079   1.922
  313    HB3  LEU  42           HB2      LEU  42 -14.037   4.840   0.178
  314    HG   LEU  42           HG       LEU  42 -14.708   2.330   0.965
  315   HD11  LEU  42          HD11      LEU  42 -14.876   3.327   3.348
  316   HD12  LEU  42          HD12      LEU  42 -16.215   2.331   2.779
  317   HD13  LEU  42          HD13      LEU  42 -16.357   4.089   2.771
  318   HD21  LEU  42          HD21      LEU  42 -17.133   3.173   0.511
  319   HD22  LEU  42          HD22      LEU  42 -15.926   3.332  -0.767
  320   HD23  LEU  42          HD23      LEU  42 -16.359   4.731   0.219
  321    H    LYS  43           H        LYS  43 -12.164   4.087  -1.141
  322    HA   LYS  43           HA       LYS  43 -12.861   1.567  -2.242
  323    HB2  LYS  43           HB3      LYS  43 -10.967   3.690  -3.259
  324    HB3  LYS  43           HB2      LYS  43 -11.518   2.321  -4.215
  325    HG2  LYS  43           HG3      LYS  43 -13.875   3.054  -3.829
  326    HG3  LYS  43           HG2      LYS  43 -13.258   4.482  -2.998
  327    HD2  LYS  43           HD3      LYS  43 -11.997   5.092  -5.066
  328    HD3  LYS  43           HD2      LYS  43 -12.745   3.722  -5.889
  329    HE2  LYS  43           HE3      LYS  43 -13.901   5.960  -6.244
  330    HE3  LYS  43           HE2      LYS  43 -14.937   4.663  -5.650
  331    HZ1  LYS  43           HZ1      LYS  43 -15.259   6.740  -4.428
  332    HZ2  LYS  43           HZ2      LYS  43 -13.631   6.718  -3.951
  333    HZ3  LYS  43           HZ3      LYS  43 -14.688   5.500  -3.417
  334    H    VAL  44           H        VAL  44  -9.820   2.793  -0.946
  335    HA   VAL  44           HA       VAL  44  -8.110   0.712  -1.856
  336    HB   VAL  44           HB       VAL  44  -7.997   2.448   0.618
  337   HG11  VAL  44          HG11      VAL  44  -6.564   0.757   1.275
  338   HG12  VAL  44          HG12      VAL  44  -5.452   1.707   0.290
  339   HG13  VAL  44          HG13      VAL  44  -6.215   0.266  -0.382
  340   HG21  VAL  44          HG21      VAL  44  -7.697   3.132  -2.013
  341   HG22  VAL  44          HG22      VAL  44  -6.040   2.709  -1.585
  342   HG23  VAL  44          HG23      VAL  44  -6.892   3.963  -0.682
  343    H    ILE  45           H        ILE  45  -9.898   1.043   1.202
  344    HA   ILE  45           HA       ILE  45  -9.089  -1.508   2.238
  345    HB   ILE  45           HB       ILE  45 -11.174   0.526   2.914
  346   HG12  ILE  45          HG13      ILE  45 -10.037   0.253   5.160
  347   HG13  ILE  45          HG12      ILE  45  -8.911  -0.860   4.388
  348   HG21  ILE  45          HG21      ILE  45 -12.514  -1.388   3.217
  349   HG22  ILE  45          HG22      ILE  45 -11.830  -1.094   4.814
  350   HG23  ILE  45          HG23      ILE  45 -11.157  -2.359   3.785
  351   HD11  ILE  45          HD11      ILE  45  -7.709   0.857   3.566
  352   HD12  ILE  45          HD12      ILE  45  -8.743   1.959   4.474
  353   HD13  ILE  45          HD13      ILE  45  -9.143   1.547   2.809
  354    H    ALA  46           H        ALA  46 -11.801  -0.503   0.202
  355    HA   ALA  46           HA       ALA  46 -13.362  -2.881   0.541
  356    HB1  ALA  46           HB1      ALA  46 -14.332  -2.154  -1.724
  357    HB2  ALA  46           HB2      ALA  46 -13.226  -0.784  -1.618
  358    HB3  ALA  46           HB3      ALA  46 -14.469  -1.012  -0.387
  359    H    TRP  47           H        TRP  47 -11.070  -2.009  -2.097
  360    HA   TRP  47           HA       TRP  47 -11.367  -4.687  -3.251
  361    HB2  TRP  47           HB3      TRP  47 -10.602  -3.617  -5.072
  362    HB3  TRP  47           HB2      TRP  47 -10.299  -2.173  -4.105
  363    HD1  TRP  47           HD1      TRP  47  -8.566  -5.559  -4.857
  364    HE1  TRP  47           HE1      TRP  47  -6.016  -5.168  -4.827
  365    HE3  TRP  47           HE3      TRP  47  -8.457  -0.633  -3.597
  366    HZ2  TRP  47           HZ2      TRP  47  -4.175  -3.034  -4.328
  367    HZ3  TRP  47           HZ3      TRP  47  -6.300   0.568  -3.347
  368    HH2  TRP  47           HH2      TRP  47  -4.158  -0.628  -3.715
  369    H    LEU  48           H        LEU  48  -8.840  -2.945  -1.457
  370    HA   LEU  48           HA       LEU  48  -6.870  -4.970  -1.558
  371    HB2  LEU  48           HB3      LEU  48  -6.527  -2.639  -0.701
  372    HB3  LEU  48           HB2      LEU  48  -7.417  -3.083   0.752
  373    HG   LEU  48           HG       LEU  48  -5.739  -4.972   1.045
  374   HD11  LEU  48          HD11      LEU  48  -4.244  -5.328  -0.598
  375   HD12  LEU  48          HD12      LEU  48  -3.562  -3.731  -0.291
  376   HD13  LEU  48          HD13      LEU  48  -4.848  -3.926  -1.481
  377   HD21  LEU  48          HD21      LEU  48  -5.052  -3.479   2.587
  378   HD22  LEU  48          HD22      LEU  48  -5.494  -2.127   1.544
  379   HD23  LEU  48          HD23      LEU  48  -3.903  -2.874   1.391
  380    H    GLU  49           H        GLU  49  -9.555  -4.516   0.753
  381    HA   GLU  49           HA       GLU  49  -8.777  -6.774   2.383
  382    HB2  GLU  49           HB3      GLU  49 -10.741  -6.336   3.600
  383    HB3  GLU  49           HB2      GLU  49 -10.268  -4.755   3.006
  384    HG2  GLU  49           HG3      GLU  49 -11.797  -5.149   1.041
  385    HG3  GLU  49           HG2      GLU  49 -12.376  -6.577   1.874
  386    H    ASP  50           H        ASP  50 -11.017  -6.290  -0.320
  387    HA   ASP  50           HA       ASP  50 -12.332  -8.794  -0.233
  388    HB2  ASP  50           HB3      ASP  50 -12.907  -6.847  -1.717
  389    HB3  ASP  50           HB2      ASP  50 -11.535  -7.297  -2.729
  390    H    ARG  51           H        ARG  51  -9.226  -7.916  -1.703
  391    HA   ARG  51           HA       ARG  51  -8.779 -10.363  -3.071
  392    HB2  ARG  51           HB3      ARG  51  -6.843  -8.357  -1.925
  393    HB3  ARG  51           HB2      ARG  51  -6.368  -9.696  -2.962
  394    HG2  ARG  51           HG3      ARG  51  -7.916  -8.870  -4.716
  395    HG3  ARG  51           HG2      ARG  51  -8.328  -7.501  -3.683
  396    HD2  ARG  51           HD3      ARG  51  -6.646  -6.762  -5.249
  397    HD3  ARG  51           HD2      ARG  51  -5.886  -6.878  -3.664
  398    HE   ARG  51           HE       ARG  51  -5.402  -8.686  -5.960
  399   HH11  ARG  51          HH22      ARG  51  -4.956  -7.881  -2.627
  400   HH12  ARG  51          HH21      ARG  51  -3.538  -8.858  -2.451
  401   HH21  ARG  51          HH11      ARG  51  -3.559  -9.963  -5.734
  402   HH22  ARG  51          HH12      ARG  51  -2.749 -10.036  -4.205
  403    H    PHE  52           H        PHE  52  -8.078  -9.467   0.311
  404    HA   PHE  52           HA       PHE  52  -6.833 -12.125   0.696
  405    HB2  PHE  52           HB3      PHE  52  -7.075  -9.686   2.470
  406    HB3  PHE  52           HB2      PHE  52  -6.392 -11.215   3.017
  407    HD1  PHE  52           HD1      PHE  52  -4.277 -12.057   2.123
  408    HD2  PHE  52           HD2      PHE  52  -5.937  -8.329   0.782
  409    HE1  PHE  52           HE1      PHE  52  -2.114 -11.475   1.059
  410    HE2  PHE  52           HE2      PHE  52  -3.773  -7.747  -0.281
  411    HZ   PHE  52           HZ       PHE  52  -1.861  -9.321  -0.142
  412    H    GLY  53           H        GLY  53  -9.901 -10.736   0.918
  413    HA2  GLY  53           HA3      GLY  53 -11.911 -11.696   1.678
  414    HA3  GLY  53           HA2      GLY  53 -10.989 -13.132   2.134
  415    H    ILE  54           H        ILE  54 -10.138  -9.916   3.232
  416    HA   ILE  54           HA       ILE  54 -10.830 -10.789   6.000
  417    HB   ILE  54           HB       ILE  54  -9.090  -9.227   6.743
  418   HG12  ILE  54          HG13      ILE  54  -8.787  -8.663   3.775
  419   HG13  ILE  54          HG12      ILE  54  -9.377  -7.529   4.990
  420   HG21  ILE  54          HG21      ILE  54  -8.454 -11.540   6.103
  421   HG22  ILE  54          HG22      ILE  54  -7.149 -10.395   5.786
  422   HG23  ILE  54          HG23      ILE  54  -8.148 -10.986   4.458
  423   HD11  ILE  54          HD11      ILE  54  -6.600  -8.520   4.511
  424   HD12  ILE  54          HD12      ILE  54  -7.071  -8.130   6.165
  425   HD13  ILE  54          HD13      ILE  54  -7.157  -6.895   4.909
  426    H    ALA  55           H        ALA  55 -11.787  -9.199   7.429
  427    HA   ALA  55           HA       ALA  55 -13.372  -7.167   5.933
  428    HB1  ALA  55           HB1      ALA  55 -14.291  -7.248   8.571
  429    HB2  ALA  55           HB2      ALA  55 -13.894  -8.925   8.197
  430    HB3  ALA  55           HB3      ALA  55 -15.035  -8.042   7.183
  431    H    ALA  56           H        ALA  56 -13.107  -5.000   6.346
  432    HA   ALA  56           HA       ALA  56 -10.757  -4.101   7.735
  433    HB1  ALA  56           HB1      ALA  56 -12.499  -2.985   5.917
  434    HB2  ALA  56           HB2      ALA  56 -11.241  -2.101   6.781
  435    HB3  ALA  56           HB3      ALA  56 -12.894  -2.108   7.395
  436    H    ASP  57           H        ASP  57 -14.091  -4.570   8.713
  437    HA   ASP  57           HA       ASP  57 -14.188  -2.946  11.012
  438    HB2  ASP  57           HB3      ASP  57 -15.422  -5.647  10.470
  439    HB3  ASP  57           HB2      ASP  57 -15.833  -4.649  11.859
  440    H    ASP  58           H        ASP  58 -12.734  -6.135  10.550
  441    HA   ASP  58           HA       ASP  58 -12.259  -6.832  13.236
  442    HB2  ASP  58           HB3      ASP  58 -11.784  -8.250  11.204
  443    HB3  ASP  58           HB2      ASP  58 -10.322  -7.294  10.971
  444    H    VAL  59           H        VAL  59 -10.397  -4.674  11.121
  445    HA   VAL  59           HA       VAL  59  -9.003  -3.676  13.566
  446    HB   VAL  59           HB       VAL  59  -7.497  -5.217  12.300
  447   HG11  VAL  59          HG11      VAL  59  -7.035  -4.950  10.062
  448   HG12  VAL  59          HG12      VAL  59  -7.255  -3.201  10.119
  449   HG13  VAL  59          HG13      VAL  59  -8.660  -4.266  10.071
  450   HG21  VAL  59          HG21      VAL  59  -6.788  -3.036  13.546
  451   HG22  VAL  59          HG22      VAL  59  -6.512  -2.394  11.927
  452   HG23  VAL  59          HG23      VAL  59  -5.617  -3.810  12.478
  453    H    GLU  60           H        GLU  60  -8.675  -1.437  13.580
  454    HA   GLU  60           HA       GLU  60 -10.099   0.050  11.447
  455    HB2  GLU  60           HB3      GLU  60 -10.570   0.524  13.864
  456    HB3  GLU  60           HB2      GLU  60  -8.911   1.084  14.036
  457    HG2  GLU  60           HG3      GLU  60  -9.328   2.756  12.248
  458    HG3  GLU  60           HG2      GLU  60 -11.010   2.240  12.198
  459    H    LEU  61           H        LEU  61  -9.014   1.261   9.942
  460    HA   LEU  61           HA       LEU  61  -6.059   1.292  10.109
  461    HB2  LEU  61           HB3      LEU  61  -7.880   2.004   7.793
  462    HB3  LEU  61           HB2      LEU  61  -6.137   1.782   7.729
  463    HG   LEU  61           HG       LEU  61  -8.175  -0.335   8.419
  464   HD11  LEU  61          HD11      LEU  61  -7.744   0.461   5.966
  465   HD12  LEU  61          HD12      LEU  61  -7.741  -1.269   6.312
  466   HD13  LEU  61          HD13      LEU  61  -6.216  -0.400   6.138
  467   HD21  LEU  61          HD21      LEU  61  -5.188  -0.210   8.618
  468   HD22  LEU  61          HD22      LEU  61  -5.938  -1.735   8.148
  469   HD23  LEU  61          HD23      LEU  61  -6.347  -0.992   9.694
  470    H    SER  62           H        SER  62  -4.909   3.218  10.175
  471    HA   SER  62           HA       SER  62  -6.530   5.701  10.477
  472    HB2  SER  62           HB3      SER  62  -5.362   5.886  12.407
  473    HB3  SER  62           HB2      SER  62  -4.268   4.585  11.946
  474    HG   SER  62           HG       SER  62  -3.038   6.046  10.816
  475    HA   PRO  63           HA       PRO  63  -4.846   7.484   6.836
  476    HB2  PRO  63           HB2      PRO  63  -3.856   9.906   7.904
  477    HB3  PRO  63           HB3      PRO  63  -5.477   9.629   7.247
  478    HG2  PRO  63           HG3      PRO  63  -4.565   9.706  10.056
  479    HG3  PRO  63           HG2      PRO  63  -6.139  10.125   9.361
  480    HD2  PRO  63           HD3      PRO  63  -5.744   7.836  10.768
  481    HD3  PRO  63           HD2      PRO  63  -6.906   7.936   9.425
  482    H    GLU  64           H        GLU  64  -2.832   7.298   9.696
  483    HA   GLU  64           HA       GLU  64  -0.335   7.937   8.402
  484    HB2  GLU  64           HB3      GLU  64  -0.906   6.383  10.929
  485    HB3  GLU  64           HB2      GLU  64   0.673   6.977  10.445
  486    HG2  GLU  64           HG3      GLU  64  -0.234   9.286  10.442
  487    HG3  GLU  64           HG2      GLU  64  -1.767   8.653  11.032
  488    H    HIS  65           H        HIS  65  -2.271   5.059   8.735
  489    HA   HIS  65           HA       HIS  65  -0.215   3.154   8.150
  490    HB2  HIS  65           HB3      HIS  65  -2.269   2.316   9.032
  491    HB3  HIS  65           HB2      HIS  65  -3.213   3.109   7.768
  492    HD1  HIS  65           HD1      HIS  65  -4.183   1.052   6.629
  493    HD2  HIS  65           HD2      HIS  65  -0.034   0.864   7.014
  494    HE1  HIS  65           HE1      HIS  65  -3.425  -0.947   5.267
  495    HE2  HIS  65           HE2      HIS  65  -0.903  -1.067   5.494
  496    H    PHE  66           H        PHE  66  -1.928   5.433   6.220
  497    HA   PHE  66           HA       PHE  66  -1.220   4.056   3.709
  498    HB2  PHE  66           HB3      PHE  66  -2.564   6.747   4.071
  499    HB3  PHE  66           HB2      PHE  66  -2.527   5.764   2.609
  500    HD1  PHE  66           HD2      PHE  66  -3.643   5.686   6.176
  501    HD2  PHE  66           HD1      PHE  66  -4.215   4.171   2.201
  502    HE1  PHE  66           HE2      PHE  66  -5.683   4.492   6.926
  503    HE2  PHE  66           HE1      PHE  66  -6.254   2.976   2.951
  504    HZ   PHE  66           HZ       PHE  66  -6.985   3.142   5.315
  505    H    ARG  67           H        ARG  67   0.584   5.495   5.789
  506    HA   ARG  67           HA       ARG  67   1.783   7.792   4.794
  507    HB2  ARG  67           HB3      ARG  67   3.836   6.985   5.900
  508    HB3  ARG  67           HB2      ARG  67   2.421   6.671   6.900
  509    HG2  ARG  67           HG3      ARG  67   2.493   4.398   5.413
  510    HG3  ARG  67           HG2      ARG  67   4.211   4.769   5.510
  511    HD2  ARG  67           HD3      ARG  67   3.631   5.154   8.075
  512    HD3  ARG  67           HD2      ARG  67   2.286   4.083   7.692
  513    HE   ARG  67           HE       ARG  67   4.851   3.059   6.762
  514   HH11  ARG  67          HH22      ARG  67   2.627   3.374   9.378
  515   HH12  ARG  67          HH21      ARG  67   3.170   1.942  10.188
  516   HH21  ARG  67          HH11      ARG  67   5.571   1.186   7.802
  517   HH22  ARG  67          HH12      ARG  67   4.838   0.704   9.295
  518    H    SER  68           H        SER  68   2.285   4.438   3.691
  519    HA   SER  68           HA       SER  68   3.200   5.436   1.110
  520    HB2  SER  68           HB3      SER  68   5.408   4.439   1.160
  521    HB3  SER  68           HB2      SER  68   5.269   5.535   2.530
  522    HG   SER  68           HG       SER  68   6.104   3.268   2.852
  523    H    ILE  69           H        ILE  69   3.391   3.713  -0.460
  524    HA   ILE  69           HA       ILE  69   1.457   1.662  -0.220
  525    HB   ILE  69           HB       ILE  69   3.887   1.627  -2.027
  526   HG12  ILE  69          HG13      ILE  69   1.809   2.716  -3.473
  527   HG13  ILE  69          HG12      ILE  69   1.585   3.454  -1.890
  528   HG21  ILE  69          HG21      ILE  69   2.212   0.528  -3.557
  529   HG22  ILE  69          HG22      ILE  69   1.090   0.492  -2.198
  530   HG23  ILE  69          HG23      ILE  69   2.602  -0.411  -2.117
  531   HD11  ILE  69          HD11      ILE  69   3.078   4.940  -2.896
  532   HD12  ILE  69          HD12      ILE  69   3.934   3.657  -3.749
  533   HD13  ILE  69          HD13      ILE  69   4.172   3.875  -2.016
  534    H    ARG  70           H        ARG  70   4.909   1.756   0.440
  535    HA   ARG  70           HA       ARG  70   5.458  -1.002   0.723
  536    HB2  ARG  70           HB3      ARG  70   6.535   1.289   2.396
  537    HB3  ARG  70           HB2      ARG  70   7.298  -0.285   2.183
  538    HG2  ARG  70           HG3      ARG  70   7.905   0.157  -0.019
  539    HG3  ARG  70           HG2      ARG  70   6.628   1.356  -0.237
  540    HD2  ARG  70           HD3      ARG  70   8.801   2.478  -0.071
  541    HD3  ARG  70           HD2      ARG  70   7.810   2.880   1.330
  542    HE   ARG  70           HE       ARG  70   9.345   0.618   2.041
  543   HH11  ARG  70          HH22      ARG  70   9.769   3.894   1.052
  544   HH12  ARG  70          HH21      ARG  70  11.244   4.108   1.935
  545   HH21  ARG  70          HH11      ARG  70  11.267   0.881   3.200
  546   HH22  ARG  70          HH12      ARG  70  12.092   2.403   3.151
  547    H    SER  71           H        SER  71   4.201   1.322   3.114
  548    HA   SER  71           HA       SER  71   4.070  -0.582   5.268
  549    HB2  SER  71           HB3      SER  71   2.811   1.117   6.428
  550    HB3  SER  71           HB2      SER  71   4.074   1.927   5.509
  551    HG   SER  71           HG       SER  71   1.340   2.009   5.239
  552    H    ILE  72           H        ILE  72   1.810   0.386   2.724
  553    HA   ILE  72           HA       ILE  72  -0.524  -0.817   3.808
  554    HB   ILE  72           HB       ILE  72   0.289  -0.456   0.911
  555   HG12  ILE  72          HG13      ILE  72  -1.393   1.296   2.732
  556   HG13  ILE  72          HG12      ILE  72   0.284   1.627   2.297
  557   HG21  ILE  72          HG21      ILE  72  -1.634  -1.511   0.438
  558   HG22  ILE  72          HG22      ILE  72  -2.502  -0.244   1.303
  559   HG23  ILE  72          HG23      ILE  72  -1.987  -1.699   2.154
  560   HD11  ILE  72          HD11      ILE  72  -0.935   1.160  -0.154
  561   HD12  ILE  72          HD12      ILE  72  -0.545   2.744   0.517
  562   HD13  ILE  72          HD13      ILE  72  -2.156   2.061   0.745
  563    H    ASP  73           H        ASP  73   1.853  -2.130   1.475
  564    HA   ASP  73           HA       ASP  73   0.675  -4.721   1.284
  565    HB2  ASP  73           HB3      ASP  73   2.554  -3.703  -0.150
  566    HB3  ASP  73           HB2      ASP  73   3.646  -4.184   1.144
  567    H    ALA  74           H        ALA  74   3.137  -3.405   3.471
  568    HA   ALA  74           HA       ALA  74   3.667  -5.866   4.843
  569    HB1  ALA  74           HB1      ALA  74   4.955  -3.579   4.829
  570    HB2  ALA  74           HB2      ALA  74   4.979  -4.579   6.282
  571    HB3  ALA  74           HB3      ALA  74   3.894  -3.190   6.184
  572    H    PHE  75           H        PHE  75   1.346  -3.246   5.443
  573    HA   PHE  75           HA       PHE  75   0.464  -4.172   7.991
  574    HB2  PHE  75           HB3      PHE  75  -0.093  -1.941   7.020
  575    HB3  PHE  75           HB2      PHE  75  -1.192  -2.749   5.904
  576    HD1  PHE  75           HD1      PHE  75  -0.585  -1.837   9.417
  577    HD2  PHE  75           HD2      PHE  75  -3.263  -3.783   6.680
  578    HE1  PHE  75           HE1      PHE  75  -2.347  -1.863  11.162
  579    HE2  PHE  75           HE2      PHE  75  -5.025  -3.810   8.424
  580    HZ   PHE  75           HZ       PHE  75  -4.569  -2.849  10.664
  581    H    VAL  76           H        VAL  76  -0.799  -4.861   4.716
  582    HA   VAL  76           HA       VAL  76  -2.883  -6.611   5.613
  583    HB   VAL  76           HB       VAL  76  -1.409  -6.408   2.975
  584   HG11  VAL  76          HG11      VAL  76  -3.894  -7.515   2.503
  585   HG12  VAL  76          HG12      VAL  76  -3.377  -8.326   3.981
  586   HG13  VAL  76          HG13      VAL  76  -2.371  -8.401   2.535
  587   HG21  VAL  76          HG21      VAL  76  -4.225  -5.539   3.646
  588   HG22  VAL  76          HG22      VAL  76  -3.231  -5.056   2.272
  589   HG23  VAL  76          HG23      VAL  76  -2.846  -4.468   3.889
  590    H    VAL  77           H        VAL  77   0.411  -7.293   4.356
  591    HA   VAL  77           HA       VAL  77   0.182 -10.137   4.758
  592    HB   VAL  77           HB       VAL  77   2.557  -8.292   4.407
  593   HG11  VAL  77          HG11      VAL  77   3.546 -10.100   5.483
  594   HG12  VAL  77          HG12      VAL  77   3.624 -10.615   3.799
  595   HG13  VAL  77          HG13      VAL  77   2.365 -11.249   4.859
  596   HG21  VAL  77          HG21      VAL  77   1.134  -8.475   2.438
  597   HG22  VAL  77          HG22      VAL  77   1.103 -10.232   2.583
  598   HG23  VAL  77          HG23      VAL  77   2.603  -9.409   2.160
  599    H    GLY  78           H        GLY  78   1.739  -7.529   6.610
  600    HA2  GLY  78           HA3      GLY  78   2.747  -9.154   8.715
  601    HA3  GLY  78           HA2      GLY  78   2.411  -7.430   8.849
  602    H    ALA  79           H        ALA  79  -0.446  -7.790   8.156
  603    HA   ALA  79           HA       ALA  79  -1.448  -8.157  10.823
  604    HB1  ALA  79           HB1      ALA  79  -3.714  -8.168   9.574
  605    HB2  ALA  79           HB2      ALA  79  -2.757  -7.869   8.123
  606    HB3  ALA  79           HB3      ALA  79  -2.722  -6.714   9.456
  607    H    THR  80           H        THR  80  -1.486 -10.246   7.946
  608    HA   THR  80           HA       THR  80  -2.982 -12.336   9.329
  609    HB   THR  80           HB       THR  80  -2.631 -13.641   7.301
  610    HG1  THR  80           HG1      THR  80  -1.232 -11.779   5.921
  611   HG21  THR  80          HG21      THR  80  -4.182 -11.545   7.383
  612   HG22  THR  80          HG22      THR  80  -3.833 -12.280   5.819
  613   HG23  THR  80          HG23      THR  80  -2.979 -10.819   6.317
  614    H    THR  81           H        THR  81   0.384 -11.577   8.679
  615    HA   THR  81           HA       THR  81   1.145 -13.864  10.421
  616    HB   THR  81           HB       THR  81   1.659 -14.557   8.165
  617    HG1  THR  81           HG1      THR  81   4.004 -13.505   9.361
  618   HG21  THR  81          HG21      THR  81   2.693 -11.750   7.942
  619   HG22  THR  81          HG22      THR  81   1.625 -12.635   6.851
  620   HG23  THR  81          HG23      THR  81   3.347 -13.009   6.895
  621    HA   PRO  82           HA       PRO  82   3.415 -10.793  12.679
  622    HB2  PRO  82           HB2      PRO  82   5.657 -12.293  13.385
  623    HB3  PRO  82           HB3      PRO  82   4.119 -12.274  14.266
  624    HG2  PRO  82           HG3      PRO  82   5.170 -14.261  12.332
  625    HG3  PRO  82           HG2      PRO  82   4.163 -14.500  13.769
  626    HD2  PRO  82           HD3      PRO  82   3.141 -14.602  11.256
  627    HD3  PRO  82           HD2      PRO  82   2.195 -14.018  12.641
  628    HA   PRO  83           HA       PRO  83   6.200  -9.645   9.272
  629    HB2  PRO  83           HB2      PRO  83   6.482  -7.006   9.956
  630    HB3  PRO  83           HB3      PRO  83   5.118  -7.654   9.032
  631    HG2  PRO  83           HG3      PRO  83   5.261  -6.825  11.857
  632    HG3  PRO  83           HG2      PRO  83   3.887  -6.820  10.743
  633    HD2  PRO  83           HD3      PRO  83   4.336  -8.708  12.759
  634    HD3  PRO  83           HD2      PRO  83   3.224  -8.908  11.390
  635    H    VAL  84           H        VAL  84   8.414  -9.126   9.061
  636    HA   VAL  84           HA       VAL  84   9.952  -9.307  11.610
  637    HB   VAL  84           HB       VAL  84  10.898  -9.725   8.755
  638   HG11  VAL  84          HG11      VAL  84  12.645  -9.052  10.397
  639   HG12  VAL  84          HG12      VAL  84  12.874 -10.702   9.818
  640   HG13  VAL  84          HG13      VAL  84  12.183 -10.416  11.416
  641   HG21  VAL  84          HG21      VAL  84  10.994 -12.147  10.127
  642   HG22  VAL  84          HG22      VAL  84   9.790 -11.694   8.919
  643   HG23  VAL  84          HG23      VAL  84   9.456 -11.445  10.634
  644    H    GLU  85           H        GLU  85  11.248  -7.595  12.226
  645    HA   GLU  85           HA       GLU  85  11.919  -5.331  12.253
  646    HB2  GLU  85           HB3      GLU  85  13.630  -6.436  10.784
  647    HB3  GLU  85           HB2      GLU  85  12.650  -5.996   9.384
  648    HG2  GLU  85           HG3      GLU  85  12.820  -3.602  10.060
  649    HG3  GLU  85           HG2      GLU  85  13.890  -4.078  11.379
  650    H    ALA  86           H        ALA  86   9.467  -4.892  12.262
  651    HA   ALA  86           HA       ALA  86   7.898  -4.239  10.073
  652    HB1  ALA  86           HB1      ALA  86   7.993  -2.384  12.445
  653    HB2  ALA  86           HB2      ALA  86   7.395  -4.035  12.620
  654    HB3  ALA  86           HB3      ALA  86   6.592  -2.918  11.515
  655    H    LYS  87           H        LYS  87   7.515  -2.265   8.905
  656    HA   LYS  87           HA       LYS  87   9.802  -0.966   7.891
  657    HB2  LYS  87           HB3      LYS  87   7.544  -0.985   6.812
  658    HB3  LYS  87           HB2      LYS  87   6.993   0.168   8.025
  659    HG2  LYS  87           HG3      LYS  87   8.765   1.752   7.293
  660    HG3  LYS  87           HG2      LYS  87   9.237   0.610   6.034
  661    HD2  LYS  87           HD3      LYS  87   6.890   0.712   5.145
  662    HD3  LYS  87           HD2      LYS  87   6.550   1.985   6.318
  663    HE2  LYS  87           HE3      LYS  87   8.290   2.066   3.883
  664    HE3  LYS  87           HE2      LYS  87   7.154   3.272   4.489
  665    HZ1  LYS  87           HZ1      LYS  87   8.660   3.840   6.232
  666    HZ2  LYS  87           HZ2      LYS  87   9.513   3.896   4.769
  667    HZ3  LYS  87           HZ3      LYS  87   9.715   2.575   5.817
  668    H    LEU  88           H        LEU  88   7.715  -0.086  10.615
  669    HA   LEU  88           HA       LEU  88   9.235   2.413  11.043
  670    HB2  LEU  88           HB3      LEU  88   7.023   1.189  12.721
  671    HB3  LEU  88           HB2      LEU  88   7.644   2.835  12.841
  672    HG   LEU  88           HG       LEU  88   6.217   1.624  10.456
  673   HD11  LEU  88          HD11      LEU  88   5.326   3.024  12.814
  674   HD12  LEU  88          HD12      LEU  88   4.362   2.374  11.489
  675   HD13  LEU  88          HD13      LEU  88   5.010   4.012  11.387
  676   HD21  LEU  88          HD21      LEU  88   7.685   3.117   9.441
  677   HD22  LEU  88          HD22      LEU  88   7.767   4.160  10.860
  678   HD23  LEU  88          HD23      LEU  88   6.343   4.196   9.820
  679    H    GLN  89           H        GLN  89  10.683   2.711  12.747
  680    HA   GLN  89           HA       GLN  89  11.041   0.576  14.747
  681    HB2  GLN  89           HB3      GLN  89  13.349   0.128  14.202
  682    HB3  GLN  89           HB2      GLN  89  12.408  -0.095  12.726
  683    HG2  GLN  89           HG3      GLN  89  12.962   2.309  12.133
  684    HG3  GLN  89           HG2      GLN  89  14.096   2.300  13.485
  685   HE21  GLN  89          HE22      GLN  89  16.095   2.271  12.361
  686   HE22  GLN  89          HE21      GLN  89  16.540   1.051  11.269
  Start of MODEL    9
    1    H1   SER  -1           H1       SER  -1   9.623 -13.319  -2.554
    2    H2   SER  -1           H2       SER  -1  11.191 -12.669  -2.601
    3    H3   SER  -1           H3       SER  -1  10.363 -13.000  -4.047
    4    HA   SER  -1           HA       SER  -1  10.494 -10.577  -3.067
    5    HB2  SER  -1           HB3      SER  -1   9.342 -10.530  -5.026
    6    HB3  SER  -1           HB2      SER  -1   8.548 -12.068  -4.699
    7    HG   SER  -1           HG       SER  -1   7.025 -10.419  -4.656
    8    H    GLU   0           H        GLU   0  10.365 -10.257  -0.822
    9    HA   GLU   0           HA       GLU   0   8.305 -11.271   0.868
   10    HB2  GLU   0           HB3      GLU   0   9.995  -8.765   1.141
   11    HB3  GLU   0           HB2      GLU   0   9.005  -9.453   2.430
   12    HG2  GLU   0           HG3      GLU   0  10.286 -11.574   2.256
   13    HG3  GLU   0           HG2      GLU   0  11.307 -10.837   1.021
   14    H    MET   1           H        MET   1   8.472  -8.412  -1.184
   15    HA   MET   1           HA       MET   1   6.241  -6.993  -0.133
   16    HB2  MET   1           HB3      MET   1   7.164  -7.165  -3.019
   17    HB3  MET   1           HB2      MET   1   6.139  -5.905  -2.332
   18    HG2  MET   1           HG3      MET   1   8.989  -6.520  -1.497
   19    HG3  MET   1           HG2      MET   1   8.471  -5.136  -2.458
   20    HE1  MET   1           HE1      MET   1   5.573  -4.251  -0.681
   21    HE2  MET   1           HE2      MET   1   6.715  -3.707  -1.917
   22    HE3  MET   1           HE3      MET   1   6.605  -2.855  -0.379
   23    H    GLN   2           H        GLN   2   6.447  -9.724  -2.352
   24    HA   GLN   2           HA       GLN   2   4.793 -11.123  -3.229
   25    HB2  GLN   2           HB3      GLN   2   3.247 -10.048  -0.850
   26    HB3  GLN   2           HB2      GLN   2   2.772 -11.439  -1.823
   27    HG2  GLN   2           HG3      GLN   2   5.385 -11.201  -0.305
   28    HG3  GLN   2           HG2      GLN   2   3.980 -12.116   0.240
   29   HE21  GLN   2          HE22      GLN   2   6.878 -12.785  -0.954
   30   HE22  GLN   2          HE21      GLN   2   6.525 -14.060  -2.016
   31    H    HIS   3           H        HIS   3   4.387 -10.075  -5.189
   32    HA   HIS   3           HA       HIS   3   3.117  -8.929  -6.782
   33    HB2  HIS   3           HB3      HIS   3   0.947  -9.019  -4.669
   34    HB3  HIS   3           HB2      HIS   3   0.726  -8.819  -6.406
   35    HD1  HIS   3           HD1      HIS   3   1.489 -11.387  -3.791
   36    HD2  HIS   3           HD2      HIS   3   1.127 -11.206  -7.944
   37    HE1  HIS   3           HE1      HIS   3   1.407 -13.784  -4.610
   38    HE2  HIS   3           HE2      HIS   3   1.187 -13.685  -7.135
   39    H    ALA   4           H        ALA   4   4.798  -7.257  -5.318
   40    HA   ALA   4           HA       ALA   4   3.478  -5.030  -4.093
   41    HB1  ALA   4           HB1      ALA   4   5.893  -4.301  -5.564
   42    HB2  ALA   4           HB2      ALA   4   6.121  -5.763  -4.606
   43    HB3  ALA   4           HB3      ALA   4   5.593  -4.271  -3.828
   44    H    SER   5           H        SER   5   4.406  -5.698  -7.455
   45    HA   SER   5           HA       SER   5   3.724  -3.164  -8.551
   46    HB2  SER   5           HB3      SER   5   4.948  -4.994  -9.762
   47    HB3  SER   5           HB2      SER   5   3.423  -5.864  -9.896
   48    HG   SER   5           HG       SER   5   2.720  -4.435 -11.319
   49    H    VAL   6           H        VAL   6   1.741  -5.965  -7.733
   50    HA   VAL   6           HA       VAL   6  -0.636  -5.196  -9.089
   51    HB   VAL   6           HB       VAL   6  -0.207  -6.740  -6.533
   52   HG11  VAL   6          HG11      VAL   6  -2.718  -6.051  -8.042
   53   HG12  VAL   6          HG12      VAL   6  -2.423  -5.990  -6.305
   54   HG13  VAL   6          HG13      VAL   6  -2.609  -7.546  -7.112
   55   HG21  VAL   6          HG21      VAL   6  -0.796  -7.506  -9.405
   56   HG22  VAL   6          HG22      VAL   6  -0.852  -8.646  -8.061
   57   HG23  VAL   6          HG23      VAL   6   0.668  -7.863  -8.489
   58    H    ILE   7           H        ILE   7   0.497  -4.436  -5.805
   59    HA   ILE   7           HA       ILE   7  -1.766  -2.894  -5.008
   60    HB   ILE   7           HB       ILE   7   1.142  -2.545  -4.210
   61   HG12  ILE   7          HG13      ILE   7  -1.027  -4.121  -2.801
   62   HG13  ILE   7          HG12      ILE   7   0.102  -4.862  -3.938
   63   HG21  ILE   7          HG21      ILE   7   0.191  -1.558  -2.159
   64   HG22  ILE   7          HG22      ILE   7  -1.435  -1.762  -2.811
   65   HG23  ILE   7          HG23      ILE   7  -0.309  -0.644  -3.583
   66   HD11  ILE   7          HD11      ILE   7   1.976  -3.858  -2.530
   67   HD12  ILE   7          HD12      ILE   7   1.065  -5.166  -1.774
   68   HD13  ILE   7          HD13      ILE   7   0.745  -3.492  -1.321
   69    H    ALA   8           H        ALA   8   1.289  -1.949  -6.581
   70    HA   ALA   8           HA       ALA   8   0.735   0.845  -6.730
   71    HB1  ALA   8           HB1      ALA   8   2.206  -0.396  -8.993
   72    HB2  ALA   8           HB2      ALA   8   2.871  -0.687  -7.386
   73    HB3  ALA   8           HB3      ALA   8   2.661   0.964  -7.967
   74    H    GLN   9           H        GLN   9  -0.137  -1.870  -8.818
   75    HA   GLN   9           HA       GLN   9  -1.192  -0.328 -10.985
   76    HB2  GLN   9           HB3      GLN   9  -0.671  -2.782 -11.067
   77    HB3  GLN   9           HB2      GLN   9  -2.098  -3.070 -10.072
   78    HG2  GLN   9           HG3      GLN   9  -3.495  -1.947 -11.797
   79    HG3  GLN   9           HG2      GLN   9  -2.061  -1.761 -12.807
   80   HE21  GLN   9          HE22      GLN   9  -4.549  -3.985 -11.824
   81   HE22  GLN   9          HE21      GLN   9  -3.977  -5.329 -12.688
   82    H    PHE  10           H        PHE  10  -2.705  -1.603  -8.026
   83    HA   PHE  10           HA       PHE  10  -5.378  -0.875  -8.685
   84    HB2  PHE  10           HB3      PHE  10  -3.917  -1.379  -6.121
   85    HB3  PHE  10           HB2      PHE  10  -5.530  -0.673  -6.057
   86    HD1  PHE  10           HD2      PHE  10  -7.408  -1.865  -7.358
   87    HD2  PHE  10           HD1      PHE  10  -3.643  -3.703  -6.413
   88    HE1  PHE  10           HE2      PHE  10  -8.419  -4.106  -7.690
   89    HE2  PHE  10           HE1      PHE  10  -4.657  -5.944  -6.742
   90    HZ   PHE  10           HZ       PHE  10  -7.043  -6.144  -7.376
   91    H    VAL  11           H        VAL  11  -2.949   0.943  -6.780
   92    HA   VAL  11           HA       VAL  11  -4.639   3.229  -6.426
   93    HB   VAL  11           HB       VAL  11  -2.487   4.430  -5.948
   94   HG11  VAL  11          HG11      VAL  11  -2.811   3.575  -3.893
   95   HG12  VAL  11          HG12      VAL  11  -1.902   2.138  -4.361
   96   HG13  VAL  11          HG13      VAL  11  -3.650   2.191  -4.593
   97   HG21  VAL  11          HG21      VAL  11  -0.423   3.007  -5.918
   98   HG22  VAL  11          HG22      VAL  11  -1.040   3.300  -7.545
   99   HG23  VAL  11          HG23      VAL  11  -1.332   1.751  -6.755
  100    H    VAL  12           H        VAL  12  -2.241   2.389  -8.914
  101    HA   VAL  12           HA       VAL  12  -2.387   4.870 -10.334
  102    HB   VAL  12           HB       VAL  12  -1.710   2.074 -11.263
  103   HG11  VAL  12          HG11      VAL  12  -1.423   4.741 -12.671
  104   HG12  VAL  12          HG12      VAL  12  -2.408   3.375 -13.196
  105   HG13  VAL  12          HG13      VAL  12  -0.650   3.250 -13.206
  106   HG21  VAL  12          HG21      VAL  12   0.408   4.063 -11.223
  107   HG22  VAL  12          HG22      VAL  12   0.346   2.490 -10.428
  108   HG23  VAL  12          HG23      VAL  12  -0.344   3.906  -9.636
  109    H    GLU  13           H        GLU  13  -4.159   1.794 -10.757
  110    HA   GLU  13           HA       GLU  13  -5.768   2.773 -12.940
  111    HB2  GLU  13           HB3      GLU  13  -6.120   0.456 -11.042
  112    HB3  GLU  13           HB2      GLU  13  -7.182   0.765 -12.407
  113    HG2  GLU  13           HG3      GLU  13  -5.224   0.674 -13.926
  114    HG3  GLU  13           HG2      GLU  13  -4.205   0.274 -12.548
  115    H    GLU  14           H        GLU  14  -6.039   2.916  -9.469
  116    HA   GLU  14           HA       GLU  14  -8.840   3.448  -9.300
  117    HB2  GLU  14           HB3      GLU  14  -7.350   2.863  -7.367
  118    HB3  GLU  14           HB2      GLU  14  -6.678   4.491  -7.455
  119    HG2  GLU  14           HG3      GLU  14  -8.969   5.422  -7.148
  120    HG3  GLU  14           HG2      GLU  14  -9.585   3.780  -6.965
  121    H    PHE  15           H        PHE  15  -6.103   5.560 -10.044
  122    HA   PHE  15           HA       PHE  15  -8.091   7.741 -10.520
  123    HB2  PHE  15           HB3      PHE  15  -5.395   8.018  -9.171
  124    HB3  PHE  15           HB2      PHE  15  -6.405   9.372  -9.674
  125    HD1  PHE  15           HD2      PHE  15  -8.722   9.620  -8.688
  126    HD2  PHE  15           HD1      PHE  15  -5.839   6.830  -7.156
  127    HE1  PHE  15           HE2      PHE  15 -10.014   9.444  -6.579
  128    HE2  PHE  15           HE1      PHE  15  -7.131   6.653  -5.046
  129    HZ   PHE  15           HZ       PHE  15  -9.218   7.960  -4.758
  130    H    LEU  16           H        LEU  16  -4.850   6.463 -11.300
  131    HA   LEU  16           HA       LEU  16  -5.033   7.972 -13.879
  132    HB2  LEU  16           HB3      LEU  16  -2.796   7.570 -11.955
  133    HB3  LEU  16           HB2      LEU  16  -2.401   7.596 -13.672
  134    HG   LEU  16           HG       LEU  16  -4.141   9.723 -12.430
  135   HD11  LEU  16          HD11      LEU  16  -2.293  10.232 -11.179
  136   HD12  LEU  16          HD12      LEU  16  -1.741  10.955 -12.690
  137   HD13  LEU  16          HD13      LEU  16  -1.203   9.338 -12.238
  138   HD21  LEU  16          HD21      LEU  16  -3.430   9.107 -15.049
  139   HD22  LEU  16          HD22      LEU  16  -2.313  10.402 -14.615
  140   HD23  LEU  16          HD23      LEU  16  -4.053  10.660 -14.491
  141    HA   PRO  17           HA       PRO  17  -4.743   3.443 -14.837
  142    HB2  PRO  17           HB2      PRO  17  -6.700   3.425 -16.752
  143    HB3  PRO  17           HB3      PRO  17  -7.015   3.175 -15.026
  144    HG2  PRO  17           HG3      PRO  17  -7.471   5.566 -16.703
  145    HG3  PRO  17           HG2      PRO  17  -8.368   4.980 -15.297
  146    HD2  PRO  17           HD3      PRO  17  -6.539   7.077 -15.264
  147    HD3  PRO  17           HD2      PRO  17  -7.076   6.171 -13.836
  148    H    ASP  18           H        ASP  18  -4.489   6.357 -16.660
  149    HA   ASP  18           HA       ASP  18  -3.487   4.975 -19.067
  150    HB2  ASP  18           HB3      ASP  18  -3.888   7.890 -18.387
  151    HB3  ASP  18           HB2      ASP  18  -3.236   7.326 -19.919
  152    H    VAL  19           H        VAL  19  -2.169   5.467 -16.172
  153    HA   VAL  19           HA       VAL  19   0.482   6.330 -17.263
  154    HB   VAL  19           HB       VAL  19  -0.480   6.374 -14.388
  155   HG11  VAL  19          HG11      VAL  19   2.017   7.409 -15.762
  156   HG12  VAL  19          HG12      VAL  19   1.930   6.147 -14.533
  157   HG13  VAL  19          HG13      VAL  19   1.560   7.819 -14.108
  158   HG21  VAL  19          HG21      VAL  19  -0.064   8.688 -16.305
  159   HG22  VAL  19          HG22      VAL  19  -0.707   8.771 -14.665
  160   HG23  VAL  19          HG23      VAL  19  -1.643   7.991 -15.940
  161    H    ALA  20           H        ALA  20   2.164   4.894 -17.124
  162    HA   ALA  20           HA       ALA  20   1.605   2.147 -16.408
  163    HB1  ALA  20           HB1      ALA  20   3.699   1.661 -17.293
  164    HB2  ALA  20           HB2      ALA  20   4.394   3.186 -16.743
  165    HB3  ALA  20           HB3      ALA  20   3.314   3.162 -18.138
  166    HA   PRO  21           HA       PRO  21   2.351   2.829 -11.968
  167    HB2  PRO  21           HB2      PRO  21   2.871  -0.106 -12.046
  168    HB3  PRO  21           HB3      PRO  21   1.802   0.821 -10.979
  169    HG2  PRO  21           HG3      PRO  21   0.864  -0.672 -12.991
  170    HG3  PRO  21           HG2      PRO  21   0.086   0.836 -12.483
  171    HD2  PRO  21           HD3      PRO  21   1.687   0.286 -14.926
  172    HD3  PRO  21           HD2      PRO  21   0.410   1.491 -14.649
  173    H    ALA  22           H        ALA  22   4.483   1.126 -14.179
  174    HA   ALA  22           HA       ALA  22   6.734   0.840 -12.426
  175    HB1  ALA  22           HB1      ALA  22   7.120   1.362 -15.351
  176    HB2  ALA  22           HB2      ALA  22   6.260  -0.098 -14.864
  177    HB3  ALA  22           HB3      ALA  22   7.912   0.176 -14.313
  178    H    ASP  23           H        ASP  23   5.415   3.554 -14.161
  179    HA   ASP  23           HA       ASP  23   7.857   5.158 -13.965
  180    HB2  ASP  23           HB3      ASP  23   6.172   5.463 -15.795
  181    HB3  ASP  23           HB2      ASP  23   5.028   6.053 -14.588
  182    H    VAL  24           H        VAL  24   5.901   4.074 -11.626
  183    HA   VAL  24           HA       VAL  24   5.826   6.664 -10.132
  184    HB   VAL  24           HB       VAL  24   4.484   4.069  -9.355
  185   HG11  VAL  24          HG11      VAL  24   4.920   6.176  -7.803
  186   HG12  VAL  24          HG12      VAL  24   3.380   5.316  -7.745
  187   HG13  VAL  24          HG13      VAL  24   3.519   6.817  -8.661
  188   HG21  VAL  24          HG21      VAL  24   3.318   6.392 -10.931
  189   HG22  VAL  24          HG22      VAL  24   2.433   4.969 -10.379
  190   HG23  VAL  24          HG23      VAL  24   3.696   4.804 -11.599
  191    H    ASP  25           H        ASP  25   7.144   6.893  -8.350
  192    HA   ASP  25           HA       ASP  25   8.977   4.658  -7.745
  193    HB2  ASP  25           HB3      ASP  25   8.845   7.514  -6.724
  194    HB3  ASP  25           HB2      ASP  25  10.087   6.348  -6.265
  195    H    VAL  26           H        VAL  26   8.439   3.230  -6.160
  196    HA   VAL  26           HA       VAL  26   6.229   3.768  -4.347
  197    HB   VAL  26           HB       VAL  26   6.704   1.542  -3.465
  198   HG11  VAL  26          HG11      VAL  26   6.332   2.142  -6.266
  199   HG12  VAL  26          HG12      VAL  26   5.633   0.833  -5.313
  200   HG13  VAL  26          HG13      VAL  26   7.206   0.620  -6.083
  201   HG21  VAL  26          HG21      VAL  26   8.681   0.283  -4.368
  202   HG22  VAL  26          HG22      VAL  26   9.129   1.649  -3.346
  203   HG23  VAL  26          HG23      VAL  26   9.245   1.785  -5.100
  204    H    ASP  27           H        ASP  27   9.248   4.977  -4.366
  205    HA   ASP  27           HA       ASP  27   9.820   4.641  -1.488
  206    HB2  ASP  27           HB3      ASP  27  11.263   6.102  -3.719
  207    HB3  ASP  27           HB2      ASP  27  11.819   6.059  -2.049
  208    H    LEU  28           H        LEU  28   7.904   6.597  -3.394
  209    HA   LEU  28           HA       LEU  28   8.277   9.007  -1.693
  210    HB2  LEU  28           HB3      LEU  28   8.139   9.281  -4.165
  211    HB3  LEU  28           HB2      LEU  28   6.514   8.607  -4.129
  212    HG   LEU  28           HG       LEU  28   5.875  10.438  -2.515
  213   HD11  LEU  28          HD11      LEU  28   7.550  12.463  -2.795
  214   HD12  LEU  28          HD12      LEU  28   8.729  11.182  -3.072
  215   HD13  LEU  28          HD13      LEU  28   7.835  11.245  -1.554
  216   HD21  LEU  28          HD21      LEU  28   6.535  12.219  -4.566
  217   HD22  LEU  28          HD22      LEU  28   5.073  11.237  -4.471
  218   HD23  LEU  28          HD23      LEU  28   6.476  10.645  -5.361
  219    H    ASP  29           H        ASP  29   6.704   9.653  -0.235
  220    HA   ASP  29           HA       ASP  29   4.865   7.718   0.754
  221    HB2  ASP  29           HB3      ASP  29   4.939  10.733   1.089
  222    HB3  ASP  29           HB2      ASP  29   3.865   9.675   2.001
  223    H    LEU  30           H        LEU  30   2.797   7.252   0.229
  224    HA   LEU  30           HA       LEU  30   1.724   8.161  -2.277
  225    HB2  LEU  30           HB3      LEU  30   1.318   5.967  -0.802
  226    HB3  LEU  30           HB2      LEU  30  -0.047   6.917  -0.228
  227    HG   LEU  30           HG       LEU  30   0.575   6.200  -3.103
  228   HD11  LEU  30          HD11      LEU  30  -2.055   5.607  -1.917
  229   HD12  LEU  30          HD12      LEU  30  -0.715   4.736  -1.171
  230   HD13  LEU  30          HD13      LEU  30  -1.011   4.586  -2.903
  231   HD21  LEU  30          HD21      LEU  30  -1.751   7.332  -3.399
  232   HD22  LEU  30          HD22      LEU  30  -0.329   8.365  -3.258
  233   HD23  LEU  30          HD23      LEU  30  -1.387   8.123  -1.868
  234    H    VAL  31           H        VAL  31   0.980   8.955   1.106
  235    HA   VAL  31           HA       VAL  31  -1.334  10.532   0.549
  236    HB   VAL  31           HB       VAL  31   0.636  10.681   2.839
  237   HG11  VAL  31          HG11      VAL  31  -0.385  12.667   3.250
  238   HG12  VAL  31          HG12      VAL  31  -1.780  11.691   3.710
  239   HG13  VAL  31          HG13      VAL  31  -1.663  12.349   2.077
  240   HG21  VAL  31          HG21      VAL  31  -0.467   8.855   3.574
  241   HG22  VAL  31          HG22      VAL  31  -1.428   8.847   2.095
  242   HG23  VAL  31          HG23      VAL  31  -1.988   9.745   3.506
  243    H    ASP  32           H        ASP  32   2.107  11.378   0.608
  244    HA   ASP  32           HA       ASP  32   1.888  14.185   0.559
  245    HB2  ASP  32           HB3      ASP  32   4.040  12.843   0.571
  246    HB3  ASP  32           HB2      ASP  32   3.807  12.580  -1.158
  247    H    ASN  33           H        ASN  33   1.307  11.806  -1.950
  248    HA   ASN  33           HA       ASN  33   1.038  13.681  -4.128
  249    HB2  ASN  33           HB3      ASN  33   0.049  10.862  -3.713
  250    HB3  ASN  33           HB2      ASN  33  -0.138  11.739  -5.225
  251   HD21  ASN  33          HD22      ASN  33   1.432   9.357  -5.119
  252   HD22  ASN  33          HD21      ASN  33   3.062   9.769  -5.356
  253    H    GLY  34           H        GLY  34  -1.195  12.305  -1.760
  254    HA2  GLY  34           HA3      GLY  34  -3.291  13.215  -1.091
  255    HA3  GLY  34           HA2      GLY  34  -3.158  14.403  -2.391
  256    H    VAL  35           H        VAL  35  -2.435  11.379  -3.595
  257    HA   VAL  35           HA       VAL  35  -4.731  11.252  -5.282
  258    HB   VAL  35           HB       VAL  35  -2.771   9.090  -4.448
  259   HG11  VAL  35          HG11      VAL  35  -4.762   7.989  -5.230
  260   HG12  VAL  35          HG12      VAL  35  -3.610   7.970  -6.565
  261   HG13  VAL  35          HG13      VAL  35  -4.938   9.130  -6.563
  262   HG21  VAL  35          HG21      VAL  35  -2.743  10.094  -7.200
  263   HG22  VAL  35          HG22      VAL  35  -1.408   9.905  -6.064
  264   HG23  VAL  35          HG23      VAL  35  -2.410  11.356  -6.014
  265    H    ILE  36           H        ILE  36  -4.041   9.983  -2.091
  266    HA   ILE  36           HA       ILE  36  -6.498   8.363  -2.045
  267    HB   ILE  36           HB       ILE  36  -4.509   9.009   0.154
  268   HG12  ILE  36          HG13      ILE  36  -4.839   6.481  -1.483
  269   HG13  ILE  36          HG12      ILE  36  -3.621   7.709  -1.804
  270   HG21  ILE  36          HG21      ILE  36  -5.549   7.051   1.266
  271   HG22  ILE  36          HG22      ILE  36  -6.735   6.965  -0.034
  272   HG23  ILE  36          HG23      ILE  36  -6.701   8.367   1.036
  273   HD11  ILE  36          HD11      ILE  36  -3.358   5.568  -0.037
  274   HD12  ILE  36          HD12      ILE  36  -3.670   6.958   1.003
  275   HD13  ILE  36          HD13      ILE  36  -2.308   6.982  -0.116
  276    H    ASP  37           H        ASP  37  -8.399   9.063  -1.262
  277    HA   ASP  37           HA       ASP  37  -8.470  11.594   0.322
  278    HB2  ASP  37           HB3      ASP  37  -9.228  11.855  -2.096
  279    HB3  ASP  37           HB2      ASP  37 -10.558  10.762  -1.711
  280    H    ALA  38           H        ALA  38 -11.201  11.572   0.899
  281    HA   ALA  38           HA       ALA  38 -11.340   9.619   2.994
  282    HB1  ALA  38           HB1      ALA  38 -12.716  11.916   2.414
  283    HB2  ALA  38           HB2      ALA  38 -13.217  10.743   3.633
  284    HB3  ALA  38           HB3      ALA  38 -13.914  10.683   2.014
  285    H    LEU  39           H        LEU  39 -13.174   9.870  -0.059
  286    HA   LEU  39           HA       LEU  39 -14.292   7.216   0.182
  287    HB2  LEU  39           HB3      LEU  39 -13.915   8.877  -2.322
  288    HB3  LEU  39           HB2      LEU  39 -15.040   7.542  -2.110
  289    HG   LEU  39           HG       LEU  39 -15.109  10.218  -0.713
  290   HD11  LEU  39          HD11      LEU  39 -17.189   8.850  -2.433
  291   HD12  LEU  39          HD12      LEU  39 -16.019  10.008  -3.065
  292   HD13  LEU  39          HD13      LEU  39 -17.202  10.518  -1.860
  293   HD21  LEU  39          HD21      LEU  39 -16.520   7.619  -0.160
  294   HD22  LEU  39          HD22      LEU  39 -17.317   9.151   0.200
  295   HD23  LEU  39          HD23      LEU  39 -15.789   8.746   0.983
  296    H    GLY  40           H        GLY  40 -11.439   8.667  -1.209
  297    HA2  GLY  40           HA3      GLY  40 -10.527   6.493  -2.784
  298    HA3  GLY  40           HA2      GLY  40  -9.481   7.708  -2.039
  299    H    LEU  41           H        LEU  41 -10.123   7.243   0.660
  300    HA   LEU  41           HA       LEU  41  -8.412   5.023   1.264
  301    HB2  LEU  41           HB3      LEU  41  -8.776   7.023   2.737
  302    HB3  LEU  41           HB2      LEU  41 -10.396   6.418   3.085
  303    HG   LEU  41           HG       LEU  41  -8.214   4.453   3.461
  304   HD11  LEU  41          HD11      LEU  41  -7.876   5.563   5.811
  305   HD12  LEU  41          HD12      LEU  41  -8.405   7.033   4.992
  306   HD13  LEU  41          HD13      LEU  41  -6.967   6.182   4.432
  307   HD21  LEU  41          HD21      LEU  41  -9.565   4.000   5.506
  308   HD22  LEU  41          HD22      LEU  41 -10.552   3.971   4.045
  309   HD23  LEU  41          HD23      LEU  41 -10.592   5.377   5.108
  310    H    LEU  42           H        LEU  42 -11.932   5.468   1.320
  311    HA   LEU  42           HA       LEU  42 -12.624   2.930   2.412
  312    HB2  LEU  42           HB3      LEU  42 -14.243   4.777   2.110
  313    HB3  LEU  42           HB2      LEU  42 -14.113   4.603   0.360
  314    HG   LEU  42           HG       LEU  42 -14.708   2.047   1.050
  315   HD11  LEU  42          HD11      LEU  42 -14.945   2.615   3.434
  316   HD12  LEU  42          HD12      LEU  42 -16.493   2.118   2.752
  317   HD13  LEU  42          HD13      LEU  42 -16.159   3.829   3.026
  318   HD21  LEU  42          HD21      LEU  42 -17.152   2.816   0.594
  319   HD22  LEU  42          HD22      LEU  42 -15.939   3.079  -0.660
  320   HD23  LEU  42          HD23      LEU  42 -16.439   4.415   0.381
  321    H    LYS  43           H        LYS  43 -12.193   3.965  -0.958
  322    HA   LYS  43           HA       LYS  43 -12.803   1.478  -2.173
  323    HB2  LYS  43           HB3      LYS  43 -10.919   3.672  -3.053
  324    HB3  LYS  43           HB2      LYS  43 -11.417   2.330  -4.077
  325    HG2  LYS  43           HG3      LYS  43 -13.796   3.006  -3.744
  326    HG3  LYS  43           HG2      LYS  43 -13.237   4.406  -2.831
  327    HD2  LYS  43           HD3      LYS  43 -11.912   5.124  -4.829
  328    HD3  LYS  43           HD2      LYS  43 -12.618   3.785  -5.733
  329    HE2  LYS  43           HE3      LYS  43 -14.246   5.272  -6.277
  330    HE3  LYS  43           HE2      LYS  43 -14.850   4.965  -4.648
  331    HZ1  LYS  43           HZ1      LYS  43 -14.077   6.929  -3.889
  332    HZ2  LYS  43           HZ2      LYS  43 -14.240   7.382  -5.514
  333    HZ3  LYS  43           HZ3      LYS  43 -12.718   6.933  -4.908
  334    H    VAL  44           H        VAL  44  -9.815   2.709  -0.758
  335    HA   VAL  44           HA       VAL  44  -8.053   0.684  -1.697
  336    HB   VAL  44           HB       VAL  44  -8.011   2.340   0.832
  337   HG11  VAL  44          HG11      VAL  44  -5.430   1.631   0.429
  338   HG12  VAL  44          HG12      VAL  44  -6.231   0.179  -0.169
  339   HG13  VAL  44          HG13      VAL  44  -6.516   0.725   1.482
  340   HG21  VAL  44          HG21      VAL  44  -7.798   3.316  -1.600
  341   HG22  VAL  44          HG22      VAL  44  -6.183   2.608  -1.543
  342   HG23  VAL  44          HG23      VAL  44  -6.652   3.829  -0.360
  343    H    ILE  45           H        ILE  45  -9.917   0.890   1.328
  344    HA   ILE  45           HA       ILE  45  -9.079  -1.674   2.307
  345    HB   ILE  45           HB       ILE  45 -11.227   0.289   2.990
  346   HG12  ILE  45          HG13      ILE  45 -10.123   0.039   5.230
  347   HG13  ILE  45          HG12      ILE  45  -8.997  -1.106   4.506
  348   HG21  ILE  45          HG21      ILE  45 -11.877  -1.407   4.828
  349   HG22  ILE  45          HG22      ILE  45 -11.151  -2.620   3.774
  350   HG23  ILE  45          HG23      ILE  45 -12.523  -1.667   3.209
  351   HD11  ILE  45          HD11      ILE  45  -7.781   0.542   3.546
  352   HD12  ILE  45          HD12      ILE  45  -8.649   1.641   4.618
  353   HD13  ILE  45          HD13      ILE  45  -9.224   1.379   2.974
  354    H    ALA  46           H        ALA  46 -11.775  -0.662   0.246
  355    HA   ALA  46           HA       ALA  46 -13.280  -3.085   0.464
  356    HB1  ALA  46           HB1      ALA  46 -14.394  -1.208  -0.457
  357    HB2  ALA  46           HB2      ALA  46 -14.204  -2.328  -1.806
  358    HB3  ALA  46           HB3      ALA  46 -13.125  -0.942  -1.652
  359    H    TRP  47           H        TRP  47 -10.922  -2.083  -2.066
  360    HA   TRP  47           HA       TRP  47 -11.088  -4.743  -3.288
  361    HB2  TRP  47           HB3      TRP  47 -10.318  -3.591  -5.056
  362    HB3  TRP  47           HB2      TRP  47 -10.059  -2.171  -4.042
  363    HD1  TRP  47           HD1      TRP  47  -8.262  -5.516  -4.824
  364    HE1  TRP  47           HE1      TRP  47  -5.719  -5.091  -4.723
  365    HE3  TRP  47           HE3      TRP  47  -8.255  -0.610  -3.488
  366    HZ2  TRP  47           HZ2      TRP  47  -3.919  -2.936  -4.147
  367    HZ3  TRP  47           HZ3      TRP  47  -6.123   0.617  -3.164
  368    HH2  TRP  47           HH2      TRP  47  -3.955  -0.540  -3.497
  369    H    LEU  48           H        LEU  48  -8.666  -2.941  -1.401
  370    HA   LEU  48           HA       LEU  48  -6.631  -4.906  -1.450
  371    HB2  LEU  48           HB3      LEU  48  -6.397  -2.569  -0.571
  372    HB3  LEU  48           HB2      LEU  48  -7.325  -3.047   0.847
  373    HG   LEU  48           HG       LEU  48  -5.520  -4.952   1.020
  374   HD11  LEU  48          HD11      LEU  48  -3.526  -4.649  -0.086
  375   HD12  LEU  48          HD12      LEU  48  -3.700  -2.895  -0.133
  376   HD13  LEU  48          HD13      LEU  48  -4.596  -3.899  -1.271
  377   HD21  LEU  48          HD21      LEU  48  -5.512  -2.111   1.872
  378   HD22  LEU  48          HD22      LEU  48  -3.980  -2.966   2.053
  379   HD23  LEU  48          HD23      LEU  48  -5.431  -3.577   2.848
  380    H    GLU  49           H        GLU  49  -9.380  -4.526   0.795
  381    HA   GLU  49           HA       GLU  49  -8.613  -6.802   2.410
  382    HB2  GLU  49           HB3      GLU  49 -10.624  -6.439   3.580
  383    HB3  GLU  49           HB2      GLU  49 -10.151  -4.834   3.051
  384    HG2  GLU  49           HG3      GLU  49 -12.398  -4.891   2.425
  385    HG3  GLU  49           HG2      GLU  49 -11.592  -5.400   0.946
  386    H    ASP  50           H        ASP  50 -10.736  -6.329  -0.380
  387    HA   ASP  50           HA       ASP  50 -12.033  -8.852  -0.343
  388    HB2  ASP  50           HB3      ASP  50 -12.616  -6.913  -1.820
  389    HB3  ASP  50           HB2      ASP  50 -11.196  -7.298  -2.791
  390    H    ARG  51           H        ARG  51  -8.893  -7.913  -1.706
  391    HA   ARG  51           HA       ARG  51  -8.376 -10.329  -3.102
  392    HB2  ARG  51           HB3      ARG  51  -6.481  -8.357  -1.835
  393    HB3  ARG  51           HB2      ARG  51  -5.979  -9.654  -2.912
  394    HG2  ARG  51           HG3      ARG  51  -7.564  -8.740  -4.639
  395    HG3  ARG  51           HG2      ARG  51  -7.843  -7.365  -3.570
  396    HD2  ARG  51           HD3      ARG  51  -5.188  -8.203  -4.766
  397    HD3  ARG  51           HD2      ARG  51  -6.125  -6.771  -5.194
  398    HE   ARG  51           HE       ARG  51  -5.744  -6.341  -2.551
  399   HH11  ARG  51          HH22      ARG  51  -3.637  -7.450  -5.052
  400   HH12  ARG  51          HH21      ARG  51  -2.211  -6.800  -4.317
  401   HH21  ARG  51          HH11      ARG  51  -3.891  -5.488  -1.586
  402   HH22  ARG  51          HH12      ARG  51  -2.354  -5.688  -2.357
  403    H    PHE  52           H        PHE  52  -7.748  -9.486   0.314
  404    HA   PHE  52           HA       PHE  52  -6.571 -12.183   0.681
  405    HB2  PHE  52           HB3      PHE  52  -6.737  -9.760   2.490
  406    HB3  PHE  52           HB2      PHE  52  -6.047 -11.305   2.977
  407    HD1  PHE  52           HD2      PHE  52  -3.974 -12.147   1.971
  408    HD2  PHE  52           HD1      PHE  52  -5.625  -8.346   0.841
  409    HE1  PHE  52           HE2      PHE  52  -1.835 -11.545   0.871
  410    HE2  PHE  52           HE1      PHE  52  -3.485  -7.744  -0.260
  411    HZ   PHE  52           HZ       PHE  52  -1.590  -9.345  -0.245
  412    H    GLY  53           H        GLY  53  -9.565 -10.605   1.003
  413    HA2  GLY  53           HA3      GLY  53 -11.611 -11.455   1.792
  414    HA3  GLY  53           HA2      GLY  53 -10.780 -12.973   2.144
  415    H    ILE  54           H        ILE  54  -9.672  -9.875   3.369
  416    HA   ILE  54           HA       ILE  54 -10.219 -10.893   6.112
  417    HB   ILE  54           HB       ILE  54  -8.530  -9.224   6.820
  418   HG12  ILE  54          HG13      ILE  54  -8.297  -8.676   3.844
  419   HG13  ILE  54          HG12      ILE  54  -9.010  -7.575   5.022
  420   HG21  ILE  54          HG21      ILE  54  -7.159 -10.980   6.477
  421   HG22  ILE  54          HG22      ILE  54  -6.807 -10.314   4.882
  422   HG23  ILE  54          HG23      ILE  54  -8.096 -11.501   5.076
  423   HD11  ILE  54          HD11      ILE  54  -6.291  -7.771   4.307
  424   HD12  ILE  54          HD12      ILE  54  -6.410  -8.446   5.931
  425   HD13  ILE  54          HD13      ILE  54  -6.982  -6.807   5.612
  426    H    ALA  55           H        ALA  55 -11.282  -9.548   7.651
  427    HA   ALA  55           HA       ALA  55 -13.092  -7.563   6.424
  428    HB1  ALA  55           HB1      ALA  55 -13.403  -7.795   9.279
  429    HB2  ALA  55           HB2      ALA  55 -13.287  -9.405   8.569
  430    HB3  ALA  55           HB3      ALA  55 -14.523  -8.280   8.005
  431    H    ALA  56           H        ALA  56 -12.315  -5.517   6.269
  432    HA   ALA  56           HA       ALA  56 -10.157  -4.505   7.887
  433    HB1  ALA  56           HB1      ALA  56 -11.909  -3.504   5.744
  434    HB2  ALA  56           HB2      ALA  56 -10.194  -3.200   6.029
  435    HB3  ALA  56           HB3      ALA  56 -11.413  -2.265   6.897
  436    H    ASP  57           H        ASP  57 -13.636  -4.527   8.227
  437    HA   ASP  57           HA       ASP  57 -14.017  -2.396  10.024
  438    HB2  ASP  57           HB3      ASP  57 -15.373  -5.088   9.870
  439    HB3  ASP  57           HB2      ASP  57 -15.947  -3.764  10.877
  440    H    ASP  58           H        ASP  58 -12.810  -5.665  10.626
  441    HA   ASP  58           HA       ASP  58 -12.927  -5.686  13.442
  442    HB2  ASP  58           HB3      ASP  58 -10.866  -6.868  11.578
  443    HB3  ASP  58           HB2      ASP  58 -10.946  -7.230  13.301
  444    H    VAL  59           H        VAL  59 -10.512  -4.232  11.296
  445    HA   VAL  59           HA       VAL  59  -9.368  -2.850  13.691
  446    HB   VAL  59           HB       VAL  59  -7.872  -3.696  11.205
  447   HG11  VAL  59          HG11      VAL  59  -6.246  -3.130  13.502
  448   HG12  VAL  59          HG12      VAL  59  -7.321  -1.763  13.212
  449   HG13  VAL  59          HG13      VAL  59  -6.245  -2.325  11.934
  450   HG21  VAL  59          HG21      VAL  59  -6.710  -5.182  13.012
  451   HG22  VAL  59          HG22      VAL  59  -8.256  -5.713  12.350
  452   HG23  VAL  59          HG23      VAL  59  -8.194  -4.932  13.931
  453    H    GLU  60           H        GLU  60  -9.207  -0.630  13.513
  454    HA   GLU  60           HA       GLU  60 -10.349   0.584  11.074
  455    HB2  GLU  60           HB3      GLU  60 -11.047   1.341  13.360
  456    HB3  GLU  60           HB2      GLU  60  -9.410   1.927  13.625
  457    HG2  GLU  60           HG3      GLU  60  -9.643   3.372  11.617
  458    HG3  GLU  60           HG2      GLU  60 -11.315   2.844  11.468
  459    H    LEU  61           H        LEU  61  -9.109   1.568   9.531
  460    HA   LEU  61           HA       LEU  61  -6.189   1.694  10.004
  461    HB2  LEU  61           HB3      LEU  61  -7.734   2.013   7.418
  462    HB3  LEU  61           HB2      LEU  61  -6.000   1.792   7.590
  463    HG   LEU  61           HG       LEU  61  -8.147  -0.202   8.308
  464   HD11  LEU  61          HD11      LEU  61  -7.559   0.023   5.890
  465   HD12  LEU  61          HD12      LEU  61  -7.136  -1.556   6.553
  466   HD13  LEU  61          HD13      LEU  61  -5.883  -0.340   6.299
  467   HD21  LEU  61          HD21      LEU  61  -5.199  -0.090   8.898
  468   HD22  LEU  61          HD22      LEU  61  -5.993  -1.647   8.672
  469   HD23  LEU  61          HD23      LEU  61  -6.523  -0.569   9.961
  470    H    SER  62           H        SER  62  -5.062   3.638   9.835
  471    HA   SER  62           HA       SER  62  -6.745   6.091   9.648
  472    HB2  SER  62           HB3      SER  62  -5.725   6.600  11.601
  473    HB3  SER  62           HB2      SER  62  -4.591   5.264  11.427
  474    HG   SER  62           HG       SER  62  -4.342   7.590   9.855
  475    HA   PRO  63           HA       PRO  63  -4.802   7.391   5.932
  476    HB2  PRO  63           HB2      PRO  63  -4.007   9.988   6.663
  477    HB3  PRO  63           HB3      PRO  63  -5.580   9.529   5.991
  478    HG2  PRO  63           HG3      PRO  63  -4.802  10.056   8.797
  479    HG3  PRO  63           HG2      PRO  63  -6.348  10.332   7.976
  480    HD2  PRO  63           HD3      PRO  63  -5.985   8.276   9.711
  481    HD3  PRO  63           HD2      PRO  63  -7.069   8.149   8.307
  482    H    GLU  64           H        GLU  64  -3.031   7.685   8.934
  483    HA   GLU  64           HA       GLU  64  -0.465   8.310   7.796
  484    HB2  GLU  64           HB3      GLU  64  -1.197   6.956  10.397
  485    HB3  GLU  64           HB2      GLU  64   0.404   7.550   9.993
  486    HG2  GLU  64           HG3      GLU  64  -0.543   9.823   9.710
  487    HG3  GLU  64           HG2      GLU  64  -2.110   9.205  10.217
  488    H    HIS  65           H        HIS  65  -2.284   5.370   8.286
  489    HA   HIS  65           HA       HIS  65  -0.098   3.547   7.963
  490    HB2  HIS  65           HB3      HIS  65  -2.021   2.534   8.820
  491    HB3  HIS  65           HB2      HIS  65  -3.079   3.344   7.664
  492    HD1  HIS  65           HD1      HIS  65  -4.011   1.615   6.132
  493    HD2  HIS  65           HD2      HIS  65   0.012   0.908   6.975
  494    HE1  HIS  65           HE1      HIS  65  -3.327  -0.392   4.741
  495    HE2  HIS  65           HE2      HIS  65  -0.879  -0.821   5.242
  496    H    PHE  66           H        PHE  66  -1.784   5.586   5.798
  497    HA   PHE  66           HA       PHE  66  -0.938   4.038   3.421
  498    HB2  PHE  66           HB3      PHE  66  -2.442   6.667   3.559
  499    HB3  PHE  66           HB2      PHE  66  -2.259   5.625   2.148
  500    HD1  PHE  66           HD1      PHE  66  -3.515   5.541   5.681
  501    HD2  PHE  66           HD2      PHE  66  -3.897   4.018   1.682
  502    HE1  PHE  66           HE1      PHE  66  -5.531   4.269   6.361
  503    HE2  PHE  66           HE2      PHE  66  -5.913   2.747   2.364
  504    HZ   PHE  66           HZ       PHE  66  -6.728   2.876   4.701
  505    H    ARG  67           H        ARG  67   0.673   5.754   5.463
  506    HA   ARG  67           HA       ARG  67   1.794   8.035   4.412
  507    HB2  ARG  67           HB3      ARG  67   3.870   7.364   5.575
  508    HB3  ARG  67           HB2      ARG  67   2.450   7.028   6.560
  509    HG2  ARG  67           HG3      ARG  67   2.658   4.705   5.150
  510    HG3  ARG  67           HG2      ARG  67   4.355   5.155   5.301
  511    HD2  ARG  67           HD3      ARG  67   3.726   5.594   7.813
  512    HD3  ARG  67           HD2      ARG  67   2.361   4.538   7.459
  513    HE   ARG  67           HE       ARG  67   4.918   3.419   6.611
  514   HH11  ARG  67          HH22      ARG  67   2.653   3.884   9.170
  515   HH12  ARG  67          HH21      ARG  67   3.157   2.479  10.049
  516   HH21  ARG  67          HH11      ARG  67   5.588   1.583   7.745
  517   HH22  ARG  67          HH12      ARG  67   4.819   1.176   9.242
  518    H    SER  68           H        SER  68   2.529   4.690   3.393
  519    HA   SER  68           HA       SER  68   3.534   5.756   0.847
  520    HB2  SER  68           HB3      SER  68   5.726   4.636   1.042
  521    HB3  SER  68           HB2      SER  68   5.528   5.879   2.274
  522    HG   SER  68           HG       SER  68   5.557   4.387   3.761
  523    H    ILE  69           H        ILE  69   3.968   3.991  -0.721
  524    HA   ILE  69           HA       ILE  69   1.940   2.009  -0.719
  525    HB   ILE  69           HB       ILE  69   4.561   1.971  -2.246
  526   HG12  ILE  69          HG13      ILE  69   3.521   4.111  -2.612
  527   HG13  ILE  69          HG12      ILE  69   3.195   3.121  -4.029
  528   HG21  ILE  69          HG21      ILE  69   2.069   0.413  -2.324
  529   HG22  ILE  69          HG22      ILE  69   3.673   0.007  -2.929
  530   HG23  ILE  69          HG23      ILE  69   2.599   1.026  -3.887
  531   HD11  ILE  69          HD11      ILE  69   1.091   4.029  -3.560
  532   HD12  ILE  69          HD12      ILE  69   1.324   3.923  -1.815
  533   HD13  ILE  69          HD13      ILE  69   1.012   2.463  -2.756
  534    H    ARG  70           H        ARG  70   5.416   1.762   0.053
  535    HA   ARG  70           HA       ARG  70   5.486  -1.044   0.445
  536    HB2  ARG  70           HB3      ARG  70   7.432  -0.485   2.016
  537    HB3  ARG  70           HB2      ARG  70   7.571   0.107   0.363
  538    HG2  ARG  70           HG3      ARG  70   6.148   2.017   1.998
  539    HG3  ARG  70           HG2      ARG  70   7.708   1.635   2.722
  540    HD2  ARG  70           HD3      ARG  70   7.388   2.319  -0.204
  541    HD3  ARG  70           HD2      ARG  70   7.719   3.539   1.024
  542    HE   ARG  70           HE       ARG  70   9.609   1.512   0.050
  543   HH11  ARG  70          HH22      ARG  70   8.701   3.786   2.475
  544   HH12  ARG  70          HH21      ARG  70  10.310   3.977   3.087
  545   HH21  ARG  70          HH11      ARG  70  11.716   1.748   0.834
  546   HH22  ARG  70          HH12      ARG  70  12.017   2.822   2.158
  547    H    SER  71           H        SER  71   4.615   1.566   2.688
  548    HA   SER  71           HA       SER  71   4.371  -0.072   5.018
  549    HB2  SER  71           HB3      SER  71   4.390   2.443   5.000
  550    HB3  SER  71           HB2      SER  71   2.755   2.403   4.346
  551    HG   SER  71           HG       SER  71   2.007   1.682   6.221
  552    H    ILE  72           H        ILE  72   2.042   0.780   2.463
  553    HA   ILE  72           HA       ILE  72  -0.239  -0.428   3.650
  554    HB   ILE  72           HB       ILE  72   0.468  -0.103   0.721
  555   HG12  ILE  72          HG13      ILE  72  -1.195   1.652   2.558
  556   HG13  ILE  72          HG12      ILE  72   0.473   1.998   2.097
  557   HG21  ILE  72          HG21      ILE  72  -1.747  -1.360   2.059
  558   HG22  ILE  72          HG22      ILE  72  -1.453  -1.192   0.329
  559   HG23  ILE  72          HG23      ILE  72  -2.312   0.074   1.204
  560   HD11  ILE  72          HD11      ILE  72  -0.151   2.776   0.069
  561   HD12  ILE  72          HD12      ILE  72  -1.800   2.784   0.695
  562   HD13  ILE  72          HD13      ILE  72  -1.208   1.393  -0.216
  563    H    ASP  73           H        ASP  73   2.073  -1.758   1.263
  564    HA   ASP  73           HA       ASP  73   0.915  -4.348   1.101
  565    HB2  ASP  73           HB3      ASP  73   2.800  -3.320  -0.329
  566    HB3  ASP  73           HB2      ASP  73   3.887  -3.828   0.961
  567    H    ALA  74           H        ALA  74   3.349  -3.018   3.304
  568    HA   ALA  74           HA       ALA  74   3.901  -5.472   4.676
  569    HB1  ALA  74           HB1      ALA  74   4.115  -3.000   6.262
  570    HB2  ALA  74           HB2      ALA  74   4.950  -2.939   4.709
  571    HB3  ALA  74           HB3      ALA  74   5.350  -4.200   5.875
  572    H    PHE  75           H        PHE  75   1.506  -2.913   5.223
  573    HA   PHE  75           HA       PHE  75   0.616  -3.820   7.775
  574    HB2  PHE  75           HB3      PHE  75  -0.007  -1.631   6.747
  575    HB3  PHE  75           HB2      PHE  75  -1.054  -2.503   5.631
  576    HD1  PHE  75           HD2      PHE  75  -0.521  -1.556   9.158
  577    HD2  PHE  75           HD1      PHE  75  -3.124  -3.530   6.368
  578    HE1  PHE  75           HE2      PHE  75  -2.318  -1.603  10.867
  579    HE2  PHE  75           HE1      PHE  75  -4.920  -3.578   8.077
  580    HZ   PHE  75           HZ       PHE  75  -4.518  -2.614  10.326
  581    H    VAL  76           H        VAL  76  -0.614  -4.597   4.501
  582    HA   VAL  76           HA       VAL  76  -2.637  -6.403   5.408
  583    HB   VAL  76           HB       VAL  76  -1.131  -6.255   2.783
  584   HG11  VAL  76          HG11      VAL  76  -2.126  -8.220   2.331
  585   HG12  VAL  76          HG12      VAL  76  -3.662  -7.354   2.381
  586   HG13  VAL  76          HG13      VAL  76  -3.059  -8.165   3.825
  587   HG21  VAL  76          HG21      VAL  76  -2.325  -4.248   2.973
  588   HG22  VAL  76          HG22      VAL  76  -3.628  -4.997   3.896
  589   HG23  VAL  76          HG23      VAL  76  -3.493  -5.290   2.162
  590    H    VAL  77           H        VAL  77   0.695  -6.993   4.224
  591    HA   VAL  77           HA       VAL  77   0.575  -9.836   4.679
  592    HB   VAL  77           HB       VAL  77   2.885  -7.898   4.381
  593   HG11  VAL  77          HG11      VAL  77   2.803 -10.722   5.162
  594   HG12  VAL  77          HG12      VAL  77   4.130  -9.566   5.262
  595   HG13  VAL  77          HG13      VAL  77   3.816 -10.418   3.751
  596   HG21  VAL  77          HG21      VAL  77   2.917  -8.538   2.125
  597   HG22  VAL  77          HG22      VAL  77   1.188  -8.493   2.470
  598   HG23  VAL  77          HG23      VAL  77   2.041 -10.037   2.438
  599    H    GLY  78           H        GLY  78   1.692  -7.070   6.563
  600    HA2  GLY  78           HA3      GLY  78   2.909  -8.454   8.709
  601    HA3  GLY  78           HA2      GLY  78   2.190  -6.854   8.834
  602    H    ALA  79           H        ALA  79  -0.487  -7.687   8.091
  603    HA   ALA  79           HA       ALA  79  -1.436  -8.449  10.701
  604    HB1  ALA  79           HB1      ALA  79  -2.564  -7.504   8.225
  605    HB2  ALA  79           HB2      ALA  79  -3.250  -7.441   9.849
  606    HB3  ALA  79           HB3      ALA  79  -3.512  -8.860   8.834
  607    H    THR  80           H        THR  80  -1.183 -10.241   7.629
  608    HA   THR  80           HA       THR  80  -2.347 -12.638   8.839
  609    HB   THR  80           HB       THR  80  -1.955 -13.679   6.681
  610    HG1  THR  80           HG1      THR  80  -0.232 -13.090   5.669
  611   HG21  THR  80          HG21      THR  80  -3.280 -11.118   6.993
  612   HG22  THR  80          HG22      THR  80  -3.781 -12.523   6.053
  613   HG23  THR  80          HG23      THR  80  -2.699 -11.327   5.342
  614    H    THR  81           H        THR  81   0.843 -11.410   8.052
  615    HA   THR  81           HA       THR  81   2.002 -13.664   9.601
  616    HB   THR  81           HB       THR  81   3.978 -13.135   7.841
  617    HG1  THR  81           HG1      THR  81   1.632 -12.187   6.785
  618   HG21  THR  81          HG21      THR  81   3.035 -15.350   8.358
  619   HG22  THR  81          HG22      THR  81   3.218 -15.137   6.616
  620   HG23  THR  81          HG23      THR  81   1.627 -14.978   7.361
  621    HA   PRO  82           HA       PRO  82   4.135 -10.695  12.074
  622    HB2  PRO  82           HB2      PRO  82   6.689 -11.908  11.130
  623    HB3  PRO  82           HB3      PRO  82   6.139 -11.594  12.785
  624    HG2  PRO  82           HG3      PRO  82   6.125 -14.052  11.659
  625    HG3  PRO  82           HG2      PRO  82   4.986 -13.544  12.914
  626    HD2  PRO  82           HD3      PRO  82   4.475 -14.079  10.066
  627    HD3  PRO  82           HD2      PRO  82   3.322 -13.944  11.411
  628    HA   PRO  83           HA       PRO  83   5.112  -7.554   9.065
  629    HB2  PRO  83           HB2      PRO  83   6.622  -5.876  10.709
  630    HB3  PRO  83           HB3      PRO  83   4.865  -5.836  10.509
  631    HG2  PRO  83           HG3      PRO  83   6.490  -6.948  12.699
  632    HG3  PRO  83           HG2      PRO  83   4.844  -6.298  12.726
  633    HD2  PRO  83           HD3      PRO  83   5.433  -8.984  12.855
  634    HD3  PRO  83           HD2      PRO  83   3.894  -8.337  12.248
  635    H    VAL  84           H        VAL  84   6.747  -7.119   7.639
  636    HA   VAL  84           HA       VAL  84   9.404  -8.336   8.250
  637    HB   VAL  84           HB       VAL  84   8.196  -9.166   6.227
  638   HG11  VAL  84          HG11      VAL  84   7.228  -6.759   5.851
  639   HG12  VAL  84          HG12      VAL  84   7.610  -7.759   4.449
  640   HG13  VAL  84          HG13      VAL  84   8.725  -6.491   4.958
  641   HG21  VAL  84          HG21      VAL  84  10.854  -8.522   6.494
  642   HG22  VAL  84          HG22      VAL  84  10.433  -7.681   5.003
  643   HG23  VAL  84          HG23      VAL  84  10.178  -9.420   5.136
  644    H    GLU  85           H        GLU  85  11.135  -6.992   8.491
  645    HA   GLU  85           HA       GLU  85  12.168  -4.888   8.884
  646    HB2  GLU  85           HB3      GLU  85  11.402  -4.757   5.950
  647    HB3  GLU  85           HB2      GLU  85  12.624  -3.747   6.725
  648    HG2  GLU  85           HG3      GLU  85  13.872  -5.796   7.377
  649    HG3  GLU  85           HG2      GLU  85  12.677  -6.772   6.521
  650    H    ALA  86           H        ALA  86   9.425  -4.777   9.681
  651    HA   ALA  86           HA       ALA  86   7.852  -2.746   8.574
  652    HB1  ALA  86           HB1      ALA  86   7.520  -2.335  11.282
  653    HB2  ALA  86           HB2      ALA  86   8.138  -3.985  11.224
  654    HB3  ALA  86           HB3      ALA  86   6.676  -3.560  10.336
  655    H    LYS  87           H        LYS  87   7.793  -0.482   8.789
  656    HA   LYS  87           HA       LYS  87  10.261   0.900   8.959
  657    HB2  LYS  87           HB3      LYS  87   7.443   1.938   9.389
  658    HB3  LYS  87           HB2      LYS  87   8.861   2.958   9.144
  659    HG2  LYS  87           HG3      LYS  87   9.249   1.818   6.952
  660    HG3  LYS  87           HG2      LYS  87   7.744   0.926   7.189
  661    HD2  LYS  87           HD3      LYS  87   6.538   3.112   7.378
  662    HD3  LYS  87           HD2      LYS  87   8.046   3.936   6.982
  663    HE2  LYS  87           HE3      LYS  87   6.684   1.876   5.220
  664    HE3  LYS  87           HE2      LYS  87   6.600   3.621   4.980
  665    HZ1  LYS  87           HZ1      LYS  87   9.266   3.093   5.247
  666    HZ2  LYS  87           HZ2      LYS  87   8.447   3.398   3.794
  667    HZ3  LYS  87           HZ3      LYS  87   8.692   1.798   4.309
  668    H    LEU  88           H        LEU  88   7.852   0.161  11.437
  669    HA   LEU  88           HA       LEU  88   9.388   1.700  13.450
  670    HB2  LEU  88           HB3      LEU  88   6.865   0.050  13.795
  671    HB3  LEU  88           HB2      LEU  88   7.540   1.193  14.957
  672    HG   LEU  88           HG       LEU  88   6.478   1.859  12.197
  673   HD11  LEU  88          HD11      LEU  88   5.507   2.709  14.940
  674   HD12  LEU  88          HD12      LEU  88   4.793   1.393  14.008
  675   HD13  LEU  88          HD13      LEU  88   4.734   3.044  13.392
  676   HD21  LEU  88          HD21      LEU  88   8.194   3.417  12.485
  677   HD22  LEU  88          HD22      LEU  88   8.034   3.417  14.241
  678   HD23  LEU  88          HD23      LEU  88   6.840   4.251  13.247
  679    H    GLN  89           H        GLN  89  10.545   0.712  15.115
  680    HA   GLN  89           HA       GLN  89  11.573  -1.928  14.642
  681    HB2  GLN  89           HB3      GLN  89  11.673  -0.189  17.126
  682    HB3  GLN  89           HB2      GLN  89  12.619  -1.659  16.893
  683    HG2  GLN  89           HG3      GLN  89  13.699  -0.678  14.920
  684    HG3  GLN  89           HG2      GLN  89  12.726   0.783  15.097
  685   HE21  GLN  89          HE22      GLN  89  15.574   0.922  15.201
  686   HE22  GLN  89          HE21      GLN  89  16.040   1.331  16.782
  Start of MODEL   10
    1    H1   SER  -1           H1       SER  -1   7.520 -11.505  -4.362
    2    H2   SER  -1           H2       SER  -1   7.008 -12.498  -3.082
    3    H3   SER  -1           H3       SER  -1   8.282 -12.997  -4.091
    4    HA   SER  -1           HA       SER  -1   9.698 -12.123  -2.648
    5    HB2  SER  -1           HB3      SER  -1   9.497  -9.495  -2.491
    6    HB3  SER  -1           HB2      SER  -1   9.984 -10.253  -4.005
    7    HG   SER  -1           HG       SER  -1   8.325  -8.794  -4.404
    8    H    GLU   0           H        GLU   0   9.877 -10.642  -0.577
    9    HA   GLU   0           HA       GLU   0   8.023 -11.629   1.354
   10    HB2  GLU   0           HB3      GLU   0   9.915  -9.261   1.494
   11    HB3  GLU   0           HB2      GLU   0   9.075  -9.957   2.882
   12    HG2  GLU   0           HG3      GLU   0  10.155 -12.145   2.411
   13    HG3  GLU   0           HG2      GLU   0  11.039 -11.401   1.077
   14    H    MET   1           H        MET   1   8.110  -8.643  -0.527
   15    HA   MET   1           HA       MET   1   6.166  -7.152   0.902
   16    HB2  MET   1           HB3      MET   1   6.680  -7.260  -2.084
   17    HB3  MET   1           HB2      MET   1   5.756  -6.004  -1.260
   18    HG2  MET   1           HG3      MET   1   8.669  -6.667  -0.749
   19    HG3  MET   1           HG2      MET   1   8.077  -5.278  -1.656
   20    HE1  MET   1           HE1      MET   1   6.399  -3.004   0.678
   21    HE2  MET   1           HE2      MET   1   5.385  -4.415   0.348
   22    HE3  MET   1           HE3      MET   1   6.429  -3.762  -0.912
   23    H    GLN   2           H        GLN   2   5.828  -9.758  -1.441
   24    HA   GLN   2           HA       GLN   2   3.974 -11.210  -1.700
   25    HB2  GLN   2           HB3      GLN   2   3.307 -10.173   0.659
   26    HB3  GLN   2           HB2      GLN   2   2.112  -9.318  -0.317
   27    HG2  GLN   2           HG3      GLN   2   1.055 -11.343   0.377
   28    HG3  GLN   2           HG2      GLN   2   1.494 -11.581  -1.315
   29   HE21  GLN   2          HE22      GLN   2   2.121 -13.748  -1.479
   30   HE22  GLN   2          HE21      GLN   2   3.218 -14.517  -0.437
   31    H    HIS   3           H        HIS   3   4.560 -10.057  -3.850
   32    HA   HIS   3           HA       HIS   3   3.770  -9.197  -5.876
   33    HB2  HIS   3           HB3      HIS   3   1.020  -9.198  -4.615
   34    HB3  HIS   3           HB2      HIS   3   1.431  -9.333  -6.322
   35    HD1  HIS   3           HD1      HIS   3   3.030 -11.560  -6.854
   36    HD2  HIS   3           HD2      HIS   3   0.639 -11.668  -3.436
   37    HE1  HIS   3           HE1      HIS   3   2.828 -13.999  -6.194
   38    HE2  HIS   3           HE2      HIS   3   1.378 -14.075  -4.116
   39    H    ALA   4           H        ALA   4   4.839  -7.299  -4.172
   40    HA   ALA   4           HA       ALA   4   3.125  -5.092  -3.574
   41    HB1  ALA   4           HB1      ALA   4   5.053  -4.367  -2.676
   42    HB2  ALA   4           HB2      ALA   4   5.686  -4.092  -4.298
   43    HB3  ALA   4           HB3      ALA   4   5.938  -5.647  -3.508
   44    H    SER   5           H        SER   5   4.953  -5.954  -6.488
   45    HA   SER   5           HA       SER   5   4.525  -3.553  -7.945
   46    HB2  SER   5           HB3      SER   5   4.702  -6.366  -9.055
   47    HB3  SER   5           HB2      SER   5   5.010  -4.874  -9.938
   48    HG   SER   5           HG       SER   5   6.483  -4.768  -7.775
   49    H    VAL   6           H        VAL   6   2.475  -6.419  -7.554
   50    HA   VAL   6           HA       VAL   6   0.550  -5.746  -9.547
   51    HB   VAL   6           HB       VAL   6   0.309  -7.301  -6.974
   52   HG11  VAL   6          HG11      VAL   6  -1.905  -6.501  -7.414
   53   HG12  VAL   6          HG12      VAL   6  -1.847  -8.143  -8.056
   54   HG13  VAL   6          HG13      VAL   6  -1.724  -6.765  -9.149
   55   HG21  VAL   6          HG21      VAL   6   0.557  -8.028  -9.903
   56   HG22  VAL   6          HG22      VAL   6   0.120  -9.195  -8.655
   57   HG23  VAL   6          HG23      VAL   6   1.694  -8.401  -8.608
   58    H    ILE   7           H        ILE   7   0.695  -4.951  -6.089
   59    HA   ILE   7           HA       ILE   7  -1.772  -3.569  -5.932
   60    HB   ILE   7           HB       ILE   7   0.801  -3.040  -4.424
   61   HG12  ILE   7          HG13      ILE   7  -1.605  -4.713  -3.642
   62   HG13  ILE   7          HG12      ILE   7  -0.132  -5.389  -4.338
   63   HG21  ILE   7          HG21      ILE   7  -1.232  -2.423  -2.728
   64   HG22  ILE   7          HG22      ILE   7  -1.945  -1.936  -4.267
   65   HG23  ILE   7          HG23      ILE   7  -0.416  -1.233  -3.741
   66   HD11  ILE   7          HD11      ILE   7  -0.425  -5.230  -1.711
   67   HD12  ILE   7          HD12      ILE   7   0.111  -3.570  -1.974
   68   HD13  ILE   7          HD13      ILE   7   1.140  -4.917  -2.460
   69    H    ALA   8           H        ALA   8   1.501  -2.277  -6.557
   70    HA   ALA   8           HA       ALA   8   0.676   0.431  -6.909
   71    HB1  ALA   8           HB1      ALA   8   3.051  -0.552  -6.611
   72    HB2  ALA   8           HB2      ALA   8   2.861   0.837  -7.680
   73    HB3  ALA   8           HB3      ALA   8   3.019  -0.783  -8.359
   74    H    GLN   9           H        GLN   9   1.138  -2.171  -9.328
   75    HA   GLN   9           HA       GLN   9   0.547  -0.469 -11.571
   76    HB2  GLN   9           HB3      GLN   9   0.394  -3.477 -11.270
   77    HB3  GLN   9           HB2      GLN   9   0.239  -2.621 -12.804
   78    HG2  GLN   9           HG3      GLN   9   2.484  -1.611 -12.438
   79    HG3  GLN   9           HG2      GLN   9   2.642  -2.555 -10.957
   80   HE21  GLN   9          HE22      GLN   9   3.127  -4.813 -11.152
   81   HE22  GLN   9          HE21      GLN   9   3.444  -5.560 -12.644
   82    H    PHE  10           H        PHE  10  -1.504  -2.770  -9.758
   83    HA   PHE  10           HA       PHE  10  -3.825  -2.243 -11.384
   84    HB2  PHE  10           HB3      PHE  10  -4.517  -4.067 -10.284
   85    HB3  PHE  10           HB2      PHE  10  -3.158  -3.940  -9.173
   86    HD1  PHE  10           HD1      PHE  10  -3.359  -2.512  -7.126
   87    HD2  PHE  10           HD2      PHE  10  -6.720  -3.390  -9.641
   88    HE1  PHE  10           HE1      PHE  10  -4.889  -1.852  -5.300
   89    HE2  PHE  10           HE2      PHE  10  -8.260  -2.720  -7.816
   90    HZ   PHE  10           HZ       PHE  10  -7.345  -1.951  -5.642
   91    H    VAL  11           H        VAL  11  -2.843  -1.020  -8.172
   92    HA   VAL  11           HA       VAL  11  -5.147   0.616  -7.779
   93    HB   VAL  11           HB       VAL  11  -3.309   0.017  -6.082
   94   HG11  VAL  11          HG11      VAL  11  -1.397   1.445  -5.951
   95   HG12  VAL  11          HG12      VAL  11  -2.036   2.531  -7.186
   96   HG13  VAL  11          HG13      VAL  11  -1.489   0.914  -7.628
   97   HG21  VAL  11          HG21      VAL  11  -5.138   1.544  -5.536
   98   HG22  VAL  11          HG22      VAL  11  -4.308   2.871  -6.347
   99   HG23  VAL  11          HG23      VAL  11  -3.635   2.181  -4.871
  100    H    VAL  12           H        VAL  12  -2.064   1.265  -9.423
  101    HA   VAL  12           HA       VAL  12  -2.508   4.052  -9.877
  102    HB   VAL  12           HB       VAL  12  -0.912   2.001 -11.411
  103   HG11  VAL  12          HG11      VAL  12  -1.395   3.703 -13.009
  104   HG12  VAL  12          HG12      VAL  12   0.200   4.104 -12.372
  105   HG13  VAL  12          HG13      VAL  12  -1.221   4.981 -11.807
  106   HG21  VAL  12          HG21      VAL  12   0.228   4.298  -9.870
  107   HG22  VAL  12          HG22      VAL  12   0.894   2.686 -10.130
  108   HG23  VAL  12          HG23      VAL  12  -0.406   2.925  -8.963
  109    H    GLU  13           H        GLU  13  -3.329   1.188 -11.844
  110    HA   GLU  13           HA       GLU  13  -4.394   2.654 -14.042
  111    HB2  GLU  13           HB3      GLU  13  -4.972  -0.121 -13.018
  112    HB3  GLU  13           HB2      GLU  13  -5.625   0.509 -14.523
  113    HG2  GLU  13           HG3      GLU  13  -3.332   0.943 -15.333
  114    HG3  GLU  13           HG2      GLU  13  -2.694   0.264 -13.840
  115    H    GLU  14           H        GLU  14  -5.899   1.464 -11.056
  116    HA   GLU  14           HA       GLU  14  -8.580   2.216 -11.820
  117    HB2  GLU  14           HB3      GLU  14  -8.049   0.576 -10.014
  118    HB3  GLU  14           HB2      GLU  14  -7.434   1.905  -9.030
  119    HG2  GLU  14           HG3      GLU  14  -9.662   3.011  -9.185
  120    HG3  GLU  14           HG2      GLU  14 -10.265   1.616 -10.079
  121    H    PHE  15           H        PHE  15  -6.038   3.838  -9.932
  122    HA   PHE  15           HA       PHE  15  -7.735   6.191  -9.508
  123    HB2  PHE  15           HB3      PHE  15  -6.066   5.440  -7.815
  124    HB3  PHE  15           HB2      PHE  15  -4.778   5.824  -8.956
  125    HD1  PHE  15           HD1      PHE  15  -7.656   7.302  -7.098
  126    HD2  PHE  15           HD2      PHE  15  -3.989   8.041  -9.207
  127    HE1  PHE  15           HE1      PHE  15  -7.716   9.674  -6.372
  128    HE2  PHE  15           HE2      PHE  15  -4.050  10.413  -8.485
  129    HZ   PHE  15           HZ       PHE  15  -5.913  11.229  -7.067
  130    H    LEU  16           H        LEU  16  -4.678   5.577 -11.279
  131    HA   LEU  16           HA       LEU  16  -5.366   7.924 -13.000
  132    HB2  LEU  16           HB3      LEU  16  -2.857   7.122 -11.636
  133    HB3  LEU  16           HB2      LEU  16  -2.699   7.772 -13.265
  134    HG   LEU  16           HG       LEU  16  -4.371   9.143 -11.164
  135   HD11  LEU  16          HD11      LEU  16  -2.380   9.423 -10.066
  136   HD12  LEU  16          HD12      LEU  16  -2.132  10.667 -11.290
  137   HD13  LEU  16          HD13      LEU  16  -1.422   9.066 -11.502
  138   HD21  LEU  16          HD21      LEU  16  -2.992  10.756 -13.164
  139   HD22  LEU  16          HD22      LEU  16  -4.712  10.685 -12.782
  140   HD23  LEU  16          HD23      LEU  16  -4.011   9.527 -13.912
  141    HA   PRO  17           HA       PRO  17  -5.032   4.095 -15.643
  142    HB2  PRO  17           HB2      PRO  17  -7.059   4.856 -17.363
  143    HB3  PRO  17           HB3      PRO  17  -7.274   3.826 -15.939
  144    HG2  PRO  17           HG3      PRO  17  -7.906   6.684 -16.314
  145    HG3  PRO  17           HG2      PRO  17  -8.691   5.473 -15.292
  146    HD2  PRO  17           HD3      PRO  17  -6.997   7.429 -14.354
  147    HD3  PRO  17           HD2      PRO  17  -7.310   5.901 -13.514
  148    H    ASP  18           H        ASP  18  -4.838   7.489 -16.218
  149    HA   ASP  18           HA       ASP  18  -3.884   7.103 -18.989
  150    HB2  ASP  18           HB3      ASP  18  -4.400   9.566 -17.324
  151    HB3  ASP  18           HB2      ASP  18  -3.764   9.613 -18.962
  152    H    VAL  19           H        VAL  19  -2.476   6.657 -16.107
  153    HA   VAL  19           HA       VAL  19   0.111   7.894 -16.984
  154    HB   VAL  19           HB       VAL  19  -0.693   7.199 -14.149
  155   HG11  VAL  19          HG11      VAL  19   1.279   8.413 -13.520
  156   HG12  VAL  19          HG12      VAL  19   1.520   8.994 -15.168
  157   HG13  VAL  19          HG13      VAL  19   1.762   7.288 -14.789
  158   HG21  VAL  19          HG21      VAL  19  -0.631   9.918 -15.495
  159   HG22  VAL  19          HG22      VAL  19  -1.080   9.586 -13.822
  160   HG23  VAL  19          HG23      VAL  19  -2.105   9.018 -15.140
  161    H    ALA  20           H        ALA  20   1.840   6.522 -17.197
  162    HA   ALA  20           HA       ALA  20   1.350   3.656 -17.083
  163    HB1  ALA  20           HB1      ALA  20   3.332   3.442 -18.243
  164    HB2  ALA  20           HB2      ALA  20   4.111   4.754 -17.358
  165    HB3  ALA  20           HB3      ALA  20   2.951   5.119 -18.635
  166    HA   PRO  21           HA       PRO  21   2.378   3.477 -12.652
  167    HB2  PRO  21           HB2      PRO  21   2.913   0.625 -13.310
  168    HB3  PRO  21           HB3      PRO  21   1.891   1.317 -12.038
  169    HG2  PRO  21           HG3      PRO  21   0.880   0.202 -14.259
  170    HG3  PRO  21           HG2      PRO  21   0.094   1.545 -13.414
  171    HD2  PRO  21           HD3      PRO  21   1.535   1.554 -16.009
  172    HD3  PRO  21           HD2      PRO  21   0.271   2.649 -15.406
  173    H    ALA  22           H        ALA  22   4.380   2.289 -15.279
  174    HA   ALA  22           HA       ALA  22   6.727   1.693 -13.748
  175    HB1  ALA  22           HB1      ALA  22   6.165   1.187 -16.254
  176    HB2  ALA  22           HB2      ALA  22   7.838   1.515 -15.802
  177    HB3  ALA  22           HB3      ALA  22   6.862   2.780 -16.549
  178    H    ASP  23           H        ASP  23   5.356   4.699 -14.906
  179    HA   ASP  23           HA       ASP  23   7.836   6.183 -14.345
  180    HB2  ASP  23           HB3      ASP  23   6.602   8.148 -15.094
  181    HB3  ASP  23           HB2      ASP  23   6.349   6.832 -16.239
  182    H    VAL  24           H        VAL  24   5.720   4.801 -12.348
  183    HA   VAL  24           HA       VAL  24   5.590   7.138 -10.476
  184    HB   VAL  24           HB       VAL  24   4.071   4.531 -10.256
  185   HG11  VAL  24          HG11      VAL  24   4.157   5.695  -8.169
  186   HG12  VAL  24          HG12      VAL  24   2.574   6.053  -8.860
  187   HG13  VAL  24          HG13      VAL  24   3.865   7.250  -8.947
  188   HG21  VAL  24          HG21      VAL  24   3.336   5.515 -12.319
  189   HG22  VAL  24          HG22      VAL  24   3.336   7.134 -11.623
  190   HG23  VAL  24          HG23      VAL  24   2.129   5.955 -11.112
  191    H    ASP  25           H        ASP  25   6.805   7.030  -8.623
  192    HA   ASP  25           HA       ASP  25   8.437   4.603  -8.210
  193    HB2  ASP  25           HB3      ASP  25   9.438   6.905  -8.071
  194    HB3  ASP  25           HB2      ASP  25   8.438   7.204  -6.648
  195    H    VAL  26           H        VAL  26   7.662   3.023  -6.889
  196    HA   VAL  26           HA       VAL  26   5.372   3.473  -5.166
  197    HB   VAL  26           HB       VAL  26   5.563   1.301  -6.129
  198   HG11  VAL  26          HG11      VAL  26   7.892   0.144  -5.098
  199   HG12  VAL  26          HG12      VAL  26   8.394   1.753  -5.618
  200   HG13  VAL  26          HG13      VAL  26   7.628   0.655  -6.766
  201   HG21  VAL  26          HG21      VAL  26   5.097   1.530  -3.560
  202   HG22  VAL  26          HG22      VAL  26   6.679   0.770  -3.390
  203   HG23  VAL  26          HG23      VAL  26   5.384  -0.070  -4.242
  204    H    ASP  27           H        ASP  27   8.438   4.492  -4.826
  205    HA   ASP  27           HA       ASP  27   8.689   3.825  -1.946
  206    HB2  ASP  27           HB3      ASP  27  10.562   5.171  -3.913
  207    HB3  ASP  27           HB2      ASP  27  10.918   4.966  -2.202
  208    H    LEU  28           H        LEU  28   7.081   6.043  -3.716
  209    HA   LEU  28           HA       LEU  28   7.772   8.368  -1.999
  210    HB2  LEU  28           HB3      LEU  28   7.560   8.692  -4.463
  211    HB3  LEU  28           HB2      LEU  28   5.873   8.200  -4.358
  212    HG   LEU  28           HG       LEU  28   5.512  10.064  -2.697
  213   HD11  LEU  28          HD11      LEU  28   7.590  10.641  -1.822
  214   HD12  LEU  28          HD12      LEU  28   7.384  11.899  -3.039
  215   HD13  LEU  28          HD13      LEU  28   8.402  10.501  -3.381
  216   HD21  LEU  28          HD21      LEU  28   5.467  11.827  -4.411
  217   HD22  LEU  28          HD22      LEU  28   4.942  10.291  -5.102
  218   HD23  LEU  28          HD23      LEU  28   6.570  10.891  -5.419
  219    H    ASP  29           H        ASP  29   6.402   9.059  -0.393
  220    HA   ASP  29           HA       ASP  29   4.301   7.327   0.499
  221    HB2  ASP  29           HB3      ASP  29   4.906  10.210   1.232
  222    HB3  ASP  29           HB2      ASP  29   3.783   9.163   2.102
  223    H    LEU  30           H        LEU  30   2.064   7.503   0.251
  224    HA   LEU  30           HA       LEU  30   1.100   8.824  -2.126
  225    HB2  LEU  30           HB3      LEU  30  -0.409   7.534   0.162
  226    HB3  LEU  30           HB2      LEU  30  -1.121   8.015  -1.378
  227    HG   LEU  30           HG       LEU  30   1.113   5.998  -1.028
  228   HD11  LEU  30          HD11      LEU  30  -0.567   4.545  -0.628
  229   HD12  LEU  30          HD12      LEU  30  -1.161   4.868  -2.257
  230   HD13  LEU  30          HD13      LEU  30  -1.775   5.801  -0.892
  231   HD21  LEU  30          HD21      LEU  30  -0.127   7.361  -3.370
  232   HD22  LEU  30          HD22      LEU  30   0.174   5.633  -3.536
  233   HD23  LEU  30          HD23      LEU  30   1.507   6.729  -3.176
  234    H    VAL  31           H        VAL  31   0.986   9.602   1.311
  235    HA   VAL  31           HA       VAL  31  -1.004  11.571   1.325
  236    HB   VAL  31           HB       VAL  31   0.155  12.488   3.265
  237   HG11  VAL  31          HG11      VAL  31  -0.333   9.652   2.832
  238   HG12  VAL  31          HG12      VAL  31  -0.716  10.647   4.238
  239   HG13  VAL  31          HG13      VAL  31   0.885   9.922   4.080
  240   HG21  VAL  31          HG21      VAL  31   2.411  12.661   2.642
  241   HG22  VAL  31          HG22      VAL  31   2.465  11.000   2.055
  242   HG23  VAL  31          HG23      VAL  31   2.430  11.321   3.789
  243    H    ASP  32           H        ASP  32   2.466  12.003   0.600
  244    HA   ASP  32           HA       ASP  32   2.324  14.806   0.086
  245    HB2  ASP  32           HB3      ASP  32   4.177  12.684  -1.042
  246    HB3  ASP  32           HB2      ASP  32   4.413  14.419  -1.259
  247    H    ASN  33           H        ASN  33   1.694  11.978  -1.898
  248    HA   ASN  33           HA       ASN  33   1.430  13.391  -4.395
  249    HB2  ASN  33           HB3      ASN  33   0.406  10.712  -3.454
  250    HB3  ASN  33           HB2      ASN  33   0.263  11.282  -5.109
  251   HD21  ASN  33          HD22      ASN  33   1.795   8.951  -4.510
  252   HD22  ASN  33          HD21      ASN  33   3.434   9.292  -4.788
  253    H    GLY  34           H        GLY  34  -0.813  12.546  -1.802
  254    HA2  GLY  34           HA3      GLY  34  -2.873  13.659  -1.330
  255    HA3  GLY  34           HA2      GLY  34  -2.753  14.483  -2.888
  256    H    VAL  35           H        VAL  35  -2.097  11.252  -3.340
  257    HA   VAL  35           HA       VAL  35  -4.434  10.756  -4.893
  258    HB   VAL  35           HB       VAL  35  -2.471   8.834  -3.610
  259   HG11  VAL  35          HG11      VAL  35  -3.372   7.291  -5.455
  260   HG12  VAL  35          HG12      VAL  35  -4.732   8.409  -5.572
  261   HG13  VAL  35          HG13      VAL  35  -4.424   7.549  -4.062
  262   HG21  VAL  35          HG21      VAL  35  -1.967  10.648  -5.549
  263   HG22  VAL  35          HG22      VAL  35  -2.598   9.335  -6.541
  264   HG23  VAL  35          HG23      VAL  35  -1.195   9.063  -5.507
  265    H    ILE  36           H        ILE  36  -3.653  10.135  -1.514
  266    HA   ILE  36           HA       ILE  36  -5.901   8.449  -0.949
  267    HB   ILE  36           HB       ILE  36  -4.296  10.273   0.862
  268   HG12  ILE  36          HG13      ILE  36  -4.172   7.278   0.429
  269   HG13  ILE  36          HG12      ILE  36  -3.072   8.437  -0.304
  270   HG21  ILE  36          HG21      ILE  36  -5.869   9.804   2.409
  271   HG22  ILE  36          HG22      ILE  36  -5.348   8.123   2.306
  272   HG23  ILE  36          HG23      ILE  36  -6.692   8.690   1.318
  273   HD11  ILE  36          HD11      ILE  36  -2.089   7.494   1.745
  274   HD12  ILE  36          HD12      ILE  36  -3.489   8.046   2.665
  275   HD13  ILE  36          HD13      ILE  36  -2.395   9.220   1.935
  276    H    ASP  37           H        ASP  37  -7.798   9.338  -1.758
  277    HA   ASP  37           HA       ASP  37  -8.630  11.995  -0.720
  278    HB2  ASP  37           HB3      ASP  37  -9.715  10.239  -2.945
  279    HB3  ASP  37           HB2      ASP  37 -10.463  11.746  -2.425
  280    H    ALA  38           H        ALA  38 -11.066  12.013  -0.105
  281    HA   ALA  38           HA       ALA  38 -11.528  10.227   2.046
  282    HB1  ALA  38           HB1      ALA  38 -13.046  11.910   2.293
  283    HB2  ALA  38           HB2      ALA  38 -14.077  10.921   1.259
  284    HB3  ALA  38           HB3      ALA  38 -13.113  12.221   0.557
  285    H    LEU  39           H        LEU  39 -12.777  10.183  -1.276
  286    HA   LEU  39           HA       LEU  39 -14.048   7.593  -0.993
  287    HB2  LEU  39           HB3      LEU  39 -13.228   9.208  -3.417
  288    HB3  LEU  39           HB2      LEU  39 -14.101   7.684  -3.516
  289    HG   LEU  39           HG       LEU  39 -15.861   8.696  -2.030
  290   HD11  LEU  39          HD11      LEU  39 -14.037  11.056  -2.373
  291   HD12  LEU  39          HD12      LEU  39 -14.877  10.499  -0.925
  292   HD13  LEU  39          HD13      LEU  39 -15.772  11.320  -2.203
  293   HD21  LEU  39          HD21      LEU  39 -16.547   8.673  -4.246
  294   HD22  LEU  39          HD22      LEU  39 -15.197   9.675  -4.780
  295   HD23  LEU  39          HD23      LEU  39 -16.560  10.408  -3.935
  296    H    GLY  40           H        GLY  40 -10.934   8.860  -1.912
  297    HA2  GLY  40           HA3      GLY  40  -9.785   6.564  -3.101
  298    HA3  GLY  40           HA2      GLY  40  -8.881   7.818  -2.249
  299    H    LEU  41           H        LEU  41  -9.816   7.608   0.311
  300    HA   LEU  41           HA       LEU  41  -8.416   5.341   1.331
  301    HB2  LEU  41           HB3      LEU  41  -8.830   7.477   2.572
  302    HB3  LEU  41           HB2      LEU  41 -10.525   7.017   2.720
  303    HG   LEU  41           HG       LEU  41  -8.589   4.948   3.572
  304   HD11  LEU  41          HD11      LEU  41  -8.485   6.241   5.847
  305   HD12  LEU  41          HD12      LEU  41  -8.781   7.665   4.850
  306   HD13  LEU  41          HD13      LEU  41  -7.351   6.673   4.567
  307   HD21  LEU  41          HD21      LEU  41 -11.020   4.694   3.842
  308   HD22  LEU  41          HD22      LEU  41 -11.087   6.190   4.772
  309   HD23  LEU  41          HD23      LEU  41 -10.247   4.784   5.424
  310    H    LEU  42           H        LEU  42 -11.865   5.980   0.785
  311    HA   LEU  42           HA       LEU  42 -12.893   3.622   2.003
  312    HB2  LEU  42           HB3      LEU  42 -14.315   5.495   1.235
  313    HB3  LEU  42           HB2      LEU  42 -13.914   5.111  -0.438
  314    HG   LEU  42           HG       LEU  42 -14.783   2.684   0.419
  315   HD11  LEU  42          HD11      LEU  42 -16.669   4.619   1.752
  316   HD12  LEU  42          HD12      LEU  42 -15.344   3.874   2.644
  317   HD13  LEU  42          HD13      LEU  42 -16.597   2.865   1.919
  318   HD21  LEU  42          HD21      LEU  42 -15.638   3.561  -1.584
  319   HD22  LEU  42          HD22      LEU  42 -16.216   5.032  -0.801
  320   HD23  LEU  42          HD23      LEU  42 -17.058   3.504  -0.538
  321    H    LYS  43           H        LYS  43 -11.862   4.225  -1.342
  322    HA   LYS  43           HA       LYS  43 -12.415   1.625  -2.338
  323    HB2  LYS  43           HB3      LYS  43 -10.347   3.659  -3.185
  324    HB3  LYS  43           HB2      LYS  43 -10.720   2.203  -4.098
  325    HG2  LYS  43           HG3      LYS  43 -13.103   2.938  -4.222
  326    HG3  LYS  43           HG2      LYS  43 -12.644   4.442  -3.423
  327    HD2  LYS  43           HD3      LYS  43 -11.022   4.886  -5.267
  328    HD3  LYS  43           HD2      LYS  43 -11.600   3.434  -6.086
  329    HE2  LYS  43           HE3      LYS  43 -12.772   5.337  -7.021
  330    HE3  LYS  43           HE2      LYS  43 -13.916   4.416  -6.045
  331    HZ1  LYS  43           HZ1      LYS  43 -13.014   7.092  -5.712
  332    HZ2  LYS  43           HZ2      LYS  43 -12.732   6.183  -4.308
  333    HZ3  LYS  43           HZ3      LYS  43 -14.302   6.288  -4.950
  334    H    VAL  44           H        VAL  44  -9.633   2.942  -0.620
  335    HA   VAL  44           HA       VAL  44  -7.812   0.810  -1.064
  336    HB   VAL  44           HB       VAL  44  -8.122   2.675   1.295
  337   HG11  VAL  44          HG11      VAL  44  -6.082   0.554   0.642
  338   HG12  VAL  44          HG12      VAL  44  -6.876   0.885   2.183
  339   HG13  VAL  44          HG13      VAL  44  -5.627   1.976   1.581
  340   HG21  VAL  44          HG21      VAL  44  -5.944   2.720  -0.780
  341   HG22  VAL  44          HG22      VAL  44  -6.557   4.042   0.214
  342   HG23  VAL  44          HG23      VAL  44  -7.511   3.444  -1.144
  343    H    ILE  45           H        ILE  45 -10.168   1.295   1.560
  344    HA   ILE  45           HA       ILE  45  -9.550  -1.165   2.900
  345    HB   ILE  45           HB       ILE  45 -11.762   0.838   3.005
  346   HG12  ILE  45          HG13      ILE  45 -11.074   0.818   5.410
  347   HG13  ILE  45          HG12      ILE  45  -9.869  -0.409   5.024
  348   HG21  ILE  45          HG21      ILE  45 -11.863  -1.986   4.056
  349   HG22  ILE  45          HG22      ILE  45 -13.100  -1.098   3.166
  350   HG23  ILE  45          HG23      ILE  45 -12.752  -0.682   4.844
  351   HD11  ILE  45          HD11      ILE  45  -9.427   2.308   4.940
  352   HD12  ILE  45          HD12      ILE  45  -9.773   1.935   3.253
  353   HD13  ILE  45          HD13      ILE  45  -8.462   1.103   4.087
  354    H    ALA  46           H        ALA  46 -11.920  -0.366   0.369
  355    HA   ALA  46           HA       ALA  46 -13.370  -2.832   0.542
  356    HB1  ALA  46           HB1      ALA  46 -13.895  -2.182  -1.957
  357    HB2  ALA  46           HB2      ALA  46 -13.093  -0.675  -1.514
  358    HB3  ALA  46           HB3      ALA  46 -14.526  -1.204  -0.632
  359    H    TRP  47           H        TRP  47 -10.742  -1.880  -1.732
  360    HA   TRP  47           HA       TRP  47 -10.717  -4.564  -2.880
  361    HB2  TRP  47           HB3      TRP  47  -9.713  -3.427  -4.535
  362    HB3  TRP  47           HB2      TRP  47  -9.544  -2.011  -3.497
  363    HD1  TRP  47           HD1      TRP  47  -7.766  -5.424  -3.959
  364    HE1  TRP  47           HE1      TRP  47  -5.241  -5.060  -3.568
  365    HE3  TRP  47           HE3      TRP  47  -7.781  -0.477  -2.843
  366    HZ2  TRP  47           HZ2      TRP  47  -3.462  -2.921  -2.871
  367    HZ3  TRP  47           HZ3      TRP  47  -5.672   0.722  -2.317
  368    HH2  TRP  47           HH2      TRP  47  -3.511  -0.495  -2.332
  369    H    LEU  48           H        LEU  48  -8.634  -2.767  -0.630
  370    HA   LEU  48           HA       LEU  48  -6.617  -4.735  -0.358
  371    HB2  LEU  48           HB3      LEU  48  -6.413  -2.441   0.526
  372    HB3  LEU  48           HB2      LEU  48  -7.649  -2.795   1.730
  373    HG   LEU  48           HG       LEU  48  -5.405  -4.717   1.640
  374   HD11  LEU  48          HD11      LEU  48  -4.127  -2.979   3.153
  375   HD12  LEU  48          HD12      LEU  48  -5.041  -1.792   2.224
  376   HD13  LEU  48          HD13      LEU  48  -3.951  -2.907   1.401
  377   HD21  LEU  48          HD21      LEU  48  -5.856  -4.888   3.918
  378   HD22  LEU  48          HD22      LEU  48  -7.434  -4.374   3.329
  379   HD23  LEU  48          HD23      LEU  48  -6.338  -3.198   4.053
  380    H    GLU  49           H        GLU  49  -9.679  -4.350   1.433
  381    HA   GLU  49           HA       GLU  49  -9.143  -6.575   3.200
  382    HB2  GLU  49           HB3      GLU  49 -11.324  -6.197   4.026
  383    HB3  GLU  49           HB2      GLU  49 -10.764  -4.606   3.544
  384    HG2  GLU  49           HG3      GLU  49 -11.901  -4.959   1.342
  385    HG3  GLU  49           HG2      GLU  49 -12.584  -6.437   1.994
  386    H    ASP  50           H        ASP  50 -10.839  -6.198   0.121
  387    HA   ASP  50           HA       ASP  50 -12.087  -8.746   0.031
  388    HB2  ASP  50           HB3      ASP  50 -12.500  -6.827  -1.528
  389    HB3  ASP  50           HB2      ASP  50 -10.967  -7.208  -2.310
  390    H    ARG  51           H        ARG  51  -8.816  -7.778  -0.974
  391    HA   ARG  51           HA       ARG  51  -8.132 -10.214  -2.262
  392    HB2  ARG  51           HB3      ARG  51  -6.456  -8.102  -0.933
  393    HB3  ARG  51           HB2      ARG  51  -5.755  -9.476  -1.781
  394    HG2  ARG  51           HG3      ARG  51  -7.065  -8.852  -3.806
  395    HG3  ARG  51           HG2      ARG  51  -7.649  -7.428  -2.950
  396    HD2  ARG  51           HD3      ARG  51  -5.312  -6.654  -2.665
  397    HD3  ARG  51           HD2      ARG  51  -4.749  -8.063  -3.561
  398    HE   ARG  51           HE       ARG  51  -5.982  -5.681  -4.715
  399   HH11  ARG  51          HH22      ARG  51  -5.343  -9.055  -5.000
  400   HH12  ARG  51          HH21      ARG  51  -5.465  -9.068  -6.727
  401   HH21  ARG  51          HH11      ARG  51  -6.144  -5.676  -6.969
  402   HH22  ARG  51          HH12      ARG  51  -5.919  -7.155  -7.843
  403    H    PHE  52           H        PHE  52  -7.780  -9.325   1.195
  404    HA   PHE  52           HA       PHE  52  -6.612 -12.015   1.647
  405    HB2  PHE  52           HB3      PHE  52  -6.829  -9.554   3.394
  406    HB3  PHE  52           HB2      PHE  52  -6.211 -11.102   3.965
  407    HD1  PHE  52           HD2      PHE  52  -5.652  -8.325   1.584
  408    HD2  PHE  52           HD1      PHE  52  -4.057 -11.940   3.269
  409    HE1  PHE  52           HE2      PHE  52  -3.446  -7.828   0.563
  410    HE2  PHE  52           HE1      PHE  52  -1.853 -11.444   2.245
  411    HZ   PHE  52           HZ       PHE  52  -1.547  -9.389   0.892
  412    H    GLY  53           H        GLY  53  -9.642 -10.549   1.706
  413    HA2  GLY  53           HA3      GLY  53 -11.709 -11.405   2.421
  414    HA3  GLY  53           HA2      GLY  53 -10.862 -12.891   2.866
  415    H    ILE  54           H        ILE  54  -9.901  -9.747   4.069
  416    HA   ILE  54           HA       ILE  54 -10.668 -10.673   6.794
  417    HB   ILE  54           HB       ILE  54  -8.961  -9.075   7.590
  418   HG12  ILE  54          HG13      ILE  54  -8.536  -8.577   4.628
  419   HG13  ILE  54          HG12      ILE  54  -9.202  -7.419   5.780
  420   HG21  ILE  54          HG21      ILE  54  -8.299 -11.388   7.047
  421   HG22  ILE  54          HG22      ILE  54  -6.993 -10.262   6.681
  422   HG23  ILE  54          HG23      ILE  54  -7.990 -10.909   5.379
  423   HD11  ILE  54          HD11      ILE  54  -7.091  -7.502   7.070
  424   HD12  ILE  54          HD12      ILE  54  -6.811  -6.982   5.408
  425   HD13  ILE  54          HD13      ILE  54  -6.425  -8.634   5.892
  426    H    ALA  55           H        ALA  55 -11.672  -9.129   8.242
  427    HA   ALA  55           HA       ALA  55 -13.279  -7.112   6.764
  428    HB1  ALA  55           HB1      ALA  55 -14.943  -7.791   8.117
  429    HB2  ALA  55           HB2      ALA  55 -14.009  -7.303   9.530
  430    HB3  ALA  55           HB3      ALA  55 -13.840  -8.934   8.881
  431    H    ALA  56           H        ALA  56 -13.003  -4.945   7.107
  432    HA   ALA  56           HA       ALA  56 -10.670  -3.991   8.479
  433    HB1  ALA  56           HB1      ALA  56 -11.157  -2.225   7.172
  434    HB2  ALA  56           HB2      ALA  56 -12.521  -1.857   8.226
  435    HB3  ALA  56           HB3      ALA  56 -12.750  -2.894   6.818
  436    H    ASP  57           H        ASP  57 -14.019  -4.413   9.448
  437    HA   ASP  57           HA       ASP  57 -14.075  -2.768  11.741
  438    HB2  ASP  57           HB3      ASP  57 -15.424  -5.410  11.185
  439    HB3  ASP  57           HB2      ASP  57 -15.807  -4.391  12.568
  440    H    ASP  58           H        ASP  58 -12.727  -6.000  11.290
  441    HA   ASP  58           HA       ASP  58 -12.352  -6.746  13.975
  442    HB2  ASP  58           HB3      ASP  58 -10.609  -7.258  11.566
  443    HB3  ASP  58           HB2      ASP  58 -10.382  -8.056  13.121
  444    H    VAL  59           H        VAL  59 -10.329  -4.631  11.958
  445    HA   VAL  59           HA       VAL  59  -8.890  -3.823  14.446
  446    HB   VAL  59           HB       VAL  59  -6.884  -3.518  13.023
  447   HG11  VAL  59          HG11      VAL  59  -8.183  -6.245  13.089
  448   HG12  VAL  59          HG12      VAL  59  -6.999  -5.590  14.219
  449   HG13  VAL  59          HG13      VAL  59  -6.515  -6.001  12.574
  450   HG21  VAL  59          HG21      VAL  59  -7.258  -3.341  10.801
  451   HG22  VAL  59          HG22      VAL  59  -8.857  -4.072  10.949
  452   HG23  VAL  59          HG23      VAL  59  -7.430  -5.096  10.795
  453    H    GLU  60           H        GLU  60  -8.131  -1.575  14.407
  454    HA   GLU  60           HA       GLU  60  -9.920   0.132  12.761
  455    HB2  GLU  60           HB3      GLU  60  -9.792   0.484  15.240
  456    HB3  GLU  60           HB2      GLU  60  -8.099   0.924  15.051
  457    HG2  GLU  60           HG3      GLU  60  -8.784   2.729  13.487
  458    HG3  GLU  60           HG2      GLU  60 -10.467   2.325  13.804
  459    H    LEU  61           H        LEU  61  -9.112   1.257  11.041
  460    HA   LEU  61           HA       LEU  61  -6.176   1.201  10.624
  461    HB2  LEU  61           HB3      LEU  61  -8.399   1.891   8.682
  462    HB3  LEU  61           HB2      LEU  61  -6.705   1.642   8.289
  463    HG   LEU  61           HG       LEU  61  -8.594  -0.430   9.408
  464   HD11  LEU  61          HD11      LEU  61  -7.175  -0.951   6.894
  465   HD12  LEU  61          HD12      LEU  61  -8.270   0.427   6.800
  466   HD13  LEU  61          HD13      LEU  61  -8.883  -1.154   7.280
  467   HD21  LEU  61          HD21      LEU  61  -5.621  -0.361   8.996
  468   HD22  LEU  61          HD22      LEU  61  -6.484  -1.884   8.773
  469   HD23  LEU  61          HD23      LEU  61  -6.544  -1.055  10.330
  470    H    SER  62           H        SER  62  -5.005   3.092  10.590
  471    HA   SER  62           HA       SER  62  -6.529   5.625  10.977
  472    HB2  SER  62           HB3      SER  62  -5.168   5.835  12.772
  473    HB3  SER  62           HB2      SER  62  -4.158   4.493  12.245
  474    HG   SER  62           HG       SER  62  -3.048   6.517  12.267
  475    HA   PRO  63           HA       PRO  63  -5.124   7.209   7.122
  476    HB2  PRO  63           HB2      PRO  63  -4.165   9.718   7.930
  477    HB3  PRO  63           HB3      PRO  63  -5.843   9.339   7.505
  478    HG2  PRO  63           HG3      PRO  63  -4.575   9.595  10.170
  479    HG3  PRO  63           HG2      PRO  63  -6.224   9.987   9.655
  480    HD2  PRO  63           HD3      PRO  63  -5.658   7.767  11.113
  481    HD3  PRO  63           HD2      PRO  63  -6.970   7.802   9.913
  482    H    GLU  64           H        GLU  64  -2.935   7.206   9.845
  483    HA   GLU  64           HA       GLU  64  -0.537   7.887   8.404
  484    HB2  GLU  64           HB3      GLU  64  -0.915   6.312  10.957
  485    HB3  GLU  64           HB2      GLU  64   0.612   6.958  10.384
  486    HG2  GLU  64           HG3      GLU  64  -0.368   9.237  10.443
  487    HG3  GLU  64           HG2      GLU  64  -1.842   8.552  11.121
  488    H    HIS  65           H        HIS  65  -2.347   4.941   8.920
  489    HA   HIS  65           HA       HIS  65  -0.280   3.117   8.147
  490    HB2  HIS  65           HB3      HIS  65  -2.137   2.133   9.217
  491    HB3  HIS  65           HB2      HIS  65  -3.289   2.970   8.177
  492    HD1  HIS  65           HD1      HIS  65  -4.408   1.052   6.979
  493    HD2  HIS  65           HD2      HIS  65  -0.248   0.757   6.885
  494    HE1  HIS  65           HE1      HIS  65  -3.859  -0.870   5.420
  495    HE2  HIS  65           HE2      HIS  65  -1.332  -1.052   5.352
  496    H    PHE  66           H        PHE  66  -2.169   5.364   6.401
  497    HA   PHE  66           HA       PHE  66  -1.743   3.995   3.819
  498    HB2  PHE  66           HB3      PHE  66  -3.055   6.663   4.420
  499    HB3  PHE  66           HB2      PHE  66  -3.109   5.800   2.882
  500    HD1  PHE  66           HD2      PHE  66  -3.929   5.369   6.509
  501    HD2  PHE  66           HD1      PHE  66  -4.844   4.277   2.458
  502    HE1  PHE  66           HE2      PHE  66  -5.901   4.089   7.302
  503    HE2  PHE  66           HE1      PHE  66  -6.815   2.996   3.251
  504    HZ   PHE  66           HZ       PHE  66  -7.343   2.907   5.673
  505    H    ARG  67           H        ARG  67   0.268   5.407   5.718
  506    HA   ARG  67           HA       ARG  67   1.360   7.717   4.646
  507    HB2  ARG  67           HB3      ARG  67   3.503   6.922   5.565
  508    HB3  ARG  67           HB2      ARG  67   2.182   6.582   6.675
  509    HG2  ARG  67           HG3      ARG  67   2.167   4.324   5.145
  510    HG3  ARG  67           HG2      ARG  67   3.884   4.716   5.151
  511    HD2  ARG  67           HD3      ARG  67   3.561   5.031   7.717
  512    HD3  ARG  67           HD2      ARG  67   2.080   4.109   7.479
  513    HE   ARG  67           HE       ARG  67   4.345   2.775   6.274
  514   HH11  ARG  67          HH22      ARG  67   2.708   3.493   9.221
  515   HH12  ARG  67          HH21      ARG  67   3.226   2.046  10.019
  516   HH21  ARG  67          HH11      ARG  67   5.024   0.873   7.297
  517   HH22  ARG  67          HH12      ARG  67   4.538   0.564   8.930
  518    H    SER  68           H        SER  68   1.792   4.386   3.418
  519    HA   SER  68           HA       SER  68   2.543   5.501   0.809
  520    HB2  SER  68           HB3      SER  68   4.693   5.515   2.063
  521    HB3  SER  68           HB2      SER  68   4.527   3.782   2.327
  522    HG   SER  68           HG       SER  68   5.795   4.586   0.424
  523    H    ILE  69           H        ILE  69   2.410   3.932  -0.877
  524    HA   ILE  69           HA       ILE  69   0.543   1.831  -0.519
  525    HB   ILE  69           HB       ILE  69   2.544   1.472  -2.677
  526   HG12  ILE  69          HG13      ILE  69   1.281   3.477  -3.847
  527   HG13  ILE  69          HG12      ILE  69   1.088   4.038  -2.191
  528   HG21  ILE  69          HG21      ILE  69   0.665   0.906  -3.928
  529   HG22  ILE  69          HG22      ILE  69  -0.391   1.981  -3.010
  530   HG23  ILE  69          HG23      ILE  69   0.144   0.455  -2.304
  531   HD11  ILE  69          HD11      ILE  69   3.139   4.978  -2.569
  532   HD12  ILE  69          HD12      ILE  69   3.547   3.815  -3.831
  533   HD13  ILE  69          HD13      ILE  69   3.705   3.365  -2.133
  534    H    ARG  70           H        ARG  70   4.091   1.776  -0.616
  535    HA   ARG  70           HA       ARG  70   4.456  -1.026  -0.451
  536    HB2  ARG  70           HB3      ARG  70   6.677  -0.463   0.524
  537    HB3  ARG  70           HB2      ARG  70   6.307   0.522  -0.893
  538    HG2  ARG  70           HG3      ARG  70   5.277   2.164   0.898
  539    HG3  ARG  70           HG2      ARG  70   6.356   1.311   2.000
  540    HD2  ARG  70           HD3      ARG  70   7.239   2.588  -0.603
  541    HD3  ARG  70           HD2      ARG  70   7.404   3.346   0.979
  542    HE   ARG  70           HE       ARG  70   8.985   1.072  -0.027
  543   HH11  ARG  70          HH22      ARG  70   7.955   3.045   2.610
  544   HH12  ARG  70          HH21      ARG  70   9.308   2.637   3.610
  545   HH21  ARG  70          HH11      ARG  70  10.751   0.531   1.268
  546   HH22  ARG  70          HH12      ARG  70  10.888   1.215   2.854
  547    H    SER  71           H        SER  71   3.951   1.385   2.106
  548    HA   SER  71           HA       SER  71   4.282  -0.438   4.297
  549    HB2  SER  71           HB3      SER  71   3.259   1.292   5.636
  550    HB3  SER  71           HB2      SER  71   4.304   2.073   4.457
  551    HG   SER  71           HG       SER  71   2.596   2.843   3.443
  552    H    ILE  72           H        ILE  72   1.517   0.445   2.269
  553    HA   ILE  72           HA       ILE  72  -0.530  -0.731   3.836
  554    HB   ILE  72           HB       ILE  72  -0.275  -0.442   0.831
  555   HG12  ILE  72          HG13      ILE  72  -1.795   1.214   2.871
  556   HG13  ILE  72          HG12      ILE  72  -0.224   1.659   2.207
  557   HG21  ILE  72          HG21      ILE  72  -2.113  -1.732   0.737
  558   HG22  ILE  72          HG22      ILE  72  -2.966  -0.429   1.565
  559   HG23  ILE  72          HG23      ILE  72  -2.266  -1.754   2.494
  560   HD11  ILE  72          HD11      ILE  72  -1.328   2.653   0.512
  561   HD12  ILE  72          HD12      ILE  72  -2.863   1.950   1.025
  562   HD13  ILE  72          HD13      ILE  72  -1.786   1.039  -0.034
  563    H    ASP  73           H        ASP  73   1.367  -2.149   1.147
  564    HA   ASP  73           HA       ASP  73   0.221  -4.751   1.309
  565    HB2  ASP  73           HB3      ASP  73   1.819  -3.802  -0.479
  566    HB3  ASP  73           HB2      ASP  73   3.120  -4.224   0.631
  567    H    ALA  74           H        ALA  74   3.004  -3.305   2.962
  568    HA   ALA  74           HA       ALA  74   3.784  -5.677   4.373
  569    HB1  ALA  74           HB1      ALA  74   5.401  -4.345   5.291
  570    HB2  ALA  74           HB2      ALA  74   4.263  -3.051   5.666
  571    HB3  ALA  74           HB3      ALA  74   4.892  -3.226   4.027
  572    H    PHE  75           H        PHE  75   1.532  -3.054   5.150
  573    HA   PHE  75           HA       PHE  75   1.099  -3.752   7.877
  574    HB2  PHE  75           HB3      PHE  75   0.286  -1.652   6.772
  575    HB3  PHE  75           HB2      PHE  75  -0.940  -2.622   5.960
  576    HD1  PHE  75           HD1      PHE  75   0.277  -1.452   9.259
  577    HD2  PHE  75           HD2      PHE  75  -2.878  -3.439   7.125
  578    HE1  PHE  75           HE1      PHE  75  -1.171  -1.313  11.269
  579    HE2  PHE  75           HE2      PHE  75  -4.324  -3.300   9.134
  580    HZ   PHE  75           HZ       PHE  75  -3.471  -2.238  11.206
  581    H    VAL  76           H        VAL  76  -0.707  -4.741   4.947
  582    HA   VAL  76           HA       VAL  76  -2.467  -6.516   6.362
  583    HB   VAL  76           HB       VAL  76  -1.625  -6.574   3.452
  584   HG11  VAL  76          HG11      VAL  76  -4.220  -7.365   3.564
  585   HG12  VAL  76          HG12      VAL  76  -3.624  -8.003   5.094
  586   HG13  VAL  76          HG13      VAL  76  -2.857  -8.481   3.583
  587   HG21  VAL  76          HG21      VAL  76  -2.452  -4.365   3.994
  588   HG22  VAL  76          HG22      VAL  76  -3.803  -5.044   4.903
  589   HG23  VAL  76          HG23      VAL  76  -3.736  -5.230   3.150
  590    H    VAL  77           H        VAL  77   0.482  -7.118   4.405
  591    HA   VAL  77           HA       VAL  77   0.502  -9.949   4.946
  592    HB   VAL  77           HB       VAL  77   2.688  -8.044   4.056
  593   HG11  VAL  77          HG11      VAL  77   2.585 -11.066   4.169
  594   HG12  VAL  77          HG12      VAL  77   3.695 -10.011   5.042
  595   HG13  VAL  77          HG13      VAL  77   3.807 -10.151   3.287
  596   HG21  VAL  77          HG21      VAL  77   2.078  -8.565   1.872
  597   HG22  VAL  77          HG22      VAL  77   0.502  -8.593   2.661
  598   HG23  VAL  77          HG23      VAL  77   1.351 -10.104   2.332
  599    H    GLY  78           H        GLY  78   2.126  -7.148   6.369
  600    HA2  GLY  78           HA3      GLY  78   3.783  -8.533   8.210
  601    HA3  GLY  78           HA2      GLY  78   3.214  -6.879   8.419
  602    H    ALA  79           H        ALA  79   0.415  -7.429   8.477
  603    HA   ALA  79           HA       ALA  79   0.116  -8.125  11.252
  604    HB1  ALA  79           HB1      ALA  79  -1.585  -6.715  10.593
  605    HB2  ALA  79           HB2      ALA  79  -2.413  -8.260  10.406
  606    HB3  ALA  79           HB3      ALA  79  -1.720  -7.455   8.998
  607    H    THR  80           H        THR  80  -0.546  -9.899   8.242
  608    HA   THR  80           HA       THR  80  -1.534 -12.228   9.717
  609    HB   THR  80           HB       THR  80  -1.784 -13.257   7.531
  610    HG1  THR  80           HG1      THR  80  -0.492 -12.717   5.986
  611   HG21  THR  80          HG21      THR  80  -3.620 -11.978   7.310
  612   HG22  THR  80          HG22      THR  80  -2.647 -10.770   6.470
  613   HG23  THR  80          HG23      THR  80  -2.852 -10.676   8.219
  614    H    THR  81           H        THR  81   1.467 -11.147   8.285
  615    HA   THR  81           HA       THR  81   2.764 -13.590   9.369
  616    HB   THR  81           HB       THR  81   4.355 -13.003   7.257
  617    HG1  THR  81           HG1      THR  81   2.069 -12.866   5.854
  618   HG21  THR  81          HG21      THR  81   3.272 -14.888   6.120
  619   HG22  THR  81          HG22      THR  81   1.855 -14.706   7.155
  620   HG23  THR  81          HG23      THR  81   3.395 -15.209   7.851
  621    HA   PRO  82           HA       PRO  82   5.535 -10.792  11.366
  622    HB2  PRO  82           HB2      PRO  82   7.944 -12.139  11.044
  623    HB3  PRO  82           HB3      PRO  82   6.744 -12.488  12.301
  624    HG2  PRO  82           HG3      PRO  82   7.260 -13.884   9.733
  625    HG3  PRO  82           HG2      PRO  82   6.766 -14.542  11.302
  626    HD2  PRO  82           HD3      PRO  82   5.019 -14.233   9.237
  627    HD3  PRO  82           HD2      PRO  82   4.520 -14.093  10.938
  628    HA   PRO  83           HA       PRO  83   7.076  -8.785   7.559
  629    HB2  PRO  83           HB2      PRO  83   7.104  -6.233   8.525
  630    HB3  PRO  83           HB3      PRO  83   5.653  -7.033   7.901
  631    HG2  PRO  83           HG3      PRO  83   6.466  -6.494  10.690
  632    HG3  PRO  83           HG2      PRO  83   4.848  -6.589   9.982
  633    HD2  PRO  83           HD3      PRO  83   6.071  -8.596  11.495
  634    HD3  PRO  83           HD2      PRO  83   4.670  -8.824  10.429
  635    H    VAL  84           H        VAL  84   9.062  -7.861   6.928
  636    HA   VAL  84           HA       VAL  84  11.189  -7.986   9.018
  637    HB   VAL  84           HB       VAL  84  11.463  -8.010   5.995
  638   HG11  VAL  84          HG11      VAL  84  13.442  -8.643   8.208
  639   HG12  VAL  84          HG12      VAL  84  13.442  -7.172   7.235
  640   HG13  VAL  84          HG13      VAL  84  13.764  -8.731   6.476
  641   HG21  VAL  84          HG21      VAL  84  10.937 -10.124   8.002
  642   HG22  VAL  84          HG22      VAL  84  12.238 -10.478   6.866
  643   HG23  VAL  84          HG23      VAL  84  10.619 -10.115   6.267
  644    H    GLU  85           H        GLU  85  12.236  -6.119   9.587
  645    HA   GLU  85           HA       GLU  85  12.459  -3.766   9.767
  646    HB2  GLU  85           HB3      GLU  85  14.196  -4.511   8.112
  647    HB3  GLU  85           HB2      GLU  85  13.062  -4.125   6.817
  648    HG2  GLU  85           HG3      GLU  85  12.939  -1.784   7.668
  649    HG3  GLU  85           HG2      GLU  85  14.159  -2.187   8.875
  650    H    ALA  86           H        ALA  86   9.955  -3.736   9.948
  651    HA   ALA  86           HA       ALA  86   8.315  -3.028   7.734
  652    HB1  ALA  86           HB1      ALA  86   8.056  -3.177  10.598
  653    HB2  ALA  86           HB2      ALA  86   6.788  -3.232   9.373
  654    HB3  ALA  86           HB3      ALA  86   7.321  -1.681  10.022
  655    H    LYS  87           H        LYS  87   7.599  -0.964   6.998
  656    HA   LYS  87           HA       LYS  87   9.559   1.060   6.744
  657    HB2  LYS  87           HB3      LYS  87   7.554   0.829   5.280
  658    HB3  LYS  87           HB2      LYS  87   6.545   1.390   6.612
  659    HG2  LYS  87           HG3      LYS  87   7.877   3.506   6.672
  660    HG3  LYS  87           HG2      LYS  87   8.755   2.952   5.246
  661    HD2  LYS  87           HD3      LYS  87   6.544   2.733   4.060
  662    HD3  LYS  87           HD2      LYS  87   5.782   3.490   5.458
  663    HE2  LYS  87           HE3      LYS  87   7.528   4.694   3.370
  664    HE3  LYS  87           HE2      LYS  87   6.154   5.393   4.227
  665    HZ1  LYS  87           HZ1      LYS  87   7.445   5.926   6.041
  666    HZ2  LYS  87           HZ2      LYS  87   8.526   6.208   4.765
  667    HZ3  LYS  87           HZ3      LYS  87   8.645   4.780   5.677
  668    H    LEU  88           H        LEU  88   6.930   0.702   9.103
  669    HA   LEU  88           HA       LEU  88   7.165   3.244  10.349
  670    HB2  LEU  88           HB3      LEU  88   5.340   1.579  10.791
  671    HB3  LEU  88           HB2      LEU  88   6.501   0.611  11.699
  672    HG   LEU  88           HG       LEU  88   6.928   2.623  13.156
  673   HD11  LEU  88          HD11      LEU  88   4.563   4.062  12.840
  674   HD12  LEU  88          HD12      LEU  88   5.113   3.797  11.186
  675   HD13  LEU  88          HD13      LEU  88   6.170   4.595  12.350
  676   HD21  LEU  88          HD21      LEU  88   4.614   2.465  14.281
  677   HD22  LEU  88          HD22      LEU  88   5.505   0.956  14.074
  678   HD23  LEU  88          HD23      LEU  88   4.188   1.361  12.973
  679    H    GLN  89           H        GLN  89   8.988   0.242  10.825
  680    HA   GLN  89           HA       GLN  89  10.627   1.563  12.920
  681    HB2  GLN  89           HB3      GLN  89  10.617  -1.282  11.866
  682    HB3  GLN  89           HB2      GLN  89  11.659  -0.695  13.164
  683    HG2  GLN  89           HG3      GLN  89   9.690  -0.102  14.505
  684    HG3  GLN  89           HG2      GLN  89   8.626  -0.633  13.201
  685   HE21  GLN  89          HE22      GLN  89   8.469  -1.862  15.765
  686   HE22  GLN  89          HE21      GLN  89   9.029  -3.460  15.639
  Start of MODEL   11
    1    H1   SER  -1           H1       SER  -1   8.006 -10.843   4.934
    2    H2   SER  -1           H2       SER  -1   8.638 -11.908   3.769
    3    H3   SER  -1           H3       SER  -1   7.121 -11.180   3.527
    4    HA   SER  -1           HA       SER  -1   8.304  -8.972   3.574
    5    HB2  SER  -1           HB3      SER  -1  10.645 -10.876   3.292
    6    HB3  SER  -1           HB2      SER  -1  10.727  -9.150   2.949
    7    HG   SER  -1           HG       SER  -1  11.064 -10.298   5.254
    8    H    GLU   0           H        GLU   0   7.715 -11.827   1.900
    9    HA   GLU   0           HA       GLU   0   8.699 -11.276  -0.707
   10    HB2  GLU   0           HB3      GLU   0   6.139 -12.686   0.110
   11    HB3  GLU   0           HB2      GLU   0   6.872 -12.763  -1.492
   12    HG2  GLU   0           HG3      GLU   0   8.936 -13.708  -0.478
   13    HG3  GLU   0           HG2      GLU   0   8.144 -13.695   1.098
   14    H    MET   1           H        MET   1   7.907 -10.014  -2.387
   15    HA   MET   1           HA       MET   1   6.329  -7.724  -1.771
   16    HB2  MET   1           HB3      MET   1   6.991  -9.029  -4.422
   17    HB3  MET   1           HB2      MET   1   6.180  -7.471  -4.277
   18    HG2  MET   1           HG3      MET   1   8.108  -6.633  -2.934
   19    HG3  MET   1           HG2      MET   1   8.928  -8.171  -3.206
   20    HE1  MET   1           HE1      MET   1  10.585  -6.583  -3.617
   21    HE2  MET   1           HE2      MET   1  10.474  -5.202  -4.717
   22    HE3  MET   1           HE3      MET   1  11.209  -6.708  -5.259
   23    H    GLN   2           H        GLN   2   5.458 -10.866  -3.150
   24    HA   GLN   2           HA       GLN   2   3.361 -11.817  -3.571
   25    HB2  GLN   2           HB3      GLN   2   2.504  -9.799  -1.472
   26    HB3  GLN   2           HB2      GLN   2   1.544 -11.172  -2.022
   27    HG2  GLN   2           HG3      GLN   2   3.322 -12.714  -1.264
   28    HG3  GLN   2           HG2      GLN   2   4.263 -11.338  -0.689
   29   HE21  GLN   2          HE22      GLN   2   3.592 -13.190   1.240
   30   HE22  GLN   2          HE21      GLN   2   2.354 -12.597   2.239
   31    H    HIS   3           H        HIS   3   4.089 -10.042  -5.490
   32    HA   HIS   3           HA       HIS   3   3.079  -8.967  -7.323
   33    HB2  HIS   3           HB3      HIS   3   0.479  -8.725  -5.831
   34    HB3  HIS   3           HB2      HIS   3   0.758  -8.932  -7.555
   35    HD1  HIS   3           HD1      HIS   3   1.865 -11.362  -8.220
   36    HD2  HIS   3           HD2      HIS   3  -0.060 -11.117  -4.527
   37    HE1  HIS   3           HE1      HIS   3   1.391 -13.745  -7.498
   38    HE2  HIS   3           HE2      HIS   3   0.221 -13.607  -5.251
   39    H    ALA   4           H        ALA   4   4.604  -7.414  -5.761
   40    HA   ALA   4           HA       ALA   4   3.315  -5.220  -4.464
   41    HB1  ALA   4           HB1      ALA   4   5.561  -4.031  -5.189
   42    HB2  ALA   4           HB2      ALA   4   6.035  -5.667  -5.642
   43    HB3  ALA   4           HB3      ALA   4   5.586  -5.306  -3.973
   44    H    SER   5           H        SER   5   4.288  -5.749  -7.832
   45    HA   SER   5           HA       SER   5   3.784  -3.125  -8.803
   46    HB2  SER   5           HB3      SER   5   4.932  -4.958 -10.079
   47    HB3  SER   5           HB2      SER   5   3.361  -5.723 -10.303
   48    HG   SER   5           HG       SER   5   3.635  -3.017 -10.948
   49    H    VAL   6           H        VAL   6   1.603  -5.882  -8.329
   50    HA   VAL   6           HA       VAL   6  -0.667  -4.769  -9.643
   51    HB   VAL   6           HB       VAL   6  -0.475  -6.684  -7.316
   52   HG11  VAL   6          HG11      VAL   6  -2.669  -5.873  -7.128
   53   HG12  VAL   6          HG12      VAL   6  -2.867  -7.258  -8.202
   54   HG13  VAL   6          HG13      VAL   6  -2.826  -5.626  -8.868
   55   HG21  VAL   6          HG21      VAL   6  -0.978  -8.364  -9.060
   56   HG22  VAL   6          HG22      VAL   6   0.499  -7.477  -9.440
   57   HG23  VAL   6          HG23      VAL   6  -1.003  -7.086 -10.276
   58    H    ILE   7           H        ILE   7   0.435  -4.526  -6.280
   59    HA   ILE   7           HA       ILE   7  -1.764  -3.022  -5.277
   60    HB   ILE   7           HB       ILE   7   1.155  -2.888  -4.458
   61   HG12  ILE   7          HG13      ILE   7  -1.072  -4.561  -3.265
   62   HG13  ILE   7          HG12      ILE   7   0.026  -5.180  -4.498
   63   HG21  ILE   7          HG21      ILE   7   0.174  -2.217  -2.255
   64   HG22  ILE   7          HG22      ILE   7  -1.413  -2.143  -3.021
   65   HG23  ILE   7          HG23      ILE   7  -0.136  -1.038  -3.529
   66   HD11  ILE   7          HD11      ILE   7   0.474  -5.057  -1.705
   67   HD12  ILE   7          HD12      ILE   7   1.551  -3.869  -2.440
   68   HD13  ILE   7          HD13      ILE   7   1.614  -5.555  -2.955
   69    H    ALA   8           H        ALA   8   1.327  -1.956  -6.708
   70    HA   ALA   8           HA       ALA   8   0.839   0.847  -6.479
   71    HB1  ALA   8           HB1      ALA   8   2.782   1.081  -7.668
   72    HB2  ALA   8           HB2      ALA   8   2.298  -0.102  -8.884
   73    HB3  ALA   8           HB3      ALA   8   2.941  -0.643  -7.333
   74    H    GLN   9           H        GLN   9  -0.005  -1.528  -8.969
   75    HA   GLN   9           HA       GLN   9  -1.096   0.342 -10.849
   76    HB2  GLN   9           HB3      GLN   9  -0.519  -2.063 -11.341
   77    HB3  GLN   9           HB2      GLN   9  -1.949  -2.534 -10.423
   78    HG2  GLN   9           HG3      GLN   9  -3.347  -1.144 -11.948
   79    HG3  GLN   9           HG2      GLN   9  -1.906  -0.792 -12.903
   80   HE21  GLN   9          HE22      GLN   9  -4.468  -3.034 -12.500
   81   HE22  GLN   9          HE21      GLN   9  -3.850  -4.271 -13.485
   82    H    PHE  10           H        PHE  10  -2.425  -1.327  -8.046
   83    HA   PHE  10           HA       PHE  10  -5.177  -0.758  -8.469
   84    HB2  PHE  10           HB3      PHE  10  -3.499  -1.704  -6.311
   85    HB3  PHE  10           HB2      PHE  10  -4.698  -0.568  -5.701
   86    HD1  PHE  10           HD1      PHE  10  -7.156  -0.918  -6.589
   87    HD2  PHE  10           HD2      PHE  10  -4.100  -3.934  -6.631
   88    HE1  PHE  10           HE1      PHE  10  -8.897  -2.680  -6.714
   89    HE2  PHE  10           HE2      PHE  10  -5.838  -5.696  -6.759
   90    HZ   PHE  10           HZ       PHE  10  -8.237  -5.069  -6.795
   91    H    VAL  11           H        VAL  11  -2.760   1.087  -6.581
   92    HA   VAL  11           HA       VAL  11  -4.578   3.232  -5.994
   93    HB   VAL  11           HB       VAL  11  -2.484   4.510  -5.452
   94   HG11  VAL  11          HG11      VAL  11  -1.675   2.359  -3.929
   95   HG12  VAL  11          HG12      VAL  11  -3.334   1.926  -4.342
   96   HG13  VAL  11          HG13      VAL  11  -3.000   3.447  -3.515
   97   HG21  VAL  11          HG21      VAL  11  -1.146   1.944  -6.352
   98   HG22  VAL  11          HG22      VAL  11  -0.338   3.319  -5.603
   99   HG23  VAL  11          HG23      VAL  11  -1.056   3.486  -7.205
  100    H    VAL  12           H        VAL  12  -2.265   2.663  -8.618
  101    HA   VAL  12           HA       VAL  12  -2.489   5.243  -9.830
  102    HB   VAL  12           HB       VAL  12  -1.885   2.536 -11.034
  103   HG11  VAL  12          HG11      VAL  12  -1.601   5.324 -12.185
  104   HG12  VAL  12          HG12      VAL  12  -2.643   4.037 -12.794
  105   HG13  VAL  12          HG13      VAL  12  -0.889   3.879 -12.899
  106   HG21  VAL  12          HG21      VAL  12   0.294   4.427 -10.920
  107   HG22  VAL  12          HG22      VAL  12   0.185   2.826 -10.189
  108   HG23  VAL  12          HG23      VAL  12  -0.417   4.236  -9.318
  109    H    GLU  13           H        GLU  13  -4.295   2.206 -10.362
  110    HA   GLU  13           HA       GLU  13  -6.021   3.365 -12.378
  111    HB2  GLU  13           HB3      GLU  13  -6.261   0.869 -10.697
  112    HB3  GLU  13           HB2      GLU  13  -7.361   1.288 -12.002
  113    HG2  GLU  13           HG3      GLU  13  -5.446   1.371 -13.569
  114    HG3  GLU  13           HG2      GLU  13  -4.383   0.867 -12.260
  115    H    GLU  14           H        GLU  14  -5.957   3.408  -8.946
  116    HA   GLU  14           HA       GLU  14  -8.746   3.683  -8.398
  117    HB2  GLU  14           HB3      GLU  14  -6.975   3.268  -6.679
  118    HB3  GLU  14           HB2      GLU  14  -6.443   4.939  -6.881
  119    HG2  GLU  14           HG3      GLU  14  -8.739   5.705  -6.272
  120    HG3  GLU  14           HG2      GLU  14  -9.186   4.027  -5.967
  121    H    PHE  15           H        PHE  15  -6.329   6.040  -9.464
  122    HA   PHE  15           HA       PHE  15  -8.567   7.955  -9.872
  123    HB2  PHE  15           HB3      PHE  15  -7.445   8.471  -7.683
  124    HB3  PHE  15           HB2      PHE  15  -5.952   8.762  -8.577
  125    HD1  PHE  15           HD1      PHE  15  -9.499   9.857  -8.248
  126    HD2  PHE  15           HD2      PHE  15  -5.575  10.817  -9.703
  127    HE1  PHE  15           HE1      PHE  15 -10.253  12.164  -8.757
  128    HE2  PHE  15           HE2      PHE  15  -6.328  13.124 -10.215
  129    HZ   PHE  15           HZ       PHE  15  -8.668  13.797  -9.743
  130    H    LEU  16           H        LEU  16  -5.191   7.085 -10.562
  131    HA   LEU  16           HA       LEU  16  -5.431   8.630 -13.114
  132    HB2  LEU  16           HB3      LEU  16  -3.223   8.320 -11.149
  133    HB3  LEU  16           HB2      LEU  16  -2.773   8.343 -12.853
  134    HG   LEU  16           HG       LEU  16  -4.664  10.403 -11.749
  135   HD11  LEU  16          HD11      LEU  16  -2.768  10.614 -10.289
  136   HD12  LEU  16          HD12      LEU  16  -2.600  11.871 -11.514
  137   HD13  LEU  16          HD13      LEU  16  -1.638  10.397 -11.626
  138   HD21  LEU  16          HD21      LEU  16  -2.634  11.041 -13.801
  139   HD22  LEU  16          HD22      LEU  16  -4.357  11.418 -13.769
  140   HD23  LEU  16          HD23      LEU  16  -3.813   9.822 -14.285
  141    HA   PRO  17           HA       PRO  17  -4.896   4.163 -14.197
  142    HB2  PRO  17           HB2      PRO  17  -6.901   4.052 -16.046
  143    HB3  PRO  17           HB3      PRO  17  -7.165   3.791 -14.313
  144    HG2  PRO  17           HG3      PRO  17  -7.780   6.151 -15.981
  145    HG3  PRO  17           HG2      PRO  17  -8.610   5.527 -14.550
  146    HD2  PRO  17           HD3      PRO  17  -6.858   7.706 -14.587
  147    HD3  PRO  17           HD2      PRO  17  -7.359   6.812 -13.138
  148    H    ASP  18           H        ASP  18  -4.839   7.130 -15.939
  149    HA   ASP  18           HA       ASP  18  -3.896   5.889 -18.439
  150    HB2  ASP  18           HB3      ASP  18  -4.311   8.760 -17.598
  151    HB3  ASP  18           HB2      ASP  18  -3.721   8.282 -19.184
  152    H    VAL  19           H        VAL  19  -2.463   6.307 -15.573
  153    HA   VAL  19           HA       VAL  19   0.113   7.294 -16.728
  154    HB   VAL  19           HB       VAL  19  -0.694   7.029 -13.816
  155   HG11  VAL  19          HG11      VAL  19   1.673   6.923 -13.949
  156   HG12  VAL  19          HG12      VAL  19   1.325   8.619 -13.612
  157   HG13  VAL  19          HG13      VAL  19   1.734   8.111 -15.250
  158   HG21  VAL  19          HG21      VAL  19  -0.441   9.528 -15.518
  159   HG22  VAL  19          HG22      VAL  19  -0.992   9.436 -13.845
  160   HG23  VAL  19          HG23      VAL  19  -1.979   8.752 -15.137
  161    H    ALA  20           H        ALA  20   1.833   5.894 -16.824
  162    HA   ALA  20           HA       ALA  20   1.375   3.078 -16.376
  163    HB1  ALA  20           HB1      ALA  20   3.082   2.972 -17.827
  164    HB2  ALA  20           HB2      ALA  20   4.164   3.609 -16.588
  165    HB3  ALA  20           HB3      ALA  20   3.324   4.713 -17.678
  166    HA   PRO  21           HA       PRO  21   2.273   3.365 -11.911
  167    HB2  PRO  21           HB2      PRO  21   2.672   0.434 -12.233
  168    HB3  PRO  21           HB3      PRO  21   1.651   1.313 -11.083
  169    HG2  PRO  21           HG3      PRO  21   0.645   0.003 -13.195
  170    HG3  PRO  21           HG2      PRO  21  -0.089   1.475 -12.542
  171    HD2  PRO  21           HD3      PRO  21   1.444   1.106 -15.058
  172    HD3  PRO  21           HD2      PRO  21   0.201   2.309 -14.647
  173    H    ALA  22           H        ALA  22   4.248   1.779 -14.341
  174    HA   ALA  22           HA       ALA  22   6.543   1.237 -12.714
  175    HB1  ALA  22           HB1      ALA  22   7.768   1.285 -14.932
  176    HB2  ALA  22           HB2      ALA  22   6.245   1.764 -15.681
  177    HB3  ALA  22           HB3      ALA  22   6.379   0.199 -14.879
  178    H    ASP  23           H        ASP  23   5.294   4.172 -14.099
  179    HA   ASP  23           HA       ASP  23   7.847   5.603 -13.847
  180    HB2  ASP  23           HB3      ASP  23   6.599   7.552 -14.617
  181    HB3  ASP  23           HB2      ASP  23   6.201   6.168 -15.633
  182    H    VAL  24           H        VAL  24   5.891   4.452 -11.557
  183    HA   VAL  24           HA       VAL  24   5.876   6.938  -9.904
  184    HB   VAL  24           HB       VAL  24   4.655   4.261  -9.206
  185   HG11  VAL  24          HG11      VAL  24   3.337   6.668  -8.255
  186   HG12  VAL  24          HG12      VAL  24   5.033   6.640  -7.772
  187   HG13  VAL  24          HG13      VAL  24   3.968   5.304  -7.334
  188   HG21  VAL  24          HG21      VAL  24   2.527   5.157 -10.074
  189   HG22  VAL  24          HG22      VAL  24   3.729   5.075 -11.362
  190   HG23  VAL  24          HG23      VAL  24   3.352   6.623 -10.605
  191    H    ASP  25           H        ASP  25   7.316   7.135  -8.231
  192    HA   ASP  25           HA       ASP  25   9.206   4.910  -7.784
  193    HB2  ASP  25           HB3      ASP  25   9.992   7.288  -8.016
  194    HB3  ASP  25           HB2      ASP  25   9.152   7.663  -6.511
  195    H    VAL  26           H        VAL  26   8.760   3.437  -6.211
  196    HA   VAL  26           HA       VAL  26   6.634   3.861  -4.294
  197    HB   VAL  26           HB       VAL  26   7.265   1.662  -3.440
  198   HG11  VAL  26          HG11      VAL  26   6.192   0.862  -5.246
  199   HG12  VAL  26          HG12      VAL  26   7.730   0.823  -6.109
  200   HG13  VAL  26          HG13      VAL  26   6.706   2.257  -6.195
  201   HG21  VAL  26          HG21      VAL  26   9.561   1.488  -3.318
  202   HG22  VAL  26          HG22      VAL  26   9.808   2.337  -4.845
  203   HG23  VAL  26          HG23      VAL  26   9.308   0.646  -4.848
  204    H    ASP  27           H        ASP  27   9.588   5.237  -4.386
  205    HA   ASP  27           HA       ASP  27  10.272   4.894  -1.537
  206    HB2  ASP  27           HB3      ASP  27  11.520   6.517  -3.773
  207    HB3  ASP  27           HB2      ASP  27  12.138   6.472  -2.125
  208    H    LEU  28           H        LEU  28   8.216   6.799  -3.389
  209    HA   LEU  28           HA       LEU  28   8.395   9.120  -1.533
  210    HB2  LEU  28           HB3      LEU  28   8.377   9.556  -3.988
  211    HB3  LEU  28           HB2      LEU  28   6.786   8.810  -4.085
  212    HG   LEU  28           HG       LEU  28   5.977  10.494  -2.392
  213   HD11  LEU  28          HD11      LEU  28   7.570  12.606  -2.447
  214   HD12  LEU  28          HD12      LEU  28   8.819  11.395  -2.731
  215   HD13  LEU  28          HD13      LEU  28   7.837  11.322  -1.269
  216   HD21  LEU  28          HD21      LEU  28   5.259  11.261  -4.414
  217   HD22  LEU  28          HD22      LEU  28   6.835  11.023  -5.169
  218   HD23  LEU  28          HD23      LEU  28   6.527  12.471  -4.210
  219    H    ASP  29           H        ASP  29   6.692   9.604  -0.149
  220    HA   ASP  29           HA       ASP  29   4.931   7.520   0.638
  221    HB2  ASP  29           HB3      ASP  29   4.731  10.519   1.069
  222    HB3  ASP  29           HB2      ASP  29   3.705   9.336   1.880
  223    H    LEU  30           H        LEU  30   2.816   7.070   0.123
  224    HA   LEU  30           HA       LEU  30   1.904   7.778  -2.503
  225    HB2  LEU  30           HB3      LEU  30   1.401   5.719  -0.861
  226    HB3  LEU  30           HB2      LEU  30  -0.013   6.705  -0.499
  227    HG   LEU  30           HG       LEU  30   0.863   5.898  -3.285
  228   HD11  LEU  30          HD11      LEU  30  -0.397   4.354  -1.329
  229   HD12  LEU  30          HD12      LEU  30  -0.384   4.033  -3.063
  230   HD13  LEU  30          HD13      LEU  30  -1.719   4.932  -2.344
  231   HD21  LEU  30          HD21      LEU  30  -1.276   7.653  -2.155
  232   HD22  LEU  30          HD22      LEU  30  -1.671   6.675  -3.568
  233   HD23  LEU  30          HD23      LEU  30  -0.345   7.835  -3.641
  234    H    VAL  31           H        VAL  31   0.962   8.864   0.745
  235    HA   VAL  31           HA       VAL  31  -1.325  10.361  -0.090
  236    HB   VAL  31           HB       VAL  31   0.501  10.717   2.296
  237   HG11  VAL  31          HG11      VAL  31  -1.741  12.315   1.251
  238   HG12  VAL  31          HG12      VAL  31  -0.520  12.743   2.449
  239   HG13  VAL  31          HG13      VAL  31  -1.943  11.818   2.932
  240   HG21  VAL  31          HG21      VAL  31  -1.503   8.819   1.594
  241   HG22  VAL  31          HG22      VAL  31  -2.187   9.857   2.844
  242   HG23  VAL  31          HG23      VAL  31  -0.680   8.991   3.145
  243    H    ASP  32           H        ASP  32   2.106  11.230   0.100
  244    HA   ASP  32           HA       ASP  32   1.892  14.020  -0.213
  245    HB2  ASP  32           HB3      ASP  32   3.904  12.091  -1.412
  246    HB3  ASP  32           HB2      ASP  32   4.085  13.846  -1.454
  247    H    ASN  33           H        ASN  33   1.473  11.423  -2.528
  248    HA   ASN  33           HA       ASN  33   1.337  13.092  -4.878
  249    HB2  ASN  33           HB3      ASN  33   0.326  10.318  -4.268
  250    HB3  ASN  33           HB2      ASN  33   0.222  11.052  -5.861
  251   HD21  ASN  33          HD22      ASN  33   1.790   8.698  -5.447
  252   HD22  ASN  33          HD21      ASN  33   3.428   9.099  -5.633
  253    H    GLY  34           H        GLY  34  -1.030  11.931  -2.530
  254    HA2  GLY  34           HA3      GLY  34  -3.143  12.943  -2.062
  255    HA3  GLY  34           HA2      GLY  34  -2.959  13.935  -3.511
  256    H    VAL  35           H        VAL  35  -2.174  10.782  -4.246
  257    HA   VAL  35           HA       VAL  35  -4.393  10.401  -5.998
  258    HB   VAL  35           HB       VAL  35  -2.418   8.422  -4.827
  259   HG11  VAL  35          HG11      VAL  35  -4.658   8.106  -6.810
  260   HG12  VAL  35          HG12      VAL  35  -4.189   7.037  -5.487
  261   HG13  VAL  35          HG13      VAL  35  -3.208   7.113  -6.950
  262   HG21  VAL  35          HG21      VAL  35  -1.912  10.439  -6.544
  263   HG22  VAL  35          HG22      VAL  35  -2.467   9.223  -7.695
  264   HG23  VAL  35          HG23      VAL  35  -1.090   8.882  -6.647
  265    H    ILE  36           H        ILE  36  -3.827   9.467  -2.646
  266    HA   ILE  36           HA       ILE  36  -6.348   7.925  -2.587
  267    HB   ILE  36           HB       ILE  36  -4.347   8.522  -0.386
  268   HG12  ILE  36          HG13      ILE  36  -4.794   5.985  -1.984
  269   HG13  ILE  36          HG12      ILE  36  -3.499   7.135  -2.289
  270   HG21  ILE  36          HG21      ILE  36  -6.681   6.597  -0.551
  271   HG22  ILE  36          HG22      ILE  36  -6.575   8.017   0.491
  272   HG23  ILE  36          HG23      ILE  36  -5.502   6.642   0.758
  273   HD11  ILE  36          HD11      ILE  36  -2.260   6.303  -0.598
  274   HD12  ILE  36          HD12      ILE  36  -3.447   5.004  -0.460
  275   HD13  ILE  36          HD13      ILE  36  -3.613   6.461   0.519
  276    H    ASP  37           H        ASP  37  -8.217   8.883  -2.071
  277    HA   ASP  37           HA       ASP  37  -8.155  11.466  -0.579
  278    HB2  ASP  37           HB3      ASP  37 -10.096  10.393  -2.644
  279    HB3  ASP  37           HB2      ASP  37 -10.386  11.844  -1.691
  280    H    ALA  38           H        ALA  38 -10.801  11.601   0.174
  281    HA   ALA  38           HA       ALA  38 -10.906   9.836   2.430
  282    HB1  ALA  38           HB1      ALA  38 -12.356  11.464   3.019
  283    HB2  ALA  38           HB2      ALA  38 -13.532  10.713   1.942
  284    HB3  ALA  38           HB3      ALA  38 -12.496  12.011   1.349
  285    H    LEU  39           H        LEU  39 -12.877   9.921  -0.545
  286    HA   LEU  39           HA       LEU  39 -14.126   7.371  -0.025
  287    HB2  LEU  39           HB3      LEU  39 -13.797   8.990  -2.560
  288    HB3  LEU  39           HB2      LEU  39 -14.725   7.499  -2.478
  289    HG   LEU  39           HG       LEU  39 -15.989   8.622  -0.530
  290   HD11  LEU  39          HD11      LEU  39 -14.517  10.965  -1.742
  291   HD12  LEU  39          HD12      LEU  39 -14.659  10.522  -0.041
  292   HD13  LEU  39          HD13      LEU  39 -16.052  11.171  -0.901
  293   HD21  LEU  39          HD21      LEU  39 -17.042   8.218  -2.680
  294   HD22  LEU  39          HD22      LEU  39 -16.226   9.614  -3.384
  295   HD23  LEU  39          HD23      LEU  39 -17.467   9.846  -2.151
  296    H    GLY  40           H        GLY  40 -11.247   8.523  -1.628
  297    HA2  GLY  40           HA3      GLY  40 -10.500   6.169  -3.019
  298    HA3  GLY  40           HA2      GLY  40  -9.370   7.387  -2.418
  299    H    LEU  41           H        LEU  41  -9.930   7.211   0.326
  300    HA   LEU  41           HA       LEU  41  -8.334   4.957   1.088
  301    HB2  LEU  41           HB3      LEU  41  -8.517   7.088   2.387
  302    HB3  LEU  41           HB2      LEU  41 -10.169   6.647   2.815
  303    HG   LEU  41           HG       LEU  41  -8.132   4.561   3.327
  304   HD11  LEU  41          HD11      LEU  41  -6.741   6.271   4.121
  305   HD12  LEU  41          HD12      LEU  41  -7.658   5.839   5.564
  306   HD13  LEU  41          HD13      LEU  41  -8.101   7.270   4.632
  307   HD21  LEU  41          HD21      LEU  41  -9.563   4.030   5.093
  308   HD22  LEU  41          HD22      LEU  41 -10.697   4.752   3.950
  309   HD23  LEU  41          HD23      LEU  41 -10.085   5.702   5.303
  310    H    LEU  42           H        LEU  42 -11.820   5.609   1.167
  311    HA   LEU  42           HA       LEU  42 -12.629   3.239   2.520
  312    HB2  LEU  42           HB3      LEU  42 -14.152   5.130   2.055
  313    HB3  LEU  42           HB2      LEU  42 -14.058   4.783   0.330
  314    HG   LEU  42           HG       LEU  42 -14.784   2.342   1.272
  315   HD11  LEU  42          HD11      LEU  42 -16.255   4.331   3.014
  316   HD12  LEU  42          HD12      LEU  42 -14.931   3.321   3.593
  317   HD13  LEU  42          HD13      LEU  42 -16.424   2.576   3.022
  318   HD21  LEU  42          HD21      LEU  42 -16.385   4.729   0.379
  319   HD22  LEU  42          HD22      LEU  42 -17.187   3.204   0.759
  320   HD23  LEU  42          HD23      LEU  42 -15.977   3.268  -0.523
  321    H    LYS  43           H        LYS  43 -12.198   3.906  -0.939
  322    HA   LYS  43           HA       LYS  43 -12.957   1.344  -1.893
  323    HB2  LYS  43           HB3      LYS  43 -10.974   3.333  -3.012
  324    HB3  LYS  43           HB2      LYS  43 -11.571   1.931  -3.890
  325    HG2  LYS  43           HG3      LYS  43 -13.900   2.777  -3.581
  326    HG3  LYS  43           HG2      LYS  43 -13.238   4.224  -2.821
  327    HD2  LYS  43           HD3      LYS  43 -11.930   4.668  -4.904
  328    HD3  LYS  43           HD2      LYS  43 -12.726   3.287  -5.659
  329    HE2  LYS  43           HE3      LYS  43 -14.811   4.339  -5.701
  330    HE3  LYS  43           HE2      LYS  43 -14.391   5.442  -4.390
  331    HZ1  LYS  43           HZ1      LYS  43 -14.434   6.534  -6.570
  332    HZ2  LYS  43           HZ2      LYS  43 -13.197   5.505  -7.109
  333    HZ3  LYS  43           HZ3      LYS  43 -12.897   6.605  -5.850
  334    H    VAL  44           H        VAL  44  -9.889   2.554  -0.648
  335    HA   VAL  44           HA       VAL  44  -8.241   0.351  -1.378
  336    HB   VAL  44           HB       VAL  44  -8.075   2.263   0.959
  337   HG11  VAL  44          HG11      VAL  44  -6.143   0.162  -0.056
  338   HG12  VAL  44          HG12      VAL  44  -6.806   0.318   1.571
  339   HG13  VAL  44          HG13      VAL  44  -5.646   1.505   0.975
  340   HG21  VAL  44          HG21      VAL  44  -6.715   3.575  -0.407
  341   HG22  VAL  44          HG22      VAL  44  -7.863   2.943  -1.588
  342   HG23  VAL  44          HG23      VAL  44  -6.263   2.215  -1.436
  343    H    ILE  45           H        ILE  45 -10.182   0.956   1.525
  344    HA   ILE  45           HA       ILE  45  -9.410  -1.432   2.902
  345    HB   ILE  45           HB       ILE  45 -11.528   0.636   3.159
  346   HG12  ILE  45          HG13      ILE  45 -10.631   0.727   5.433
  347   HG13  ILE  45          HG12      ILE  45  -9.668  -0.717   5.134
  348   HG21  ILE  45          HG21      ILE  45 -11.720  -2.147   4.319
  349   HG22  ILE  45          HG22      ILE  45 -12.957  -1.242   3.445
  350   HG23  ILE  45          HG23      ILE  45 -12.499  -0.759   5.077
  351   HD11  ILE  45          HD11      ILE  45  -8.508   1.593   4.890
  352   HD12  ILE  45          HD12      ILE  45  -9.393   1.707   3.370
  353   HD13  ILE  45          HD13      ILE  45  -8.244   0.396   3.624
  354    H    ALA  46           H        ALA  46 -12.135  -0.743   0.703
  355    HA   ALA  46           HA       ALA  46 -13.467  -3.236   1.161
  356    HB1  ALA  46           HB1      ALA  46 -13.574  -1.103  -0.916
  357    HB2  ALA  46           HB2      ALA  46 -14.856  -1.727   0.122
  358    HB3  ALA  46           HB3      ALA  46 -14.332  -2.653  -1.285
  359    H    TRP  47           H        TRP  47 -11.275  -2.295  -1.543
  360    HA   TRP  47           HA       TRP  47 -11.363  -5.023  -2.585
  361    HB2  TRP  47           HB3      TRP  47 -10.720  -3.907  -4.424
  362    HB3  TRP  47           HB2      TRP  47 -10.352  -2.467  -3.475
  363    HD1  TRP  47           HD1      TRP  47  -8.718  -5.904  -4.210
  364    HE1  TRP  47           HE1      TRP  47  -6.160  -5.567  -4.265
  365    HE3  TRP  47           HE3      TRP  47  -8.482  -0.948  -3.127
  366    HZ2  TRP  47           HZ2      TRP  47  -4.263  -3.448  -3.886
  367    HZ3  TRP  47           HZ3      TRP  47  -6.299   0.221  -2.969
  368    HH2  TRP  47           HH2      TRP  47  -4.190  -1.025  -3.353
  369    H    LEU  48           H        LEU  48  -8.905  -3.086  -0.861
  370    HA   LEU  48           HA       LEU  48  -6.854  -5.036  -0.898
  371    HB2  LEU  48           HB3      LEU  48  -6.626  -2.654  -0.102
  372    HB3  LEU  48           HB2      LEU  48  -7.457  -3.128   1.377
  373    HG   LEU  48           HG       LEU  48  -5.696  -4.895   1.699
  374   HD11  LEU  48          HD11      LEU  48  -4.895  -3.860  -0.903
  375   HD12  LEU  48          HD12      LEU  48  -4.375  -5.329  -0.078
  376   HD13  LEU  48          HD13      LEU  48  -3.568  -3.797   0.257
  377   HD21  LEU  48          HD21      LEU  48  -5.578  -2.067   2.116
  378   HD22  LEU  48          HD22      LEU  48  -3.949  -2.639   1.753
  379   HD23  LEU  48          HD23      LEU  48  -4.853  -3.344   3.094
  380    H    GLU  49           H        GLU  49  -9.482  -4.557   1.472
  381    HA   GLU  49           HA       GLU  49  -8.647  -6.707   3.187
  382    HB2  GLU  49           HB3      GLU  49 -11.339  -5.385   2.788
  383    HB3  GLU  49           HB2      GLU  49 -10.968  -6.513   4.082
  384    HG2  GLU  49           HG3      GLU  49  -9.468  -3.941   3.582
  385    HG3  GLU  49           HG2      GLU  49 -10.716  -4.148   4.798
  386    H    ASP  50           H        ASP  50 -10.846  -6.504   0.411
  387    HA   ASP  50           HA       ASP  50 -11.953  -9.122   0.611
  388    HB2  ASP  50           HB3      ASP  50 -12.782  -7.284  -0.876
  389    HB3  ASP  50           HB2      ASP  50 -11.395  -7.581  -1.922
  390    H    ARG  51           H        ARG  51  -8.957  -7.983  -0.907
  391    HA   ARG  51           HA       ARG  51  -8.304 -10.313  -2.358
  392    HB2  ARG  51           HB3      ARG  51  -6.500  -8.329  -0.974
  393    HB3  ARG  51           HB2      ARG  51  -5.941  -9.538  -2.122
  394    HG2  ARG  51           HG3      ARG  51  -8.147  -7.622  -2.846
  395    HG3  ARG  51           HG2      ARG  51  -6.456  -7.157  -3.020
  396    HD2  ARG  51           HD3      ARG  51  -6.132  -9.281  -4.383
  397    HD3  ARG  51           HD2      ARG  51  -7.886  -9.455  -4.381
  398    HE   ARG  51           HE       ARG  51  -7.276  -6.829  -5.274
  399   HH11  ARG  51          HH22      ARG  51  -6.905 -10.140  -6.160
  400   HH12  ARG  51          HH21      ARG  51  -6.930  -9.826  -7.863
  401   HH21  ARG  51          HH11      ARG  51  -7.311  -6.400  -7.495
  402   HH22  ARG  51          HH12      ARG  51  -7.159  -7.709  -8.618
  403    H    PHE  52           H        PHE  52  -7.693  -9.583   1.078
  404    HA   PHE  52           HA       PHE  52  -6.360 -12.207   1.355
  405    HB2  PHE  52           HB3      PHE  52  -6.619  -9.764   3.047
  406    HB3  PHE  52           HB2      PHE  52  -6.385 -11.306   3.872
  407    HD1  PHE  52           HD1      PHE  52  -5.031  -9.290   1.015
  408    HD2  PHE  52           HD2      PHE  52  -4.224 -12.182   4.087
  409    HE1  PHE  52           HE1      PHE  52  -2.622  -9.240   0.429
  410    HE2  PHE  52           HE2      PHE  52  -1.815 -12.130   3.503
  411    HZ   PHE  52           HZ       PHE  52  -1.014 -10.660   1.673
  412    H    GLY  53           H        GLY  53  -9.515 -11.139   1.371
  413    HA2  GLY  53           HA3      GLY  53 -11.478 -12.308   1.958
  414    HA3  GLY  53           HA2      GLY  53 -10.456 -13.629   2.537
  415    H    ILE  54           H        ILE  54 -10.024 -10.338   3.600
  416    HA   ILE  54           HA       ILE  54 -10.921 -11.166   6.321
  417    HB   ILE  54           HB       ILE  54  -9.333  -9.403   7.112
  418   HG12  ILE  54          HG13      ILE  54  -8.550  -9.318   4.182
  419   HG13  ILE  54          HG12      ILE  54  -9.451  -8.054   5.012
  420   HG21  ILE  54          HG21      ILE  54  -8.558 -11.709   7.009
  421   HG22  ILE  54          HG22      ILE  54  -7.258 -10.650   6.460
  422   HG23  ILE  54          HG23      ILE  54  -8.216 -11.552   5.286
  423   HD11  ILE  54          HD11      ILE  54  -7.096  -7.443   4.960
  424   HD12  ILE  54          HD12      ILE  54  -6.648  -8.997   5.667
  425   HD13  ILE  54          HD13      ILE  54  -7.553  -7.821   6.621
  426    H    ALA  55           H        ALA  55 -12.069  -9.565   7.582
  427    HA   ALA  55           HA       ALA  55 -13.598  -7.673   5.876
  428    HB1  ALA  55           HB1      ALA  55 -15.325  -7.870   7.390
  429    HB2  ALA  55           HB2      ALA  55 -14.238  -8.046   8.767
  430    HB3  ALA  55           HB3      ALA  55 -14.529  -9.414   7.693
  431    H    ALA  56           H        ALA  56 -13.514  -5.455   6.213
  432    HA   ALA  56           HA       ALA  56 -11.196  -4.344   7.459
  433    HB1  ALA  56           HB1      ALA  56 -13.563  -2.583   7.183
  434    HB2  ALA  56           HB2      ALA  56 -13.041  -3.395   5.706
  435    HB3  ALA  56           HB3      ALA  56 -11.917  -2.362   6.589
  436    H    ASP  57           H        ASP  57 -14.442  -4.970   8.660
  437    HA   ASP  57           HA       ASP  57 -14.432  -3.321  10.947
  438    HB2  ASP  57           HB3      ASP  57 -15.625  -6.059  10.513
  439    HB3  ASP  57           HB2      ASP  57 -15.970  -5.056  11.917
  440    H    ASP  58           H        ASP  58 -13.004  -6.525  10.439
  441    HA   ASP  58           HA       ASP  58 -12.242  -7.017  13.138
  442    HB2  ASP  58           HB3      ASP  58 -10.969  -7.895  10.544
  443    HB3  ASP  58           HB2      ASP  58 -10.513  -8.527  12.124
  444    H    VAL  59           H        VAL  59 -10.552  -5.319  10.515
  445    HA   VAL  59           HA       VAL  59  -8.714  -4.191  12.583
  446    HB   VAL  59           HB       VAL  59  -7.949  -4.984   9.768
  447   HG11  VAL  59          HG11      VAL  59  -6.394  -3.364  10.204
  448   HG12  VAL  59          HG12      VAL  59  -5.634  -4.653  11.137
  449   HG13  VAL  59          HG13      VAL  59  -6.643  -3.455  11.948
  450   HG21  VAL  59          HG21      VAL  59  -6.775  -6.834  10.731
  451   HG22  VAL  59          HG22      VAL  59  -8.392  -6.870  11.434
  452   HG23  VAL  59          HG23      VAL  59  -7.039  -6.233  12.368
  453    H    GLU  60           H        GLU  60  -8.538  -1.981  12.505
  454    HA   GLU  60           HA       GLU  60  -9.929  -0.605  10.252
  455    HB2  GLU  60           HB3      GLU  60 -10.712  -0.142  12.587
  456    HB3  GLU  60           HB2      GLU  60  -9.120   0.513  12.950
  457    HG2  GLU  60           HG3      GLU  60  -9.413   2.148  11.104
  458    HG3  GLU  60           HG2      GLU  60 -11.044   1.536  10.859
  459    H    LEU  61           H        LEU  61  -8.759   0.712   8.892
  460    HA   LEU  61           HA       LEU  61  -5.841   0.857   9.352
  461    HB2  LEU  61           HB3      LEU  61  -7.455   1.661   6.916
  462    HB3  LEU  61           HB2      LEU  61  -5.711   1.472   7.008
  463    HG   LEU  61           HG       LEU  61  -7.774  -0.707   7.324
  464   HD11  LEU  61          HD11      LEU  61  -7.416  -1.113   5.139
  465   HD12  LEU  61          HD12      LEU  61  -5.673  -1.166   5.398
  466   HD13  LEU  61          HD13      LEU  61  -6.468   0.372   5.065
  467   HD21  LEU  61          HD21      LEU  61  -4.826  -0.600   7.900
  468   HD22  LEU  61          HD22      LEU  61  -5.546  -2.103   7.321
  469   HD23  LEU  61          HD23      LEU  61  -6.111  -1.376   8.826
  470    H    SER  62           H        SER  62  -4.763   2.828   9.584
  471    HA   SER  62           HA       SER  62  -6.506   5.219   9.938
  472    HB2  SER  62           HB3      SER  62  -4.676   4.042  11.665
  473    HB3  SER  62           HB2      SER  62  -3.766   5.367  10.954
  474    HG   SER  62           HG       SER  62  -5.317   5.634  12.914
  475    HA   PRO  63           HA       PRO  63  -4.687   7.301   6.498
  476    HB2  PRO  63           HB2      PRO  63  -3.665   9.580   7.886
  477    HB3  PRO  63           HB3      PRO  63  -5.194   9.457   7.001
  478    HG2  PRO  63           HG3      PRO  63  -4.679   9.311   9.887
  479    HG3  PRO  63           HG2      PRO  63  -6.160   9.742   9.020
  480    HD2  PRO  63           HD3      PRO  63  -5.865   7.378  10.345
  481    HD3  PRO  63           HD2      PRO  63  -6.892   7.548   8.907
  482    H    GLU  64           H        GLU  64  -2.870   6.728   9.397
  483    HA   GLU  64           HA       GLU  64  -0.257   7.391   8.364
  484    HB2  GLU  64           HB3      GLU  64  -0.733   7.259  10.787
  485    HB3  GLU  64           HB2      GLU  64  -1.043   5.537  10.619
  486    HG2  GLU  64           HG3      GLU  64   1.257   5.214   9.795
  487    HG3  GLU  64           HG2      GLU  64   1.567   6.931  10.027
  488    H    HIS  65           H        HIS  65  -2.312   4.559   8.284
  489    HA   HIS  65           HA       HIS  65  -0.299   2.671   7.522
  490    HB2  HIS  65           HB3      HIS  65  -2.261   1.612   8.149
  491    HB3  HIS  65           HB2      HIS  65  -3.280   2.811   7.355
  492    HD1  HIS  65           HD1      HIS  65  -2.022  -0.551   6.921
  493    HD2  HIS  65           HD2      HIS  65  -3.045   2.570   4.349
  494    HE1  HIS  65           HE1      HIS  65  -2.374  -1.587   4.632
  495    HE2  HIS  65           HE2      HIS  65  -2.987   0.304   3.061
  496    H    PHE  66           H        PHE  66  -1.760   5.276   5.887
  497    HA   PHE  66           HA       PHE  66  -1.086   4.178   3.221
  498    HB2  PHE  66           HB3      PHE  66  -2.384   6.826   3.908
  499    HB3  PHE  66           HB2      PHE  66  -2.340   6.039   2.331
  500    HD1  PHE  66           HD1      PHE  66  -3.482   5.494   5.848
  501    HD2  PHE  66           HD2      PHE  66  -4.074   4.570   1.697
  502    HE1  PHE  66           HE1      PHE  66  -5.546   4.251   6.424
  503    HE2  PHE  66           HE2      PHE  66  -6.141   3.327   2.271
  504    HZ   PHE  66           HZ       PHE  66  -6.876   3.168   4.635
  505    H    ARG  67           H        ARG  67   0.712   5.291   5.493
  506    HA   ARG  67           HA       ARG  67   1.958   7.680   4.782
  507    HB2  ARG  67           HB3      ARG  67   3.928   6.787   5.927
  508    HB3  ARG  67           HB2      ARG  67   2.468   6.322   6.797
  509    HG2  ARG  67           HG3      ARG  67   2.731   4.246   5.035
  510    HG3  ARG  67           HG2      ARG  67   4.417   4.640   5.355
  511    HD2  ARG  67           HD3      ARG  67   3.594   4.687   7.875
  512    HD3  ARG  67           HD2      ARG  67   2.301   3.672   7.242
  513    HE   ARG  67           HE       ARG  67   4.950   2.760   6.446
  514   HH11  ARG  67          HH22      ARG  67   2.486   2.780   8.857
  515   HH12  ARG  67          HH21      ARG  67   2.950   1.255   9.536
  516   HH21  ARG  67          HH11      ARG  67   5.566   0.761   7.317
  517   HH22  ARG  67          HH12      ARG  67   4.693   0.114   8.665
  518    H    SER  68           H        SER  68   2.390   4.461   3.327
  519    HA   SER  68           HA       SER  68   3.469   5.694   0.921
  520    HB2  SER  68           HB3      SER  68   5.655   4.577   0.998
  521    HB3  SER  68           HB2      SER  68   5.468   5.670   2.364
  522    HG   SER  68           HG       SER  68   4.865   2.898   2.441
  523    H    ILE  69           H        ILE  69   3.610   4.169  -0.838
  524    HA   ILE  69           HA       ILE  69   1.677   2.105  -0.844
  525    HB   ILE  69           HB       ILE  69   4.113   2.261  -2.635
  526   HG12  ILE  69          HG13      ILE  69   2.073   3.506  -3.978
  527   HG13  ILE  69          HG12      ILE  69   1.785   4.042  -2.328
  528   HG21  ILE  69          HG21      ILE  69   1.902   0.517  -2.501
  529   HG22  ILE  69          HG22      ILE  69   3.087   0.640  -3.801
  530   HG23  ILE  69          HG23      ILE  69   1.600   1.584  -3.871
  531   HD11  ILE  69          HD11      ILE  69   4.402   4.478  -2.357
  532   HD12  ILE  69          HD12      ILE  69   3.287   5.664  -3.031
  533   HD13  ILE  69          HD13      ILE  69   4.144   4.553  -4.098
  534    H    ARG  70           H        ARG  70   5.195   1.996  -0.444
  535    HA   ARG  70           HA       ARG  70   5.516  -0.817  -0.303
  536    HB2  ARG  70           HB3      ARG  70   7.581  -0.272   1.003
  537    HB3  ARG  70           HB2      ARG  70   7.425   0.704  -0.459
  538    HG2  ARG  70           HG3      ARG  70   6.154   2.365   1.140
  539    HG3  ARG  70           HG2      ARG  70   7.024   1.512   2.408
  540    HD2  ARG  70           HD3      ARG  70   8.430   2.664  -0.011
  541    HD3  ARG  70           HD2      ARG  70   8.153   3.606   1.453
  542    HE   ARG  70           HE       ARG  70   9.377   1.096   2.133
  543   HH11  ARG  70          HH22      ARG  70   9.949   4.155   0.650
  544   HH12  ARG  70          HH21      ARG  70  11.634   4.184   1.052
  545   HH21  ARG  70          HH11      ARG  70  11.573   1.116   2.667
  546   HH22  ARG  70          HH12      ARG  70  12.554   2.463   2.194
  547    H    SER  71           H        SER  71   4.677   1.564   2.181
  548    HA   SER  71           HA       SER  71   4.716  -0.226   4.412
  549    HB2  SER  71           HB3      SER  71   4.643   2.148   4.817
  550    HB3  SER  71           HB2      SER  71   3.154   2.315   3.891
  551    HG   SER  71           HG       SER  71   3.133   0.485   5.979
  552    H    ILE  72           H        ILE  72   2.127   0.667   2.129
  553    HA   ILE  72           HA       ILE  72   0.011  -0.702   3.412
  554    HB   ILE  72           HB       ILE  72   0.492  -0.289   0.446
  555   HG12  ILE  72          HG13      ILE  72  -1.094   1.364   2.439
  556   HG13  ILE  72          HG12      ILE  72   0.511   1.790   1.842
  557   HG21  ILE  72          HG21      ILE  72  -1.415  -1.438   0.164
  558   HG22  ILE  72          HG22      ILE  72  -2.251  -0.238   1.148
  559   HG23  ILE  72          HG23      ILE  72  -1.559  -1.671   1.906
  560   HD11  ILE  72          HD11      ILE  72  -2.077   1.631   0.300
  561   HD12  ILE  72          HD12      ILE  72  -0.517   1.576  -0.518
  562   HD13  ILE  72          HD13      ILE  72  -0.964   2.992   0.433
  563    H    ASP  73           H        ASP  73   2.265  -1.862   0.885
  564    HA   ASP  73           HA       ASP  73   1.220  -4.509   0.731
  565    HB2  ASP  73           HB3      ASP  73   2.996  -3.349  -0.765
  566    HB3  ASP  73           HB2      ASP  73   4.156  -3.866   0.455
  567    H    ALA  74           H        ALA  74   3.758  -3.095   2.773
  568    HA   ALA  74           HA       ALA  74   4.422  -5.530   4.140
  569    HB1  ALA  74           HB1      ALA  74   5.826  -4.213   5.432
  570    HB2  ALA  74           HB2      ALA  74   4.680  -2.873   5.492
  571    HB3  ALA  74           HB3      ALA  74   5.621  -3.163   4.029
  572    H    PHE  75           H        PHE  75   2.092  -2.940   4.820
  573    HA   PHE  75           HA       PHE  75   1.348  -3.846   7.424
  574    HB2  PHE  75           HB3      PHE  75   0.711  -1.629   6.438
  575    HB3  PHE  75           HB2      PHE  75  -0.436  -2.479   5.407
  576    HD1  PHE  75           HD1      PHE  75  -2.414  -3.594   6.353
  577    HD2  PHE  75           HD2      PHE  75   0.334  -1.415   8.832
  578    HE1  PHE  75           HE1      PHE  75  -4.071  -3.605   8.198
  579    HE2  PHE  75           HE2      PHE  75  -1.324  -1.424  10.677
  580    HZ   PHE  75           HZ       PHE  75  -3.527  -2.518  10.360
  581    H    VAL  76           H        VAL  76  -0.080  -4.545   4.220
  582    HA   VAL  76           HA       VAL  76  -2.090  -6.330   5.200
  583    HB   VAL  76           HB       VAL  76  -0.731  -6.040   2.511
  584   HG11  VAL  76          HG11      VAL  76  -1.464  -8.279   2.503
  585   HG12  VAL  76          HG12      VAL  76  -2.798  -7.394   1.764
  586   HG13  VAL  76          HG13      VAL  76  -2.903  -7.905   3.449
  587   HG21  VAL  76          HG21      VAL  76  -3.591  -5.513   2.727
  588   HG22  VAL  76          HG22      VAL  76  -2.308  -4.468   2.118
  589   HG23  VAL  76          HG23      VAL  76  -2.662  -4.515   3.845
  590    H    VAL  77           H        VAL  77   1.164  -6.965   3.820
  591    HA   VAL  77           HA       VAL  77   0.997  -9.813   4.236
  592    HB   VAL  77           HB       VAL  77   3.373  -7.962   3.879
  593   HG11  VAL  77          HG11      VAL  77   4.019 -10.528   3.000
  594   HG12  VAL  77          HG12      VAL  77   3.177 -10.789   4.527
  595   HG13  VAL  77          HG13      VAL  77   4.600  -9.751   4.472
  596   HG21  VAL  77          HG21      VAL  77   1.404  -9.185   2.077
  597   HG22  VAL  77          HG22      VAL  77   3.072  -9.542   1.625
  598   HG23  VAL  77          HG23      VAL  77   2.537  -7.868   1.773
  599    H    GLY  78           H        GLY  78   2.627  -7.187   5.999
  600    HA2  GLY  78           HA3      GLY  78   3.626  -8.830   8.119
  601    HA3  GLY  78           HA2      GLY  78   3.435  -7.080   8.191
  602    H    ALA  79           H        ALA  79   0.502  -7.359   7.547
  603    HA   ALA  79           HA       ALA  79  -0.442  -7.431  10.258
  604    HB1  ALA  79           HB1      ALA  79  -1.810  -7.373   7.572
  605    HB2  ALA  79           HB2      ALA  79  -1.720  -6.099   8.789
  606    HB3  ALA  79           HB3      ALA  79  -2.740  -7.511   9.063
  607    H    THR  80           H        THR  80  -0.546  -9.799   7.615
  608    HA   THR  80           HA       THR  80  -2.058 -11.708   9.242
  609    HB   THR  80           HB       THR  80  -1.832 -13.199   7.327
  610    HG1  THR  80           HG1      THR  80   0.421 -11.991   7.001
  611   HG21  THR  80          HG21      THR  80  -2.227 -10.902   5.653
  612   HG22  THR  80          HG22      THR  80  -2.943 -10.584   7.233
  613   HG23  THR  80          HG23      THR  80  -3.439 -12.002   6.309
  614    H    THR  81           H        THR  81   1.294 -11.044   8.464
  615    HA   THR  81           HA       THR  81   2.067 -13.252  10.303
  616    HB   THR  81           HB       THR  81   2.564 -14.074   8.095
  617    HG1  THR  81           HG1      THR  81   4.510 -14.600   8.644
  618   HG21  THR  81          HG21      THR  81   4.237 -12.547   6.732
  619   HG22  THR  81          HG22      THR  81   3.487 -11.260   7.677
  620   HG23  THR  81          HG23      THR  81   2.497 -12.280   6.633
  621    HA   PRO  82           HA       PRO  82   4.415 -10.344  12.695
  622    HB2  PRO  82           HB2      PRO  82   6.747 -12.100  12.066
  623    HB3  PRO  82           HB3      PRO  82   6.221 -11.445  13.627
  624    HG2  PRO  82           HG3      PRO  82   5.753 -13.988  12.892
  625    HG3  PRO  82           HG2      PRO  82   4.657 -13.071  13.937
  626    HD2  PRO  82           HD3      PRO  82   4.248 -13.960  11.164
  627    HD3  PRO  82           HD2      PRO  82   3.053 -13.395  12.349
  628    HA   PRO  83           HA       PRO  83   5.916  -8.101   8.971
  629    HB2  PRO  83           HB2      PRO  83   6.273  -5.888  10.890
  630    HB3  PRO  83           HB3      PRO  83   5.337  -5.935   9.387
  631    HG2  PRO  83           HG3      PRO  83   4.213  -5.923  11.845
  632    HG3  PRO  83           HG2      PRO  83   3.459  -6.662  10.426
  633    HD2  PRO  83           HD3      PRO  83   4.753  -7.968  12.757
  634    HD3  PRO  83           HD2      PRO  83   3.479  -8.577  11.677
  635    H    VAL  84           H        VAL  84   8.012  -7.546   8.289
  636    HA   VAL  84           HA       VAL  84  10.166  -8.081  10.282
  637    HB   VAL  84           HB       VAL  84  10.322  -7.985   7.253
  638   HG11  VAL  84          HG11      VAL  84  12.473  -7.526   8.249
  639   HG12  VAL  84          HG12      VAL  84  12.489  -9.205   7.708
  640   HG13  VAL  84          HG13      VAL  84  12.267  -8.832   9.418
  641   HG21  VAL  84          HG21      VAL  84   9.112  -9.920   8.855
  642   HG22  VAL  84          HG22      VAL  84  10.728 -10.563   8.565
  643   HG23  VAL  84          HG23      VAL  84   9.685 -10.155   7.204
  644    H    GLU  85           H        GLU  85  11.472  -6.421  10.913
  645    HA   GLU  85           HA       GLU  85  12.044  -4.140  11.201
  646    HB2  GLU  85           HB3      GLU  85  12.581  -4.597   8.250
  647    HB3  GLU  85           HB2      GLU  85  13.247  -3.274   9.209
  648    HG2  GLU  85           HG3      GLU  85  14.309  -4.935  10.723
  649    HG3  GLU  85           HG2      GLU  85  13.700  -6.233   9.694
  650    H    ALA  86           H        ALA  86   9.482  -3.880  11.343
  651    HA   ALA  86           HA       ALA  86   7.885  -2.854   9.324
  652    HB1  ALA  86           HB1      ALA  86   6.863  -1.377  11.149
  653    HB2  ALA  86           HB2      ALA  86   8.105  -2.022  12.223
  654    HB3  ALA  86           HB3      ALA  86   6.921  -3.106  11.492
  655    H    LYS  87           H        LYS  87   7.533  -0.763   8.435
  656    HA   LYS  87           HA       LYS  87   9.819   0.782   7.829
  657    HB2  LYS  87           HB3      LYS  87   7.629   0.819   6.585
  658    HB3  LYS  87           HB2      LYS  87   6.961   1.788   7.898
  659    HG2  LYS  87           HG3      LYS  87   8.723   3.496   7.513
  660    HG3  LYS  87           HG2      LYS  87   9.325   2.542   6.156
  661    HD2  LYS  87           HD3      LYS  87   7.037   2.700   5.119
  662    HD3  LYS  87           HD2      LYS  87   6.584   3.813   6.410
  663    HE2  LYS  87           HE3      LYS  87   8.066   4.357   3.991
  664    HE3  LYS  87           HE2      LYS  87   7.453   5.494   5.192
  665    HZ1  LYS  87           HZ1      LYS  87  10.043   4.056   5.207
  666    HZ2  LYS  87           HZ2      LYS  87   9.426   4.843   6.578
  667    HZ3  LYS  87           HZ3      LYS  87   9.779   5.735   5.175
  668    H    LEU  88           H        LEU  88   7.517   1.062  10.492
  669    HA   LEU  88           HA       LEU  88   8.623   3.616  11.401
  670    HB2  LEU  88           HB3      LEU  88   6.823   1.669  12.877
  671    HB3  LEU  88           HB2      LEU  88   7.103   3.362  13.289
  672    HG   LEU  88           HG       LEU  88   5.797   2.324  10.756
  673   HD11  LEU  88          HD11      LEU  88   4.715   3.957  13.075
  674   HD12  LEU  88          HD12      LEU  88   4.365   2.255  12.773
  675   HD13  LEU  88          HD13      LEU  88   3.809   3.485  11.638
  676   HD21  LEU  88          HD21      LEU  88   6.880   4.257  10.023
  677   HD22  LEU  88          HD22      LEU  88   6.794   5.027  11.607
  678   HD23  LEU  88          HD23      LEU  88   5.352   4.923  10.597
  679    H    GLN  89           H        GLN  89  10.073   3.900  13.111
  680    HA   GLN  89           HA       GLN  89  11.913   3.316  14.450
  681    HB2  GLN  89           HB3      GLN  89   9.999   2.518  15.859
  682    HB3  GLN  89           HB2      GLN  89  10.168   0.927  15.117
  683    HG2  GLN  89           HG3      GLN  89  12.480   0.770  15.937
  684    HG3  GLN  89           HG2      GLN  89  12.341   2.374  16.659
  685   HE21  GLN  89          HE22      GLN  89  12.944   0.378  18.441
  686   HE22  GLN  89          HE21      GLN  89  11.588  -0.039  19.374
  Start of MODEL   12
    1    H1   SER  -1           H1       SER  -1   7.865 -13.535  -3.957
    2    H2   SER  -1           H2       SER  -1   8.942 -13.425  -2.647
    3    H3   SER  -1           H3       SER  -1   7.815 -12.185  -2.931
    4    HA   SER  -1           HA       SER  -1   6.126 -14.184  -2.690
    5    HB2  SER  -1           HB3      SER  -1   8.639 -14.950  -1.207
    6    HB3  SER  -1           HB2      SER  -1   7.056 -15.496  -0.661
    7    HG   SER  -1           HG       SER  -1   6.763 -16.530  -2.603
    8    H    GLU   0           H        GLU   0   8.441 -12.690  -0.393
    9    HA   GLU   0           HA       GLU   0   6.535 -12.081   1.618
   10    HB2  GLU   0           HB3      GLU   0   9.052 -11.913   1.826
   11    HB3  GLU   0           HB2      GLU   0   8.960 -10.403   0.918
   12    HG2  GLU   0           HG3      GLU   0   8.946  -9.812   3.248
   13    HG3  GLU   0           HG2      GLU   0   7.301  -9.582   2.652
   14    H    MET   1           H        MET   1   7.419 -10.368  -1.337
   15    HA   MET   1           HA       MET   1   6.108  -7.899  -0.808
   16    HB2  MET   1           HB3      MET   1   6.596  -9.380  -3.404
   17    HB3  MET   1           HB2      MET   1   5.952  -7.740  -3.325
   18    HG2  MET   1           HG3      MET   1   7.963  -7.042  -2.041
   19    HG3  MET   1           HG2      MET   1   8.620  -8.668  -2.225
   20    HE1  MET   1           HE1      MET   1  10.830  -6.544  -4.577
   21    HE2  MET   1           HE2      MET   1  10.837  -7.924  -3.471
   22    HE3  MET   1           HE3      MET   1  10.251  -6.356  -2.924
   23    H    GLN   2           H        GLN   2   4.880 -11.002  -1.942
   24    HA   GLN   2           HA       GLN   2   2.692 -11.765  -2.259
   25    HB2  GLN   2           HB3      GLN   2   2.041  -9.423  -0.439
   26    HB3  GLN   2           HB2      GLN   2   0.938 -10.733  -0.849
   27    HG2  GLN   2           HG3      GLN   2   2.496 -12.367   0.143
   28    HG3  GLN   2           HG2      GLN   2   3.602 -11.057   0.561
   29   HE21  GLN   2          HE22      GLN   2   2.576 -12.641   2.644
   30   HE22  GLN   2          HE21      GLN   2   1.467 -11.735   3.554
   31    H    HIS   3           H        HIS   3   3.636 -10.320  -4.361
   32    HA   HIS   3           HA       HIS   3   2.767  -9.381  -6.335
   33    HB2  HIS   3           HB3      HIS   3   0.178  -8.710  -4.963
   34    HB3  HIS   3           HB2      HIS   3   0.468  -9.175  -6.635
   35    HD1  HIS   3           HD1      HIS   3   1.361 -11.765  -6.929
   36    HD2  HIS   3           HD2      HIS   3  -0.624 -10.841  -3.377
   37    HE1  HIS   3           HE1      HIS   3   0.643 -13.973  -5.912
   38    HE2  HIS   3           HE2      HIS   3  -0.567 -13.422  -3.752
   39    H    ALA   4           H        ALA   4   4.421  -7.787  -5.026
   40    HA   ALA   4           HA       ALA   4   3.359  -5.349  -3.978
   41    HB1  ALA   4           HB1      ALA   4   5.712  -4.509  -4.952
   42    HB2  ALA   4           HB2      ALA   4   5.994  -6.247  -5.043
   43    HB3  ALA   4           HB3      ALA   4   5.604  -5.495  -3.495
   44    H    SER   5           H        SER   5   4.297  -6.303  -7.277
   45    HA   SER   5           HA       SER   5   3.895  -3.750  -8.493
   46    HB2  SER   5           HB3      SER   5   3.844  -4.951 -10.597
   47    HB3  SER   5           HB2      SER   5   5.045  -5.716  -9.560
   48    HG   SER   5           HG       SER   5   3.003  -7.011  -8.921
   49    H    VAL   6           H        VAL   6   1.666  -6.377  -7.718
   50    HA   VAL   6           HA       VAL   6  -0.571  -5.382  -9.205
   51    HB   VAL   6           HB       VAL   6  -0.424  -7.075  -6.708
   52   HG11  VAL   6          HG11      VAL   6  -2.751  -6.129  -8.361
   53   HG12  VAL   6          HG12      VAL   6  -2.602  -6.213  -6.606
   54   HG13  VAL   6          HG13      VAL   6  -2.822  -7.690  -7.544
   55   HG21  VAL   6          HG21      VAL   6  -0.867  -7.697  -9.643
   56   HG22  VAL   6          HG22      VAL   6  -1.026  -8.880  -8.344
   57   HG23  VAL   6          HG23      VAL   6   0.540  -8.140  -8.676
   58    H    ILE   7           H        ILE   7   0.545  -4.822  -5.892
   59    HA   ILE   7           HA       ILE   7  -1.636  -3.227  -5.004
   60    HB   ILE   7           HB       ILE   7   1.297  -2.982  -4.267
   61   HG12  ILE   7          HG13      ILE   7  -0.893  -4.584  -2.909
   62   HG13  ILE   7          HG12      ILE   7   0.260  -5.286  -4.044
   63   HG21  ILE   7          HG21      ILE   7  -0.079  -1.073  -3.529
   64   HG22  ILE   7          HG22      ILE   7   0.407  -2.062  -2.151
   65   HG23  ILE   7          HG23      ILE   7  -1.233  -2.185  -2.791
   66   HD11  ILE   7          HD11      ILE   7   0.763  -4.145  -1.307
   67   HD12  ILE   7          HD12      ILE   7   2.063  -4.182  -2.498
   68   HD13  ILE   7          HD13      ILE   7   1.295  -5.684  -1.984
   69    H    ALA   8           H        ALA   8   1.401  -2.319  -6.640
   70    HA   ALA   8           HA       ALA   8   0.918   0.496  -6.656
   71    HB1  ALA   8           HB1      ALA   8   3.013  -1.020  -7.389
   72    HB2  ALA   8           HB2      ALA   8   2.797   0.628  -7.980
   73    HB3  ALA   8           HB3      ALA   8   2.312  -0.739  -8.984
   74    H    GLN   9           H        GLN   9  -0.045  -2.089  -8.890
   75    HA   GLN   9           HA       GLN   9  -1.097  -0.447 -10.958
   76    HB2  GLN   9           HB3      GLN   9  -0.792  -2.951 -11.061
   77    HB3  GLN   9           HB2      GLN   9  -2.226  -3.108 -10.046
   78    HG2  GLN   9           HG3      GLN   9  -3.525  -1.822 -11.745
   79    HG3  GLN   9           HG2      GLN   9  -2.095  -1.802 -12.779
   80   HE21  GLN   9          HE22      GLN   9  -1.796  -4.693 -11.268
   81   HE22  GLN   9          HE21      GLN   9  -2.658  -5.689 -12.338
   82    H    PHE  10           H        PHE  10  -2.572  -1.650  -7.963
   83    HA   PHE  10           HA       PHE  10  -5.193  -0.626  -8.468
   84    HB2  PHE  10           HB3      PHE  10  -3.672  -1.406  -6.007
   85    HB3  PHE  10           HB2      PHE  10  -5.211  -0.563  -5.836
   86    HD1  PHE  10           HD2      PHE  10  -7.256  -1.515  -7.033
   87    HD2  PHE  10           HD1      PHE  10  -3.609  -3.721  -6.508
   88    HE1  PHE  10           HE2      PHE  10  -8.478  -3.631  -7.443
   89    HE2  PHE  10           HE1      PHE  10  -4.833  -5.839  -6.918
   90    HZ   PHE  10           HZ       PHE  10  -7.267  -5.792  -7.380
   91    H    VAL  11           H        VAL  11  -2.345   0.824  -6.917
   92    HA   VAL  11           HA       VAL  11  -3.599   3.190  -5.988
   93    HB   VAL  11           HB       VAL  11  -0.776   2.675  -6.941
   94   HG11  VAL  11          HG11      VAL  11  -2.030   5.128  -5.689
   95   HG12  VAL  11          HG12      VAL  11  -1.092   5.032  -7.180
   96   HG13  VAL  11          HG13      VAL  11  -0.295   4.810  -5.623
   97   HG21  VAL  11          HG21      VAL  11  -0.278   2.516  -4.588
   98   HG22  VAL  11          HG22      VAL  11  -1.686   1.497  -4.888
   99   HG23  VAL  11          HG23      VAL  11  -1.889   3.087  -4.153
  100    H    VAL  12           H        VAL  12  -1.899   2.680  -9.130
  101    HA   VAL  12           HA       VAL  12  -2.550   5.308 -10.079
  102    HB   VAL  12           HB       VAL  12  -1.847   4.514 -12.264
  103   HG11  VAL  12          HG11      VAL  12   0.113   2.937 -10.855
  104   HG12  VAL  12          HG12      VAL  12  -0.328   4.347  -9.893
  105   HG13  VAL  12          HG13      VAL  12   0.277   4.555 -11.537
  106   HG21  VAL  12          HG21      VAL  12  -1.896   1.743 -11.040
  107   HG22  VAL  12          HG22      VAL  12  -1.353   2.144 -12.667
  108   HG23  VAL  12          HG23      VAL  12  -3.047   2.342 -12.233
  109    H    GLU  13           H        GLU  13  -4.195   2.174 -10.392
  110    HA   GLU  13           HA       GLU  13  -6.221   3.097 -12.197
  111    HB2  GLU  13           HB3      GLU  13  -6.156   0.803 -10.240
  112    HB3  GLU  13           HB2      GLU  13  -7.468   1.071 -11.379
  113    HG2  GLU  13           HG3      GLU  13  -5.832   1.017 -13.240
  114    HG3  GLU  13           HG2      GLU  13  -4.565   0.647 -12.082
  115    H    GLU  14           H        GLU  14  -5.760   3.520  -8.808
  116    HA   GLU  14           HA       GLU  14  -8.482   3.856  -8.006
  117    HB2  GLU  14           HB3      GLU  14  -6.503   3.666  -6.456
  118    HB3  GLU  14           HB2      GLU  14  -6.081   5.324  -6.884
  119    HG2  GLU  14           HG3      GLU  14  -8.353   6.050  -6.127
  120    HG3  GLU  14           HG2      GLU  14  -8.662   4.399  -5.590
  121    H    PHE  15           H        PHE  15  -6.233   6.012  -9.656
  122    HA   PHE  15           HA       PHE  15  -8.496   7.849 -10.147
  123    HB2  PHE  15           HB3      PHE  15  -7.347   8.650  -8.059
  124    HB3  PHE  15           HB2      PHE  15  -5.879   8.870  -9.011
  125    HD1  PHE  15           HD1      PHE  15  -9.426   9.938  -8.673
  126    HD2  PHE  15           HD2      PHE  15  -5.601  10.756 -10.445
  127    HE1  PHE  15           HE1      PHE  15 -10.253  12.150  -9.434
  128    HE2  PHE  15           HE2      PHE  15  -6.428  12.967 -11.209
  129    HZ   PHE  15           HZ       PHE  15  -8.753  13.663 -10.703
  130    H    LEU  16           H        LEU  16  -5.160   6.891 -10.832
  131    HA   LEU  16           HA       LEU  16  -5.439   8.172 -13.523
  132    HB2  LEU  16           HB3      LEU  16  -3.197   8.068 -11.573
  133    HB3  LEU  16           HB2      LEU  16  -2.782   7.929 -13.280
  134    HG   LEU  16           HG       LEU  16  -4.699  10.062 -12.421
  135   HD11  LEU  16          HD11      LEU  16  -3.056  10.691 -10.916
  136   HD12  LEU  16          HD12      LEU  16  -2.447  11.482 -12.370
  137   HD13  LEU  16          HD13      LEU  16  -1.764   9.940 -11.853
  138   HD21  LEU  16          HD21      LEU  16  -4.186  10.988 -14.465
  139   HD22  LEU  16          HD22      LEU  16  -3.785   9.312 -14.843
  140   HD23  LEU  16          HD23      LEU  16  -2.509  10.448 -14.405
  141    HA   PRO  17           HA       PRO  17  -4.924   3.592 -14.083
  142    HB2  PRO  17           HB2      PRO  17  -6.861   3.323 -16.005
  143    HB3  PRO  17           HB3      PRO  17  -7.175   3.196 -14.266
  144    HG2  PRO  17           HG3      PRO  17  -7.745   5.414 -16.130
  145    HG3  PRO  17           HG2      PRO  17  -8.608   4.908 -14.672
  146    HD2  PRO  17           HD3      PRO  17  -6.879   7.085 -14.840
  147    HD3  PRO  17           HD2      PRO  17  -7.378   6.290 -13.334
  148    H    ASP  18           H        ASP  18  -4.681   6.345 -16.108
  149    HA   ASP  18           HA       ASP  18  -3.687   4.801 -18.419
  150    HB2  ASP  18           HB3      ASP  18  -4.138   7.749 -17.958
  151    HB3  ASP  18           HB2      ASP  18  -3.480   7.085 -19.448
  152    H    VAL  19           H        VAL  19  -2.298   5.396 -15.615
  153    HA   VAL  19           HA       VAL  19   0.275   6.379 -16.786
  154    HB   VAL  19           HB       VAL  19  -0.615   6.320 -13.887
  155   HG11  VAL  19          HG11      VAL  19   1.421   7.754 -13.583
  156   HG12  VAL  19          HG12      VAL  19   1.858   7.418 -15.259
  157   HG13  VAL  19          HG13      VAL  19   1.801   6.104 -14.082
  158   HG21  VAL  19          HG21      VAL  19  -1.813   7.970 -15.349
  159   HG22  VAL  19          HG22      VAL  19  -0.251   8.662 -15.782
  160   HG23  VAL  19          HG23      VAL  19  -0.816   8.739 -14.114
  161    H    ALA  20           H        ALA  20   2.018   5.024 -16.772
  162    HA   ALA  20           HA       ALA  20   1.619   2.233 -16.087
  163    HB1  ALA  20           HB1      ALA  20   4.208   3.636 -16.785
  164    HB2  ALA  20           HB2      ALA  20   3.053   3.053 -17.983
  165    HB3  ALA  20           HB3      ALA  20   3.867   1.910 -16.915
  166    HA   PRO  21           HA       PRO  21   2.675   2.914 -11.708
  167    HB2  PRO  21           HB2      PRO  21   3.248  -0.005 -11.831
  168    HB3  PRO  21           HB3      PRO  21   2.228   0.898 -10.696
  169    HG2  PRO  21           HG3      PRO  21   1.209  -0.622 -12.657
  170    HG3  PRO  21           HG2      PRO  21   0.417   0.849 -12.075
  171    HD2  PRO  21           HD3      PRO  21   1.844   0.379 -14.635
  172    HD3  PRO  21           HD2      PRO  21   0.564   1.549 -14.244
  173    H    ALA  22           H        ALA  22   4.663   1.280 -14.091
  174    HA   ALA  22           HA       ALA  22   7.041   1.004 -12.518
  175    HB1  ALA  22           HB1      ALA  22   6.607  -0.095 -14.747
  176    HB2  ALA  22           HB2      ALA  22   8.186   0.679 -14.621
  177    HB3  ALA  22           HB3      ALA  22   6.884   1.472 -15.508
  178    H    ASP  23           H        ASP  23   5.583   3.736 -14.131
  179    HA   ASP  23           HA       ASP  23   8.047   5.333 -13.987
  180    HB2  ASP  23           HB3      ASP  23   6.706   7.126 -14.954
  181    HB3  ASP  23           HB2      ASP  23   6.417   5.634 -15.847
  182    H    VAL  24           H        VAL  24   6.107   4.278 -11.640
  183    HA   VAL  24           HA       VAL  24   6.046   6.890 -10.177
  184    HB   VAL  24           HB       VAL  24   4.623   4.330  -9.420
  185   HG11  VAL  24          HG11      VAL  24   3.245   5.900  -8.075
  186   HG12  VAL  24          HG12      VAL  24   4.272   7.231  -8.606
  187   HG13  VAL  24          HG13      VAL  24   4.944   5.944  -7.605
  188   HG21  VAL  24          HG21      VAL  24   3.697   4.943 -11.542
  189   HG22  VAL  24          HG22      VAL  24   3.728   6.660 -11.138
  190   HG23  VAL  24          HG23      VAL  24   2.583   5.585 -10.335
  191    H    ASP  25           H        ASP  25   7.360   7.107  -8.399
  192    HA   ASP  25           HA       ASP  25   9.129   4.836  -7.743
  193    HB2  ASP  25           HB3      ASP  25  10.006   7.184  -7.992
  194    HB3  ASP  25           HB2      ASP  25   9.081   7.628  -6.556
  195    H    VAL  26           H        VAL  26   8.513   3.429  -6.165
  196    HA   VAL  26           HA       VAL  26   6.300   4.042  -4.382
  197    HB   VAL  26           HB       VAL  26   6.706   1.814  -3.475
  198   HG11  VAL  26          HG11      VAL  26   6.763   0.527  -5.691
  199   HG12  VAL  26          HG12      VAL  26   6.964   2.095  -6.472
  200   HG13  VAL  26          HG13      VAL  26   5.510   1.756  -5.533
  201   HG21  VAL  26          HG21      VAL  26   9.297   2.051  -5.019
  202   HG22  VAL  26          HG22      VAL  26   8.670   0.507  -4.443
  203   HG23  VAL  26          HG23      VAL  26   9.096   1.771  -3.290
  204    H    ASP  27           H        ASP  27   9.368   5.158  -4.354
  205    HA   ASP  27           HA       ASP  27   9.904   4.808  -1.478
  206    HB2  ASP  27           HB3      ASP  27  11.335   6.340  -3.670
  207    HB3  ASP  27           HB2      ASP  27  11.885   6.268  -1.999
  208    H    LEU  28           H        LEU  28   8.115   6.873  -3.467
  209    HA   LEU  28           HA       LEU  28   8.354   9.193  -1.635
  210    HB2  LEU  28           HB3      LEU  28   8.324   9.557  -4.103
  211    HB3  LEU  28           HB2      LEU  28   6.707   8.868  -4.162
  212    HG   LEU  28           HG       LEU  28   5.993  10.636  -2.494
  213   HD11  LEU  28          HD11      LEU  28   8.840  11.466  -2.992
  214   HD12  LEU  28          HD12      LEU  28   7.938  11.432  -1.477
  215   HD13  LEU  28          HD13      LEU  28   7.621  12.696  -2.663
  216   HD21  LEU  28          HD21      LEU  28   5.671  12.298  -4.181
  217   HD22  LEU  28          HD22      LEU  28   5.724  10.756  -5.036
  218   HD23  LEU  28          HD23      LEU  28   7.136  11.814  -5.036
  219    H    ASP  29           H        ASP  29   6.725   9.722  -0.189
  220    HA   ASP  29           HA       ASP  29   4.871   7.716   0.594
  221    HB2  ASP  29           HB3      ASP  29   4.837  10.710   1.101
  222    HB3  ASP  29           HB2      ASP  29   3.780   9.555   1.915
  223    H    LEU  30           H        LEU  30   2.857   7.247  -0.065
  224    HA   LEU  30           HA       LEU  30   1.874   8.223  -2.566
  225    HB2  LEU  30           HB3      LEU  30   1.442   5.980  -1.208
  226    HB3  LEU  30           HB2      LEU  30   0.061   6.887  -0.598
  227    HG   LEU  30           HG       LEU  30   0.711   6.512  -3.530
  228   HD11  LEU  30          HD11      LEU  30  -0.270   4.500  -3.354
  229   HD12  LEU  30          HD12      LEU  30  -1.741   5.291  -2.787
  230   HD13  LEU  30          HD13      LEU  30  -0.525   4.752  -1.628
  231   HD21  LEU  30          HD21      LEU  30  -0.588   8.416  -3.518
  232   HD22  LEU  30          HD22      LEU  30  -1.351   8.013  -1.981
  233   HD23  LEU  30          HD23      LEU  30  -1.874   7.212  -3.462
  234    H    VAL  31           H        VAL  31   1.027   8.950   0.800
  235    HA   VAL  31           HA       VAL  31  -1.301  10.497   0.226
  236    HB   VAL  31           HB       VAL  31   0.635  10.634   2.544
  237   HG11  VAL  31          HG11      VAL  31  -1.778  11.640   3.407
  238   HG12  VAL  31          HG12      VAL  31  -1.663  12.306   1.777
  239   HG13  VAL  31          HG13      VAL  31  -0.386  12.623   2.952
  240   HG21  VAL  31          HG21      VAL  31  -1.405   8.801   1.756
  241   HG22  VAL  31          HG22      VAL  31  -2.007   9.696   3.152
  242   HG23  VAL  31          HG23      VAL  31  -0.485   8.812   3.261
  243    H    ASP  32           H        ASP  32   2.127  11.371   0.297
  244    HA   ASP  32           HA       ASP  32   1.897  14.177   0.293
  245    HB2  ASP  32           HB3      ASP  32   4.053  12.840   0.267
  246    HB3  ASP  32           HB2      ASP  32   3.807  12.608  -1.465
  247    H    ASN  33           H        ASN  33   1.313  11.833  -2.249
  248    HA   ASN  33           HA       ASN  33   1.006  13.744  -4.392
  249    HB2  ASN  33           HB3      ASN  33   0.055  10.907  -4.016
  250    HB3  ASN  33           HB2      ASN  33  -0.176  11.810  -5.507
  251   HD21  ASN  33          HD22      ASN  33   2.301  13.185  -5.667
  252   HD22  ASN  33          HD21      ASN  33   3.553  12.053  -5.852
  253    H    GLY  34           H        GLY  34  -1.179  12.308  -2.020
  254    HA2  GLY  34           HA3      GLY  34  -3.252  13.239  -1.288
  255    HA3  GLY  34           HA2      GLY  34  -3.182  14.383  -2.633
  256    H    VAL  35           H        VAL  35  -2.454  11.321  -3.746
  257    HA   VAL  35           HA       VAL  35  -4.799  11.111  -5.358
  258    HB   VAL  35           HB       VAL  35  -2.757   9.023  -4.542
  259   HG11  VAL  35          HG11      VAL  35  -4.395   7.606  -5.295
  260   HG12  VAL  35          HG12      VAL  35  -3.785   8.111  -6.871
  261   HG13  VAL  35          HG13      VAL  35  -5.223   8.877  -6.196
  262   HG21  VAL  35          HG21      VAL  35  -1.470   9.916  -6.167
  263   HG22  VAL  35          HG22      VAL  35  -2.618  11.252  -6.260
  264   HG23  VAL  35          HG23      VAL  35  -2.802   9.854  -7.321
  265    H    ILE  36           H        ILE  36  -3.970   9.801  -2.186
  266    HA   ILE  36           HA       ILE  36  -6.439   8.204  -2.082
  267    HB   ILE  36           HB       ILE  36  -4.377   8.795   0.063
  268   HG12  ILE  36          HG13      ILE  36  -4.759   6.303  -1.619
  269   HG13  ILE  36          HG12      ILE  36  -3.576   7.550  -1.981
  270   HG21  ILE  36          HG21      ILE  36  -5.770   7.731   1.469
  271   HG22  ILE  36          HG22      ILE  36  -5.773   6.330   0.399
  272   HG23  ILE  36          HG23      ILE  36  -6.969   7.606   0.182
  273   HD11  ILE  36          HD11      ILE  36  -3.644   5.618   0.309
  274   HD12  ILE  36          HD12      ILE  36  -2.861   7.181   0.536
  275   HD13  ILE  36          HD13      ILE  36  -2.283   6.081  -0.715
  276    H    ASP  37           H        ASP  37  -8.322   9.165  -1.610
  277    HA   ASP  37           HA       ASP  37  -8.315  11.584   0.136
  278    HB2  ASP  37           HB3      ASP  37 -10.207  10.702  -2.061
  279    HB3  ASP  37           HB2      ASP  37 -10.526  12.053  -0.980
  280    H    ALA  38           H        ALA  38 -11.047  11.587   0.741
  281    HA   ALA  38           HA       ALA  38 -11.170   9.681   2.883
  282    HB1  ALA  38           HB1      ALA  38 -12.517  11.977   2.321
  283    HB2  ALA  38           HB2      ALA  38 -13.069  10.795   3.509
  284    HB3  ALA  38           HB3      ALA  38 -13.732  10.780   1.874
  285    H    LEU  39           H        LEU  39 -13.023   9.885  -0.161
  286    HA   LEU  39           HA       LEU  39 -14.177   7.255   0.136
  287    HB2  LEU  39           HB3      LEU  39 -13.752   8.848  -2.404
  288    HB3  LEU  39           HB2      LEU  39 -14.893   7.530  -2.176
  289    HG   LEU  39           HG       LEU  39 -14.948  10.232  -0.829
  290   HD11  LEU  39          HD11      LEU  39 -17.329   9.198  -2.202
  291   HD12  LEU  39          HD12      LEU  39 -15.947   9.440  -3.272
  292   HD13  LEU  39          HD13      LEU  39 -16.569  10.785  -2.314
  293   HD21  LEU  39          HD21      LEU  39 -15.688   8.803   0.874
  294   HD22  LEU  39          HD22      LEU  39 -16.400   7.659  -0.265
  295   HD23  LEU  39          HD23      LEU  39 -17.195   9.203   0.047
  296    H    GLY  40           H        GLY  40 -11.286   8.623  -1.265
  297    HA2  GLY  40           HA3      GLY  40 -10.392   6.390  -2.767
  298    HA3  GLY  40           HA2      GLY  40  -9.335   7.608  -2.042
  299    H    LEU  41           H        LEU  41 -10.047   7.233   0.657
  300    HA   LEU  41           HA       LEU  41  -8.381   5.010   1.370
  301    HB2  LEU  41           HB3      LEU  41  -8.696   7.020   2.793
  302    HB3  LEU  41           HB2      LEU  41 -10.373   6.547   3.065
  303    HG   LEU  41           HG       LEU  41  -8.383   4.433   3.607
  304   HD11  LEU  41          HD11      LEU  41  -8.505   7.012   5.185
  305   HD12  LEU  41          HD12      LEU  41  -7.079   6.227   4.508
  306   HD13  LEU  41          HD13      LEU  41  -7.915   5.503   5.882
  307   HD21  LEU  41          HD21      LEU  41  -9.923   3.847   5.273
  308   HD22  LEU  41          HD22      LEU  41 -10.967   4.586   4.059
  309   HD23  LEU  41          HD23      LEU  41 -10.478   5.509   5.479
  310    H    LEU  42           H        LEU  42 -11.893   5.503   1.313
  311    HA   LEU  42           HA       LEU  42 -12.654   3.007   2.455
  312    HB2  LEU  42           HB3      LEU  42 -14.247   4.852   2.040
  313    HB3  LEU  42           HB2      LEU  42 -14.043   4.640   0.302
  314    HG   LEU  42           HG       LEU  42 -14.696   2.105   1.014
  315   HD11  LEU  42          HD11      LEU  42 -16.484   3.785   2.759
  316   HD12  LEU  42          HD12      LEU  42 -15.010   3.065   3.402
  317   HD13  LEU  42          HD13      LEU  42 -16.283   2.032   2.752
  318   HD21  LEU  42          HD21      LEU  42 -15.840   3.125  -0.764
  319   HD22  LEU  42          HD22      LEU  42 -16.377   4.477   0.237
  320   HD23  LEU  42          HD23      LEU  42 -17.108   2.885   0.441
  321    H    LYS  43           H        LYS  43 -12.078   3.949  -0.917
  322    HA   LYS  43           HA       LYS  43 -12.651   1.433  -2.086
  323    HB2  LYS  43           HB3      LYS  43 -10.720   3.588  -2.957
  324    HB3  LYS  43           HB2      LYS  43 -11.200   2.227  -3.963
  325    HG2  LYS  43           HG3      LYS  43 -13.577   2.946  -3.737
  326    HG3  LYS  43           HG2      LYS  43 -13.033   4.360  -2.836
  327    HD2  LYS  43           HD3      LYS  43 -11.620   5.011  -4.797
  328    HD3  LYS  43           HD2      LYS  43 -12.313   3.660  -5.696
  329    HE2  LYS  43           HE3      LYS  43 -13.925   5.119  -6.327
  330    HE3  LYS  43           HE2      LYS  43 -14.553   4.931  -4.690
  331    HZ1  LYS  43           HZ1      LYS  43 -13.310   6.814  -3.971
  332    HZ2  LYS  43           HZ2      LYS  43 -14.164   7.268  -5.364
  333    HZ3  LYS  43           HZ3      LYS  43 -12.502   6.932  -5.460
  334    H    VAL  44           H        VAL  44  -9.722   2.696  -0.594
  335    HA   VAL  44           HA       VAL  44  -7.926   0.659  -1.408
  336    HB   VAL  44           HB       VAL  44  -8.003   2.297   1.132
  337   HG11  VAL  44          HG11      VAL  44  -6.139   0.193   0.139
  338   HG12  VAL  44          HG12      VAL  44  -6.543   0.645   1.795
  339   HG13  VAL  44          HG13      VAL  44  -5.416   1.629   0.863
  340   HG21  VAL  44          HG21      VAL  44  -6.703   3.852   0.007
  341   HG22  VAL  44          HG22      VAL  44  -7.672   3.249  -1.337
  342   HG23  VAL  44          HG23      VAL  44  -6.031   2.648  -1.093
  343    H    ILE  45           H        ILE  45 -10.093   0.853   1.397
  344    HA   ILE  45           HA       ILE  45  -9.280  -1.631   2.560
  345    HB   ILE  45           HB       ILE  45 -12.001  -0.346   2.801
  346   HG12  ILE  45          HG13      ILE  45 -10.559   1.462   3.270
  347   HG13  ILE  45          HG12      ILE  45 -10.846   0.747   4.850
  348   HG21  ILE  45          HG21      ILE  45 -10.300  -2.102   4.579
  349   HG22  ILE  45          HG22      ILE  45 -11.849  -2.511   3.846
  350   HG23  ILE  45          HG23      ILE  45 -11.770  -1.296   5.122
  351   HD11  ILE  45          HD11      ILE  45  -8.727  -0.606   4.507
  352   HD12  ILE  45          HD12      ILE  45  -8.491   1.129   4.708
  353   HD13  ILE  45          HD13      ILE  45  -8.406   0.411   3.102
  354    H    ALA  46           H        ALA  46 -11.890  -0.827   0.271
  355    HA   ALA  46           HA       ALA  46 -13.131  -3.401   0.328
  356    HB1  ALA  46           HB1      ALA  46 -13.806  -2.538  -2.121
  357    HB2  ALA  46           HB2      ALA  46 -13.217  -1.020  -1.444
  358    HB3  ALA  46           HB3      ALA  46 -14.533  -1.886  -0.652
  359    H    TRP  47           H        TRP  47 -10.763  -2.088  -2.056
  360    HA   TRP  47           HA       TRP  47 -10.694  -4.666  -3.425
  361    HB2  TRP  47           HB3      TRP  47  -9.907  -3.346  -5.060
  362    HB3  TRP  47           HB2      TRP  47  -9.701  -2.010  -3.927
  363    HD1  TRP  47           HD1      TRP  47  -7.830  -5.293  -4.824
  364    HE1  TRP  47           HE1      TRP  47  -5.299  -4.841  -4.609
  365    HE3  TRP  47           HE3      TRP  47  -7.950  -0.453  -3.297
  366    HZ2  TRP  47           HZ2      TRP  47  -3.557  -2.684  -3.877
  367    HZ3  TRP  47           HZ3      TRP  47  -5.852   0.793  -2.839
  368    HH2  TRP  47           HH2      TRP  47  -3.655  -0.318  -3.133
  369    H    LEU  48           H        LEU  48  -8.398  -2.909  -1.322
  370    HA   LEU  48           HA       LEU  48  -6.342  -4.837  -1.443
  371    HB2  LEU  48           HB3      LEU  48  -6.074  -2.589  -0.430
  372    HB3  LEU  48           HB2      LEU  48  -7.117  -3.063   0.902
  373    HG   LEU  48           HG       LEU  48  -4.615  -3.166   1.360
  374   HD11  LEU  48          HD11      LEU  48  -5.502  -5.947   1.752
  375   HD12  LEU  48          HD12      LEU  48  -6.656  -4.736   2.309
  376   HD13  LEU  48          HD13      LEU  48  -5.013  -4.741   2.936
  377   HD21  LEU  48          HD21      LEU  48  -4.679  -5.740  -0.205
  378   HD22  LEU  48          HD22      LEU  48  -3.282  -4.842   0.389
  379   HD23  LEU  48          HD23      LEU  48  -4.211  -4.221  -0.973
  380    H    GLU  49           H        GLU  49  -9.127  -4.647   0.793
  381    HA   GLU  49           HA       GLU  49  -8.340  -6.989   2.277
  382    HB2  GLU  49           HB3      GLU  49 -10.464  -6.832   3.335
  383    HB3  GLU  49           HB2      GLU  49  -9.982  -5.172   3.015
  384    HG2  GLU  49           HG3      GLU  49 -12.146  -5.136   2.194
  385    HG3  GLU  49           HG2      GLU  49 -11.261  -5.596   0.743
  386    H    ASP  50           H        ASP  50 -10.388  -6.459  -0.567
  387    HA   ASP  50           HA       ASP  50 -11.477  -9.094  -0.723
  388    HB2  ASP  50           HB3      ASP  50 -12.234  -7.090  -2.042
  389    HB3  ASP  50           HB2      ASP  50 -10.794  -7.283  -3.038
  390    H    ARG  51           H        ARG  51  -8.447  -7.732  -1.941
  391    HA   ARG  51           HA       ARG  51  -7.650  -9.910  -3.566
  392    HB2  ARG  51           HB3      ARG  51  -6.081  -7.841  -2.047
  393    HB3  ARG  51           HB2      ARG  51  -5.311  -9.023  -3.099
  394    HG2  ARG  51           HG3      ARG  51  -7.631  -7.457  -4.157
  395    HG3  ARG  51           HG2      ARG  51  -6.054  -6.670  -4.056
  396    HD2  ARG  51           HD3      ARG  51  -5.098  -8.074  -5.623
  397    HD3  ARG  51           HD2      ARG  51  -6.180  -9.412  -5.240
  398    HE   ARG  51           HE       ARG  51  -7.840  -7.481  -6.356
  399   HH11  ARG  51          HH22      ARG  51  -4.943  -9.135  -7.222
  400   HH12  ARG  51          HH21      ARG  51  -5.267  -9.092  -8.923
  401   HH21  ARG  51          HH11      ARG  51  -8.283  -7.414  -8.571
  402   HH22  ARG  51          HH12      ARG  51  -7.159  -8.117  -9.687
  403    H    PHE  52           H        PHE  52  -7.168  -9.410  -0.061
  404    HA   PHE  52           HA       PHE  52  -5.727 -11.994   0.036
  405    HB2  PHE  52           HB3      PHE  52  -6.182  -9.814   2.087
  406    HB3  PHE  52           HB2      PHE  52  -5.370 -11.335   2.447
  407    HD1  PHE  52           HD2      PHE  52  -5.215  -8.245   0.407
  408    HD2  PHE  52           HD1      PHE  52  -3.141 -11.791   1.663
  409    HE1  PHE  52           HE2      PHE  52  -3.108  -7.355  -0.555
  410    HE2  PHE  52           HE1      PHE  52  -1.036 -10.903   0.697
  411    HZ   PHE  52           HZ       PHE  52  -1.020  -8.684  -0.411
  412    H    GLY  53           H        GLY  53  -8.892 -10.897   0.288
  413    HA2  GLY  53           HA3      GLY  53 -10.838 -12.064   0.899
  414    HA3  GLY  53           HA2      GLY  53  -9.821 -13.477   1.204
  415    H    ILE  54           H        ILE  54  -9.227 -10.363   2.692
  416    HA   ILE  54           HA       ILE  54  -9.869 -11.614   5.319
  417    HB   ILE  54           HB       ILE  54  -8.290  -9.990   6.273
  418   HG12  ILE  54          HG13      ILE  54  -7.991  -9.085   3.389
  419   HG13  ILE  54          HG12      ILE  54  -8.713  -8.146   4.696
  420   HG21  ILE  54          HG21      ILE  54  -7.435 -12.150   5.416
  421   HG22  ILE  54          HG22      ILE  54  -6.240 -10.867   5.224
  422   HG23  ILE  54          HG23      ILE  54  -7.179 -11.414   3.835
  423   HD11  ILE  54          HD11      ILE  54  -6.534  -8.287   5.925
  424   HD12  ILE  54          HD12      ILE  54  -6.418  -7.413   4.397
  425   HD13  ILE  54          HD13      ILE  54  -5.835  -9.075   4.510
  426    H    ALA  55           H        ALA  55 -10.982 -10.319   6.900
  427    HA   ALA  55           HA       ALA  55 -12.712  -8.234   5.654
  428    HB1  ALA  55           HB1      ALA  55 -14.393  -8.857   7.123
  429    HB2  ALA  55           HB2      ALA  55 -13.256  -9.377   8.367
  430    HB3  ALA  55           HB3      ALA  55 -13.547 -10.396   6.958
  431    H    ALA  56           H        ALA  56 -13.142  -6.280   6.904
  432    HA   ALA  56           HA       ALA  56 -10.819  -5.058   7.982
  433    HB1  ALA  56           HB1      ALA  56 -13.412  -4.239   7.340
  434    HB2  ALA  56           HB2      ALA  56 -12.125  -3.212   7.971
  435    HB3  ALA  56           HB3      ALA  56 -13.287  -3.948   9.074
  436    H    ASP  57           H        ASP  57 -13.243  -7.080   9.461
  437    HA   ASP  57           HA       ASP  57 -13.443  -7.940  11.612
  438    HB2  ASP  57           HB3      ASP  57 -11.072  -8.578  11.168
  439    HB3  ASP  57           HB2      ASP  57 -10.569  -7.050  11.876
  440    H    ASP  58           H        ASP  58 -14.301  -5.290  11.152
  441    HA   ASP  58           HA       ASP  58 -14.921  -3.365  12.324
  442    HB2  ASP  58           HB3      ASP  58 -14.368  -5.295  14.568
  443    HB3  ASP  58           HB2      ASP  58 -15.097  -3.710  14.821
  444    H    VAL  59           H        VAL  59 -12.277  -3.287  11.427
  445    HA   VAL  59           HA       VAL  59 -10.903  -1.889  13.690
  446    HB   VAL  59           HB       VAL  59  -9.618  -3.306  11.348
  447   HG11  VAL  59          HG11      VAL  59  -8.504  -1.874  13.773
  448   HG12  VAL  59          HG12      VAL  59  -8.258  -1.450  12.078
  449   HG13  VAL  59          HG13      VAL  59  -7.539  -2.922  12.732
  450   HG21  VAL  59          HG21      VAL  59  -8.773  -4.814  13.233
  451   HG22  VAL  59          HG22      VAL  59 -10.478  -4.981  12.819
  452   HG23  VAL  59          HG23      VAL  59 -10.005  -4.066  14.250
  453    H    GLU  60           H        GLU  60 -10.348   0.227  13.294
  454    HA   GLU  60           HA       GLU  60 -11.001   1.280  10.584
  455    HB2  GLU  60           HB3      GLU  60 -12.129   2.295  12.579
  456    HB3  GLU  60           HB2      GLU  60 -10.550   2.811  13.159
  457    HG2  GLU  60           HG3      GLU  60 -10.220   4.062  11.040
  458    HG3  GLU  60           HG2      GLU  60 -11.851   3.615  10.555
  459    H    LEU  61           H        LEU  61  -9.392   2.077   9.298
  460    HA   LEU  61           HA       LEU  61  -6.632   2.005  10.352
  461    HB2  LEU  61           HB3      LEU  61  -7.623   2.416   7.516
  462    HB3  LEU  61           HB2      LEU  61  -5.967   2.098   8.010
  463    HG   LEU  61           HG       LEU  61  -8.318   0.232   8.330
  464   HD11  LEU  61          HD11      LEU  61  -7.579  -0.836   6.468
  465   HD12  LEU  61          HD12      LEU  61  -5.887  -0.645   6.925
  466   HD13  LEU  61          HD13      LEU  61  -6.738   0.675   6.123
  467   HD21  LEU  61          HD21      LEU  61  -5.529   0.218   9.437
  468   HD22  LEU  61          HD22      LEU  61  -6.284  -1.317   9.005
  469   HD23  LEU  61          HD23      LEU  61  -7.036  -0.273  10.210
  470    H    SER  62           H        SER  62  -5.268   3.853  10.258
  471    HA   SER  62           HA       SER  62  -6.749   6.424  10.013
  472    HB2  SER  62           HB3      SER  62  -5.722   6.860  11.976
  473    HB3  SER  62           HB2      SER  62  -4.729   5.412  11.836
  474    HG   SER  62           HG       SER  62  -3.340   6.603  10.465
  475    HA   PRO  63           HA       PRO  63  -4.711   7.725   6.359
  476    HB2  PRO  63           HB2      PRO  63  -3.473  10.090   7.371
  477    HB3  PRO  63           HB3      PRO  63  -5.018   9.969   6.513
  478    HG2  PRO  63           HG3      PRO  63  -4.480  10.229   9.391
  479    HG3  PRO  63           HG2      PRO  63  -5.919  10.671   8.462
  480    HD2  PRO  63           HD3      PRO  63  -5.857   8.521  10.137
  481    HD3  PRO  63           HD2      PRO  63  -6.872   8.571   8.678
  482    H    GLU  64           H        GLU  64  -2.959   7.369   9.323
  483    HA   GLU  64           HA       GLU  64  -0.289   7.706   8.314
  484    HB2  GLU  64           HB3      GLU  64  -0.831   7.785  10.723
  485    HB3  GLU  64           HB2      GLU  64  -1.280   6.088  10.667
  486    HG2  GLU  64           HG3      GLU  64   1.004   5.517   9.942
  487    HG3  GLU  64           HG2      GLU  64   1.452   7.215  10.060
  488    H    HIS  65           H        HIS  65  -2.542   5.021   8.434
  489    HA   HIS  65           HA       HIS  65  -0.651   2.965   7.801
  490    HB2  HIS  65           HB3      HIS  65  -2.666   2.087   8.541
  491    HB3  HIS  65           HB2      HIS  65  -3.621   3.263   7.642
  492    HD1  HIS  65           HD1      HIS  65  -2.531  -0.186   7.504
  493    HD2  HIS  65           HD2      HIS  65  -3.436   2.743   4.677
  494    HE1  HIS  65           HE1      HIS  65  -2.950  -1.400   5.318
  495    HE2  HIS  65           HE2      HIS  65  -3.493   0.374   3.592
  496    H    PHE  66           H        PHE  66  -2.035   5.502   6.001
  497    HA   PHE  66           HA       PHE  66  -1.361   4.203   3.416
  498    HB2  PHE  66           HB3      PHE  66  -2.727   6.871   3.822
  499    HB3  PHE  66           HB2      PHE  66  -2.731   5.861   2.379
  500    HD1  PHE  66           HD1      PHE  66  -3.708   5.763   5.996
  501    HD2  PHE  66           HD2      PHE  66  -4.505   4.371   2.013
  502    HE1  PHE  66           HE1      PHE  66  -5.741   4.612   6.811
  503    HE2  PHE  66           HE2      PHE  66  -6.541   3.215   2.832
  504    HZ   PHE  66           HZ       PHE  66  -7.155   3.344   5.231
  505    H    ARG  67           H        ARG  67   0.350   5.564   5.620
  506    HA   ARG  67           HA       ARG  67   1.514   7.941   4.828
  507    HB2  ARG  67           HB3      ARG  67   3.559   7.111   5.915
  508    HB3  ARG  67           HB2      ARG  67   2.133   6.655   6.842
  509    HG2  ARG  67           HG3      ARG  67   2.339   4.527   5.159
  510    HG3  ARG  67           HG2      ARG  67   4.036   4.955   5.342
  511    HD2  ARG  67           HD3      ARG  67   3.277   5.085   7.934
  512    HD3  ARG  67           HD2      ARG  67   2.118   3.892   7.351
  513    HE   ARG  67           HE       ARG  67   4.704   3.167   6.406
  514   HH11  ARG  67          HH22      ARG  67   2.838   3.464   9.290
  515   HH12  ARG  67          HH21      ARG  67   3.678   2.200  10.123
  516   HH21  ARG  67          HH11      ARG  67   5.812   1.512   7.478
  517   HH22  ARG  67          HH12      ARG  67   5.361   1.094   9.097
  518    H    SER  68           H        SER  68   2.098   4.711   3.438
  519    HA   SER  68           HA       SER  68   2.973   5.924   0.950
  520    HB2  SER  68           HB3      SER  68   5.249   5.110   0.935
  521    HB3  SER  68           HB2      SER  68   5.036   6.077   2.390
  522    HG   SER  68           HG       SER  68   4.613   3.280   2.348
  523    H    ILE  69           H        ILE  69   3.369   4.278  -0.712
  524    HA   ILE  69           HA       ILE  69   1.546   2.120  -0.638
  525    HB   ILE  69           HB       ILE  69   4.068   2.272  -2.313
  526   HG12  ILE  69          HG13      ILE  69   2.019   3.294  -3.842
  527   HG13  ILE  69          HG12      ILE  69   1.655   3.959  -2.252
  528   HG21  ILE  69          HG21      ILE  69   1.329   1.142  -2.924
  529   HG22  ILE  69          HG22      ILE  69   2.681   0.173  -2.338
  530   HG23  ILE  69          HG23      ILE  69   2.787   0.981  -3.902
  531   HD11  ILE  69          HD11      ILE  69   3.111   5.570  -3.093
  532   HD12  ILE  69          HD12      ILE  69   4.078   4.384  -3.968
  533   HD13  ILE  69          HD13      ILE  69   4.227   4.525  -2.216
  534    H    ARG  70           H        ARG  70   4.953   2.378   0.188
  535    HA   ARG  70           HA       ARG  70   5.608  -0.365   0.474
  536    HB2  ARG  70           HB3      ARG  70   6.528   1.968   2.187
  537    HB3  ARG  70           HB2      ARG  70   7.362   0.426   2.001
  538    HG2  ARG  70           HG3      ARG  70   8.017   0.894  -0.187
  539    HG3  ARG  70           HG2      ARG  70   6.721   2.067  -0.431
  540    HD2  ARG  70           HD3      ARG  70   8.852   3.244  -0.182
  541    HD3  ARG  70           HD2      ARG  70   7.822   3.587   1.206
  542    HE   ARG  70           HE       ARG  70   9.602   1.319   1.646
  543   HH11  ARG  70          HH22      ARG  70   9.222   4.744   1.665
  544   HH12  ARG  70          HH21      ARG  70  10.466   5.009   2.841
  545   HH21  ARG  70          HH11      ARG  70  11.229   1.645   3.181
  546   HH22  ARG  70          HH12      ARG  70  11.602   3.255   3.699
  547    H    SER  71           H        SER  71   4.133   1.925   2.745
  548    HA   SER  71           HA       SER  71   3.990   0.135   4.977
  549    HB2  SER  71           HB3      SER  71   3.678   2.669   4.990
  550    HB3  SER  71           HB2      SER  71   2.051   2.379   4.384
  551    HG   SER  71           HG       SER  71   1.551   2.043   6.391
  552    H    ILE  72           H        ILE  72   1.742   0.814   2.306
  553    HA   ILE  72           HA       ILE  72  -0.481  -0.631   3.284
  554    HB   ILE  72           HB       ILE  72   0.452  -0.332   0.414
  555   HG12  ILE  72          HG13      ILE  72  -1.423   1.396   2.065
  556   HG13  ILE  72          HG12      ILE  72   0.240   1.822   1.660
  557   HG21  ILE  72          HG21      ILE  72  -2.386  -0.314   0.788
  558   HG22  ILE  72          HG22      ILE  72  -1.723  -1.742   1.580
  559   HG23  ILE  72          HG23      ILE  72  -1.410  -1.459  -0.131
  560   HD11  ILE  72          HD11      ILE  72  -2.173   1.952  -0.002
  561   HD12  ILE  72          HD12      ILE  72  -0.827   1.137  -0.798
  562   HD13  ILE  72          HD13      ILE  72  -0.629   2.783  -0.196
  563    H    ASP  73           H        ASP  73   2.155  -1.756   1.130
  564    HA   ASP  73           HA       ASP  73   1.282  -4.478   1.037
  565    HB2  ASP  73           HB3      ASP  73   3.070  -3.322  -0.412
  566    HB3  ASP  73           HB2      ASP  73   4.173  -3.601   0.932
  567    H    ALA  74           H        ALA  74   3.460  -2.735   3.209
  568    HA   ALA  74           HA       ALA  74   4.264  -5.006   4.763
  569    HB1  ALA  74           HB1      ALA  74   4.763  -2.213   4.724
  570    HB2  ALA  74           HB2      ALA  74   5.604  -3.443   5.667
  571    HB3  ALA  74           HB3      ALA  74   4.205  -2.611   6.350
  572    H    PHE  75           H        PHE  75   1.561  -2.728   5.044
  573    HA   PHE  75           HA       PHE  75   0.655  -3.532   7.617
  574    HB2  PHE  75           HB3      PHE  75  -0.195  -1.545   6.363
  575    HB3  PHE  75           HB2      PHE  75  -1.048  -2.646   5.285
  576    HD1  PHE  75           HD2      PHE  75  -0.848  -1.347   8.735
  577    HD2  PHE  75           HD1      PHE  75  -3.018  -3.863   6.012
  578    HE1  PHE  75           HE2      PHE  75  -2.722  -1.483  10.354
  579    HE2  PHE  75           HE1      PHE  75  -4.891  -3.999   7.631
  580    HZ   PHE  75           HZ       PHE  75  -4.743  -2.810   9.803
  581    H    VAL  76           H        VAL  76  -0.321  -4.727   4.385
  582    HA   VAL  76           HA       VAL  76  -2.100  -6.738   5.393
  583    HB   VAL  76           HB       VAL  76  -0.576  -6.553   2.780
  584   HG11  VAL  76          HG11      VAL  76  -2.941  -8.002   2.444
  585   HG12  VAL  76          HG12      VAL  76  -2.241  -8.630   3.934
  586   HG13  VAL  76          HG13      VAL  76  -1.303  -8.653   2.442
  587   HG21  VAL  76          HG21      VAL  76  -2.033  -4.847   2.453
  588   HG22  VAL  76          HG22      VAL  76  -2.987  -5.284   3.871
  589   HG23  VAL  76          HG23      VAL  76  -3.271  -6.097   2.332
  590    H    VAL  77           H        VAL  77   1.306  -6.884   4.305
  591    HA   VAL  77           HA       VAL  77   1.629  -9.681   4.835
  592    HB   VAL  77           HB       VAL  77   3.678  -7.444   4.771
  593   HG11  VAL  77          HG11      VAL  77   3.980 -10.444   4.484
  594   HG12  VAL  77          HG12      VAL  77   4.516  -9.481   5.861
  595   HG13  VAL  77          HG13      VAL  77   5.272  -9.262   4.283
  596   HG21  VAL  77          HG21      VAL  77   2.031  -8.293   2.734
  597   HG22  VAL  77          HG22      VAL  77   3.450  -9.316   2.508
  598   HG23  VAL  77          HG23      VAL  77   3.619  -7.561   2.501
  599    H    GLY  78           H        GLY  78   2.208  -6.761   6.756
  600    HA2  GLY  78           HA3      GLY  78   3.459  -7.981   8.990
  601    HA3  GLY  78           HA2      GLY  78   2.545  -6.479   9.052
  602    H    ALA  79           H        ALA  79   0.025  -7.576   8.192
  603    HA   ALA  79           HA       ALA  79  -0.924  -8.539  10.750
  604    HB1  ALA  79           HB1      ALA  79  -2.405  -7.164   9.470
  605    HB2  ALA  79           HB2      ALA  79  -3.115  -8.779   9.490
  606    HB3  ALA  79           HB3      ALA  79  -2.256  -8.210   8.058
  607    H    THR  80           H        THR  80  -0.464 -10.103   7.577
  608    HA   THR  80           HA       THR  80  -1.432 -12.663   8.628
  609    HB   THR  80           HB       THR  80  -0.979 -13.525   6.406
  610    HG1  THR  80           HG1      THR  80   1.034 -12.442   6.156
  611   HG21  THR  80          HG21      THR  80  -2.991 -12.150   6.612
  612   HG22  THR  80          HG22      THR  80  -2.253 -11.887   5.033
  613   HG23  THR  80          HG23      THR  80  -2.049 -10.690   6.311
  614    H    THR  81           H        THR  81   1.645 -11.149   7.858
  615    HA   THR  81           HA       THR  81   2.998 -13.364   9.302
  616    HB   THR  81           HB       THR  81   4.894 -12.633   7.531
  617    HG1  THR  81           HG1      THR  81   2.725 -12.715   5.829
  618   HG21  THR  81          HG21      THR  81   4.247 -14.633   6.235
  619   HG22  THR  81          HG22      THR  81   2.666 -14.615   7.019
  620   HG23  THR  81          HG23      THR  81   4.119 -14.926   7.970
  621    HA   PRO  82           HA       PRO  82   4.958 -10.338  11.849
  622    HB2  PRO  82           HB2      PRO  82   7.573 -11.339  10.825
  623    HB3  PRO  82           HB3      PRO  82   7.032 -11.119  12.497
  624    HG2  PRO  82           HG3      PRO  82   7.165 -13.533  11.288
  625    HG3  PRO  82           HG2      PRO  82   6.015 -13.147  12.577
  626    HD2  PRO  82           HD3      PRO  82   5.493 -13.620   9.720
  627    HD3  PRO  82           HD2      PRO  82   4.358 -13.610  11.086
  628    HA   PRO  83           HA       PRO  83   5.670  -7.017   8.967
  629    HB2  PRO  83           HB2      PRO  83   7.158  -5.343  10.641
  630    HB3  PRO  83           HB3      PRO  83   5.395  -5.375  10.490
  631    HG2  PRO  83           HG3      PRO  83   7.133  -6.504  12.583
  632    HG3  PRO  83           HG2      PRO  83   5.459  -5.940  12.684
  633    HD2  PRO  83           HD3      PRO  83   6.180  -8.595  12.676
  634    HD3  PRO  83           HD2      PRO  83   4.596  -8.000  12.135
  635    H    VAL  84           H        VAL  84   7.219  -6.464   7.495
  636    HA   VAL  84           HA       VAL  84   9.962  -7.543   7.967
  637    HB   VAL  84           HB       VAL  84   8.643  -6.720   5.360
  638   HG11  VAL  84          HG11      VAL  84  10.629  -8.337   4.622
  639   HG12  VAL  84          HG12      VAL  84  11.332  -7.772   6.138
  640   HG13  VAL  84          HG13      VAL  84  10.902  -6.614   4.879
  641   HG21  VAL  84          HG21      VAL  84   9.295  -9.557   5.956
  642   HG22  VAL  84          HG22      VAL  84   7.920  -8.879   5.084
  643   HG23  VAL  84          HG23      VAL  84   7.933  -8.877   6.848
  644    H    GLU  85           H        GLU  85  11.600  -6.098   8.253
  645    HA   GLU  85           HA       GLU  85  12.516  -3.947   8.679
  646    HB2  GLU  85           HB3      GLU  85  11.692  -3.781   5.763
  647    HB3  GLU  85           HB2      GLU  85  12.872  -2.728   6.546
  648    HG2  GLU  85           HG3      GLU  85  14.239  -4.724   7.118
  649    HG3  GLU  85           HG2      GLU  85  13.085  -5.739   6.251
  650    H    ALA  86           H        ALA  86   9.775  -4.038   9.502
  651    HA   ALA  86           HA       ALA  86   8.072  -2.069   8.476
  652    HB1  ALA  86           HB1      ALA  86   8.482  -3.325  11.124
  653    HB2  ALA  86           HB2      ALA  86   6.996  -3.102  10.202
  654    HB3  ALA  86           HB3      ALA  86   7.653  -1.770  11.152
  655    H    LYS  87           H        LYS  87   7.885   0.171   8.755
  656    HA   LYS  87           HA       LYS  87  10.264   1.695   9.004
  657    HB2  LYS  87           HB3      LYS  87   7.379   2.546   9.406
  658    HB3  LYS  87           HB2      LYS  87   8.736   3.656   9.213
  659    HG2  LYS  87           HG3      LYS  87   9.233   2.597   7.003
  660    HG3  LYS  87           HG2      LYS  87   7.783   1.609   7.189
  661    HD2  LYS  87           HD3      LYS  87   6.440   3.713   7.405
  662    HD3  LYS  87           HD2      LYS  87   7.902   4.636   7.052
  663    HE2  LYS  87           HE3      LYS  87   6.322   2.832   5.244
  664    HE3  LYS  87           HE2      LYS  87   6.953   4.448   4.929
  665    HZ1  LYS  87           HZ1      LYS  87   8.650   2.043   5.302
  666    HZ2  LYS  87           HZ2      LYS  87   9.161   3.586   4.819
  667    HZ3  LYS  87           HZ3      LYS  87   8.185   2.654   3.787
  668    H    LEU  88           H        LEU  88   7.883   0.705  11.413
  669    HA   LEU  88           HA       LEU  88   9.180   2.337  13.502
  670    HB2  LEU  88           HB3      LEU  88   6.965   0.279  13.758
  671    HB3  LEU  88           HB2      LEU  88   7.437   1.470  14.970
  672    HG   LEU  88           HG       LEU  88   6.287   2.061  12.228
  673   HD11  LEU  88          HD11      LEU  88   4.280   2.156  13.250
  674   HD12  LEU  88          HD12      LEU  88   4.923   3.183  14.532
  675   HD13  LEU  88          HD13      LEU  88   5.040   1.429  14.665
  676   HD21  LEU  88          HD21      LEU  88   7.716   3.872  12.593
  677   HD22  LEU  88          HD22      LEU  88   7.558   3.771  14.347
  678   HD23  LEU  88          HD23      LEU  88   6.242   4.436  13.380
  679    H    GLN  89           H        GLN  89  10.470   1.490  15.143
  680    HA   GLN  89           HA       GLN  89  11.217  -1.398  14.867
  681    HB2  GLN  89           HB3      GLN  89  13.010   0.209  14.176
  682    HB3  GLN  89           HB2      GLN  89  12.984   0.880  15.807
  683    HG2  GLN  89           HG3      GLN  89  13.487  -1.404  16.701
  684    HG3  GLN  89           HG2      GLN  89  13.655  -1.975  15.040
  685   HE21  GLN  89          HE22      GLN  89  15.802  -2.013  14.386
  686   HE22  GLN  89          HE21      GLN  89  17.000  -0.923  14.893
  Start of MODEL   13
    1    H1   SER  -1           H1       SER  -1  11.898  -8.102  -0.299
    2    H2   SER  -1           H2       SER  -1  12.507  -9.672  -0.517
    3    H3   SER  -1           H3       SER  -1  11.960  -9.175   1.012
    4    HA   SER  -1           HA       SER  -1  10.272  -9.498  -1.411
    5    HB2  SER  -1           HB3      SER  -1   9.407 -11.465  -0.363
    6    HB3  SER  -1           HB2      SER  -1  11.160 -11.599  -0.258
    7    HG   SER  -1           HG       SER  -1   9.498 -10.509   1.771
    8    H    GLU   0           H        GLU   0  10.795  -7.517   1.113
    9    HA   GLU   0           HA       GLU   0   8.365  -7.440   2.575
   10    HB2  GLU   0           HB3      GLU   0  10.428  -6.117   3.115
   11    HB3  GLU   0           HB2      GLU   0  10.051  -5.056   1.756
   12    HG2  GLU   0           HG3      GLU   0   7.839  -4.566   2.796
   13    HG3  GLU   0           HG2      GLU   0   8.305  -5.545   4.187
   14    H    MET   1           H        MET   1   9.190  -6.171  -0.612
   15    HA   MET   1           HA       MET   1   6.956  -4.473  -1.014
   16    HB2  MET   1           HB3      MET   1   8.477  -6.204  -2.983
   17    HB3  MET   1           HB2      MET   1   7.304  -4.973  -3.450
   18    HG2  MET   1           HG3      MET   1   8.659  -3.282  -2.188
   19    HG3  MET   1           HG2      MET   1   9.872  -4.529  -1.904
   20    HE1  MET   1           HE1      MET   1   9.651  -6.113  -5.012
   21    HE2  MET   1           HE2      MET   1  10.695  -6.004  -3.588
   22    HE3  MET   1           HE3      MET   1  11.290  -5.488  -5.165
   23    H    GLN   2           H        GLN   2   7.271  -7.984  -1.319
   24    HA   GLN   2           HA       GLN   2   5.645  -9.618  -1.811
   25    HB2  GLN   2           HB3      GLN   2   5.044  -8.813   0.501
   26    HB3  GLN   2           HB2      GLN   2   3.883  -7.713  -0.245
   27    HG2  GLN   2           HG3      GLN   2   2.657  -9.683   0.369
   28    HG3  GLN   2           HG2      GLN   2   2.860  -9.741  -1.382
   29   HE21  GLN   2          HE22      GLN   2   3.249 -11.892  -1.941
   30   HE22  GLN   2          HE21      GLN   2   4.321 -12.927  -1.128
   31    H    HIS   3           H        HIS   3   5.730  -8.818  -4.126
   32    HA   HIS   3           HA       HIS   3   4.611  -8.269  -6.108
   33    HB2  HIS   3           HB3      HIS   3   2.099  -8.500  -4.427
   34    HB3  HIS   3           HB2      HIS   3   2.227  -8.660  -6.177
   35    HD1  HIS   3           HD1      HIS   3   4.093 -10.658  -6.881
   36    HD2  HIS   3           HD2      HIS   3   2.173 -10.964  -3.190
   37    HE1  HIS   3           HE1      HIS   3   4.320 -13.076  -6.151
   38    HE2  HIS   3           HE2      HIS   3   3.154 -13.271  -3.907
   39    H    ALA   4           H        ALA   4   5.664  -6.056  -5.155
   40    HA   ALA   4           HA       ALA   4   3.919  -3.985  -4.271
   41    HB1  ALA   4           HB1      ALA   4   5.782  -2.623  -5.732
   42    HB2  ALA   4           HB2      ALA   4   6.623  -4.146  -5.453
   43    HB3  ALA   4           HB3      ALA   4   6.047  -3.191  -4.085
   44    H    SER   5           H        SER   5   4.683  -5.197  -7.501
   45    HA   SER   5           HA       SER   5   3.546  -3.101  -9.034
   46    HB2  SER   5           HB3      SER   5   4.871  -5.035  -9.942
   47    HB3  SER   5           HB2      SER   5   3.458  -6.057  -9.695
   48    HG   SER   5           HG       SER   5   3.277  -3.636 -11.130
   49    H    VAL   6           H        VAL   6   2.019  -5.911  -7.495
   50    HA   VAL   6           HA       VAL   6  -0.575  -5.534  -8.642
   51    HB   VAL   6           HB       VAL   6   0.279  -6.774  -6.023
   52   HG11  VAL   6          HG11      VAL   6  -2.016  -6.208  -5.737
   53   HG12  VAL   6          HG12      VAL   6  -2.014  -7.901  -6.235
   54   HG13  VAL   6          HG13      VAL   6  -2.404  -6.639  -7.403
   55   HG21  VAL   6          HG21      VAL   6   0.053  -8.872  -7.206
   56   HG22  VAL   6          HG22      VAL   6   1.073  -7.815  -8.181
   57   HG23  VAL   6          HG23      VAL   6  -0.618  -8.057  -8.618
   58    H    ILE   7           H        ILE   7   0.847  -4.401  -5.590
   59    HA   ILE   7           HA       ILE   7  -1.442  -2.986  -4.638
   60    HB   ILE   7           HB       ILE   7   1.495  -2.342  -4.232
   61   HG12  ILE   7          HG13      ILE   7  -0.350  -4.002  -2.487
   62   HG13  ILE   7          HG12      ILE   7   0.751  -4.708  -3.669
   63   HG21  ILE   7          HG21      ILE   7  -1.011  -1.601  -2.695
   64   HG22  ILE   7          HG22      ILE   7   0.096  -0.500  -3.516
   65   HG23  ILE   7          HG23      ILE   7   0.623  -1.370  -2.075
   66   HD11  ILE   7          HD11      ILE   7   2.332  -2.902  -2.218
   67   HD12  ILE   7          HD12      ILE   7   2.345  -4.659  -2.076
   68   HD13  ILE   7          HD13      ILE   7   1.328  -3.696  -1.005
   69    H    ALA   8           H        ALA   8   1.336  -1.928  -6.593
   70    HA   ALA   8           HA       ALA   8   0.526   0.788  -6.897
   71    HB1  ALA   8           HB1      ALA   8   2.086   0.846  -8.774
   72    HB2  ALA   8           HB2      ALA   8   2.095  -0.916  -8.855
   73    HB3  ALA   8           HB3      ALA   8   2.794  -0.094  -7.460
   74    H    GLN   9           H        GLN   9  -0.300  -2.153  -8.672
   75    HA   GLN   9           HA       GLN   9  -1.591  -0.916 -10.888
   76    HB2  GLN   9           HB3      GLN   9  -0.988  -3.348 -10.714
   77    HB3  GLN   9           HB2      GLN   9  -2.342  -3.551  -9.601
   78    HG2  GLN   9           HG3      GLN   9  -3.873  -2.661 -11.358
   79    HG3  GLN   9           HG2      GLN   9  -2.507  -2.587 -12.472
   80   HE21  GLN   9          HE22      GLN   9  -4.915  -4.679 -11.121
   81   HE22  GLN   9          HE21      GLN   9  -4.359  -6.123 -11.819
   82    H    PHE  10           H        PHE  10  -2.877  -1.891  -7.703
   83    HA   PHE  10           HA       PHE  10  -5.596  -1.200  -8.344
   84    HB2  PHE  10           HB3      PHE  10  -4.125  -1.536  -5.737
   85    HB3  PHE  10           HB2      PHE  10  -5.814  -1.035  -5.788
   86    HD1  PHE  10           HD1      PHE  10  -7.467  -2.513  -7.087
   87    HD2  PHE  10           HD2      PHE  10  -3.547  -3.816  -5.914
   88    HE1  PHE  10           HE1      PHE  10  -8.181  -4.875  -7.329
   89    HE2  PHE  10           HE2      PHE  10  -4.261  -6.179  -6.161
   90    HZ   PHE  10           HZ       PHE  10  -6.577  -6.708  -6.863
   91    H    VAL  11           H        VAL  11  -3.115   0.619  -6.500
   92    HA   VAL  11           HA       VAL  11  -4.798   2.918  -6.161
   93    HB   VAL  11           HB       VAL  11  -2.691   4.105  -5.613
   94   HG11  VAL  11          HG11      VAL  11  -1.950   2.491  -3.793
   95   HG12  VAL  11          HG12      VAL  11  -3.076   1.325  -4.487
   96   HG13  VAL  11          HG13      VAL  11  -3.677   2.846  -3.827
   97   HG21  VAL  11          HG21      VAL  11  -1.038   3.328  -7.051
   98   HG22  VAL  11          HG22      VAL  11  -1.557   1.652  -6.890
   99   HG23  VAL  11          HG23      VAL  11  -0.651   2.421  -5.588
  100    H    VAL  12           H        VAL  12  -2.443   2.004  -8.651
  101    HA   VAL  12           HA       VAL  12  -2.500   4.487 -10.074
  102    HB   VAL  12           HB       VAL  12  -1.995   1.669 -11.052
  103   HG11  VAL  12          HG11      VAL  12  -1.436   4.342 -12.368
  104   HG12  VAL  12          HG12      VAL  12  -2.602   3.139 -12.924
  105   HG13  VAL  12          HG13      VAL  12  -0.877   2.781 -12.968
  106   HG21  VAL  12          HG21      VAL  12  -0.522   3.030  -9.261
  107   HG22  VAL  12          HG22      VAL  12   0.142   3.720 -10.742
  108   HG23  VAL  12          HG23      VAL  12   0.211   1.979 -10.473
  109    H    GLU  13           H        GLU  13  -4.407   1.487 -10.461
  110    HA   GLU  13           HA       GLU  13  -6.034   2.604 -12.589
  111    HB2  GLU  13           HB3      GLU  13  -6.379   0.172 -10.834
  112    HB3  GLU  13           HB2      GLU  13  -7.426   0.565 -12.189
  113    HG2  GLU  13           HG3      GLU  13  -5.453   0.564 -13.689
  114    HG3  GLU  13           HG2      GLU  13  -4.450   0.078 -12.329
  115    H    GLU  14           H        GLU  14  -6.056   2.840  -9.175
  116    HA   GLU  14           HA       GLU  14  -8.855   3.133  -8.700
  117    HB2  GLU  14           HB3      GLU  14  -7.115   2.847  -6.922
  118    HB3  GLU  14           HB2      GLU  14  -6.599   4.507  -7.218
  119    HG2  GLU  14           HG3      GLU  14  -8.921   5.278  -6.714
  120    HG3  GLU  14           HG2      GLU  14  -9.351   3.617  -6.309
  121    H    PHE  15           H        PHE  15  -6.420   5.452  -9.827
  122    HA   PHE  15           HA       PHE  15  -8.618   7.243 -10.630
  123    HB2  PHE  15           HB3      PHE  15  -8.089   7.889  -8.273
  124    HB3  PHE  15           HB2      PHE  15  -6.435   8.238  -8.779
  125    HD1  PHE  15           HD1      PHE  15  -9.988   9.215  -9.200
  126    HD2  PHE  15           HD2      PHE  15  -5.894  10.222 -10.022
  127    HE1  PHE  15           HE1      PHE  15 -10.695  11.468  -9.960
  128    HE2  PHE  15           HE2      PHE  15  -6.601  12.475 -10.782
  129    HZ   PHE  15           HZ       PHE  15  -9.000  13.098 -10.751
  130    H    LEU  16           H        LEU  16  -5.332   6.180 -10.839
  131    HA   LEU  16           HA       LEU  16  -4.904   8.048 -13.138
  132    HB2  LEU  16           HB3      LEU  16  -3.123   7.146 -10.923
  133    HB3  LEU  16           HB2      LEU  16  -2.396   7.378 -12.510
  134    HG   LEU  16           HG       LEU  16  -4.216   9.488 -11.395
  135   HD11  LEU  16          HD11      LEU  16  -1.429   8.822 -10.515
  136   HD12  LEU  16          HD12      LEU  16  -2.784   9.433  -9.565
  137   HD13  LEU  16          HD13      LEU  16  -1.898  10.517 -10.637
  138   HD21  LEU  16          HD21      LEU  16  -3.145  10.877 -12.943
  139   HD22  LEU  16          HD22      LEU  16  -3.127   9.330 -13.790
  140   HD23  LEU  16          HD23      LEU  16  -1.680   9.895 -12.958
  141    HA   PRO  17           HA       PRO  17  -4.766   3.706 -14.719
  142    HB2  PRO  17           HB2      PRO  17  -6.462   4.070 -16.816
  143    HB3  PRO  17           HB3      PRO  17  -7.021   3.694 -15.175
  144    HG2  PRO  17           HG3      PRO  17  -7.049   6.263 -16.640
  145    HG3  PRO  17           HG2      PRO  17  -8.167   5.642 -15.418
  146    HD2  PRO  17           HD3      PRO  17  -6.134   7.522 -14.968
  147    HD3  PRO  17           HD2      PRO  17  -6.993   6.605 -13.714
  148    H    ASP  18           H        ASP  18  -4.141   6.812 -16.137
  149    HA   ASP  18           HA       ASP  18  -2.941   5.650 -18.563
  150    HB2  ASP  18           HB3      ASP  18  -2.564   7.970 -19.220
  151    HB3  ASP  18           HB2      ASP  18  -4.226   7.774 -18.676
  152    H    VAL  19           H        VAL  19  -1.909   5.634 -15.531
  153    HA   VAL  19           HA       VAL  19   0.887   6.460 -16.208
  154    HB   VAL  19           HB       VAL  19  -0.410   6.099 -13.489
  155   HG11  VAL  19          HG11      VAL  19   1.727   5.885 -12.784
  156   HG12  VAL  19          HG12      VAL  19   1.958   7.566 -13.264
  157   HG13  VAL  19          HG13      VAL  19   2.362   6.266 -14.385
  158   HG21  VAL  19          HG21      VAL  19   0.212   8.483 -15.226
  159   HG22  VAL  19          HG22      VAL  19   0.170   8.646 -13.471
  160   HG23  VAL  19          HG23      VAL  19  -1.268   8.117 -14.342
  161    H    ALA  20           H        ALA  20   2.474   4.913 -16.162
  162    HA   ALA  20           HA       ALA  20   1.669   2.122 -15.998
  163    HB1  ALA  20           HB1      ALA  20   4.403   3.394 -16.284
  164    HB2  ALA  20           HB2      ALA  20   3.370   2.849 -17.607
  165    HB3  ALA  20           HB3      ALA  20   4.057   1.676 -16.484
  166    HA   PRO  21           HA       PRO  21   2.272   2.056 -11.478
  167    HB2  PRO  21           HB2      PRO  21   2.419  -0.877 -11.961
  168    HB3  PRO  21           HB3      PRO  21   1.405   0.028 -10.823
  169    HG2  PRO  21           HG3      PRO  21   0.438  -1.057 -13.080
  170    HG3  PRO  21           HG2      PRO  21  -0.212   0.430 -12.373
  171    HD2  PRO  21           HD3      PRO  21   1.445   0.085 -14.814
  172    HD3  PRO  21           HD2      PRO  21   0.298   1.376 -14.391
  173    H    ALA  22           H        ALA  22   4.185   0.133 -13.771
  174    HA   ALA  22           HA       ALA  22   6.365  -0.419 -11.981
  175    HB1  ALA  22           HB1      ALA  22   5.972  -0.454 -14.951
  176    HB2  ALA  22           HB2      ALA  22   6.464  -1.760 -13.874
  177    HB3  ALA  22           HB3      ALA  22   7.619  -0.507 -14.324
  178    H    ASP  23           H        ASP  23   5.402   2.376 -13.789
  179    HA   ASP  23           HA       ASP  23   8.031   3.666 -13.607
  180    HB2  ASP  23           HB3      ASP  23   5.317   4.629 -14.546
  181    HB3  ASP  23           HB2      ASP  23   6.756   5.648 -14.536
  182    H    VAL  24           H        VAL  24   5.903   2.945 -11.294
  183    HA   VAL  24           HA       VAL  24   5.976   5.614  -9.967
  184    HB   VAL  24           HB       VAL  24   4.592   3.108  -8.990
  185   HG11  VAL  24          HG11      VAL  24   3.918   4.408  -7.281
  186   HG12  VAL  24          HG12      VAL  24   3.361   5.663  -8.387
  187   HG13  VAL  24          HG13      VAL  24   5.042   5.640  -7.855
  188   HG21  VAL  24          HG21      VAL  24   3.403   5.350 -10.660
  189   HG22  VAL  24          HG22      VAL  24   2.561   3.916 -10.072
  190   HG23  VAL  24          HG23      VAL  24   3.823   3.759 -11.294
  191    H    ASP  25           H        ASP  25   7.356   5.948  -8.253
  192    HA   ASP  25           HA       ASP  25   9.132   3.714  -7.496
  193    HB2  ASP  25           HB3      ASP  25  10.021   6.022  -7.956
  194    HB3  ASP  25           HB2      ASP  25   9.153   6.590  -6.528
  195    H    VAL  26           H        VAL  26   8.570   2.436  -5.804
  196    HA   VAL  26           HA       VAL  26   6.408   3.088  -4.013
  197    HB   VAL  26           HB       VAL  26   7.566   0.773  -4.736
  198   HG11  VAL  26          HG11      VAL  26   9.015  -0.113  -3.078
  199   HG12  VAL  26          HG12      VAL  26   8.669   1.203  -1.956
  200   HG13  VAL  26          HG13      VAL  26   9.639   1.505  -3.398
  201   HG21  VAL  26          HG21      VAL  26   5.418   1.079  -3.533
  202   HG22  VAL  26          HG22      VAL  26   6.308   1.282  -2.025
  203   HG23  VAL  26          HG23      VAL  26   6.352  -0.263  -2.873
  204    H    ASP  27           H        ASP  27   9.355   4.481  -4.168
  205    HA   ASP  27           HA       ASP  27   9.843   4.556  -1.247
  206    HB2  ASP  27           HB3      ASP  27  11.366   5.684  -3.612
  207    HB3  ASP  27           HB2      ASP  27  11.848   5.907  -1.935
  208    H    LEU  28           H        LEU  28   7.937   6.135  -3.445
  209    HA   LEU  28           HA       LEU  28   8.234   8.796  -2.148
  210    HB2  LEU  28           HB3      LEU  28   8.132   8.675  -4.637
  211    HB3  LEU  28           HB2      LEU  28   6.522   7.973  -4.514
  212    HG   LEU  28           HG       LEU  28   5.819  10.018  -3.212
  213   HD11  LEU  28          HD11      LEU  28   7.750  11.017  -2.380
  214   HD12  LEU  28          HD12      LEU  28   7.440  12.019  -3.797
  215   HD13  LEU  28          HD13      LEU  28   8.657  10.746  -3.869
  216   HD21  LEU  28          HD21      LEU  28   5.246   9.861  -5.560
  217   HD22  LEU  28          HD22      LEU  28   6.871  10.354  -6.036
  218   HD23  LEU  28          HD23      LEU  28   5.795  11.508  -5.247
  219    H    ASP  29           H        ASP  29   6.645   9.570  -0.773
  220    HA   ASP  29           HA       ASP  29   4.839   7.745   0.434
  221    HB2  ASP  29           HB3      ASP  29   4.763  10.779   0.337
  222    HB3  ASP  29           HB2      ASP  29   3.747   9.796   1.391
  223    H    LEU  30           H        LEU  30   2.768   7.194  -0.007
  224    HA   LEU  30           HA       LEU  30   1.743   7.588  -2.652
  225    HB2  LEU  30           HB3      LEU  30   1.336   5.719  -0.787
  226    HB3  LEU  30           HB2      LEU  30  -0.058   6.736  -0.431
  227    HG   LEU  30           HG       LEU  30   0.634   5.672  -3.181
  228   HD11  LEU  30          HD11      LEU  30  -0.385   3.763  -2.591
  229   HD12  LEU  30          HD12      LEU  30  -1.828   4.665  -2.130
  230   HD13  LEU  30          HD13      LEU  30  -0.555   4.370  -0.945
  231   HD21  LEU  30          HD21      LEU  30  -1.436   7.504  -2.069
  232   HD22  LEU  30          HD22      LEU  30  -1.970   6.344  -3.286
  233   HD23  LEU  30          HD23      LEU  30  -0.687   7.492  -3.665
  234    H    VAL  31           H        VAL  31   0.992   9.081   0.473
  235    HA   VAL  31           HA       VAL  31  -1.360  10.458  -0.390
  236    HB   VAL  31           HB       VAL  31   0.621  11.127   1.795
  237   HG11  VAL  31          HG11      VAL  31  -0.424  13.145   1.773
  238   HG12  VAL  31          HG12      VAL  31  -1.803  12.274   2.446
  239   HG13  VAL  31          HG13      VAL  31  -1.705  12.563   0.707
  240   HG21  VAL  31          HG21      VAL  31  -0.590   9.708   3.101
  241   HG22  VAL  31          HG22      VAL  31  -1.147   9.029   1.572
  242   HG23  VAL  31          HG23      VAL  31  -2.122  10.238   2.407
  243    H    ASP  32           H        ASP  32   2.069  11.328  -0.572
  244    HA   ASP  32           HA       ASP  32   1.816  14.058  -1.219
  245    HB2  ASP  32           HB3      ASP  32   3.737  11.983  -2.322
  246    HB3  ASP  32           HB2      ASP  32   3.903  13.717  -2.601
  247    H    ASN  33           H        ASN  33   1.227  11.189  -3.144
  248    HA   ASN  33           HA       ASN  33   0.889  12.548  -5.669
  249    HB2  ASN  33           HB3      ASN  33  -0.047   9.876  -4.629
  250    HB3  ASN  33           HB2      ASN  33  -0.294  10.402  -6.289
  251   HD21  ASN  33          HD22      ASN  33   2.577  11.789  -5.266
  252   HD22  ASN  33          HD21      ASN  33   3.664  10.614  -5.830
  253    H    GLY  34           H        GLY  34  -1.272  11.701  -3.007
  254    HA2  GLY  34           HA3      GLY  34  -3.350  12.765  -2.500
  255    HA3  GLY  34           HA2      GLY  34  -3.289  13.570  -4.071
  256    H    VAL  35           H        VAL  35  -2.538  10.348  -4.473
  257    HA   VAL  35           HA       VAL  35  -4.888   9.753  -5.975
  258    HB   VAL  35           HB       VAL  35  -2.828   7.920  -4.707
  259   HG11  VAL  35          HG11      VAL  35  -4.816   6.613  -5.078
  260   HG12  VAL  35          HG12      VAL  35  -3.715   6.268  -6.413
  261   HG13  VAL  35          HG13      VAL  35  -5.079   7.359  -6.655
  262   HG21  VAL  35          HG21      VAL  35  -2.612   9.711  -6.819
  263   HG22  VAL  35          HG22      VAL  35  -2.955   8.180  -7.624
  264   HG23  VAL  35          HG23      VAL  35  -1.566   8.317  -6.547
  265    H    ILE  36           H        ILE  36  -4.058   9.330  -2.591
  266    HA   ILE  36           HA       ILE  36  -6.555   7.815  -2.100
  267    HB   ILE  36           HB       ILE  36  -4.376   8.688  -0.178
  268   HG12  ILE  36          HG13      ILE  36  -4.922   5.962  -1.390
  269   HG13  ILE  36          HG12      ILE  36  -3.670   7.061  -1.950
  270   HG21  ILE  36          HG21      ILE  36  -5.742   7.953   1.447
  271   HG22  ILE  36          HG22      ILE  36  -5.870   6.391   0.639
  272   HG23  ILE  36          HG23      ILE  36  -7.006   7.681   0.247
  273   HD11  ILE  36          HD11      ILE  36  -3.682   5.312   0.391
  274   HD12  ILE  36          HD12      ILE  36  -3.254   6.975   0.793
  275   HD13  ILE  36          HD13      ILE  36  -2.319   6.092  -0.413
  276    H    ASP  37           H        ASP  37  -8.342   8.752  -1.287
  277    HA   ASP  37           HA       ASP  37  -8.155  11.430  -0.010
  278    HB2  ASP  37           HB3      ASP  37  -8.771  11.646  -2.467
  279    HB3  ASP  37           HB2      ASP  37 -10.241  10.742  -2.100
  280    H    ALA  38           H        ALA  38 -10.871  11.806   0.477
  281    HA   ALA  38           HA       ALA  38 -11.338  10.003   2.650
  282    HB1  ALA  38           HB1      ALA  38 -12.332  12.378   2.209
  283    HB2  ALA  38           HB2      ALA  38 -13.346  11.176   3.008
  284    HB3  ALA  38           HB3      ALA  38 -13.563  11.512   1.290
  285    H    LEU  39           H        LEU  39 -13.020  10.284  -0.489
  286    HA   LEU  39           HA       LEU  39 -14.397   7.755  -0.159
  287    HB2  LEU  39           HB3      LEU  39 -13.840   9.286  -2.713
  288    HB3  LEU  39           HB2      LEU  39 -15.077   8.059  -2.477
  289    HG   LEU  39           HG       LEU  39 -14.940  10.775  -1.162
  290   HD11  LEU  39          HD11      LEU  39 -16.278  11.404  -2.855
  291   HD12  LEU  39          HD12      LEU  39 -17.440  10.159  -2.397
  292   HD13  LEU  39          HD13      LEU  39 -16.159   9.788  -3.551
  293   HD21  LEU  39          HD21      LEU  39 -16.585   8.325  -0.576
  294   HD22  LEU  39          HD22      LEU  39 -17.259   9.928  -0.283
  295   HD23  LEU  39          HD23      LEU  39 -15.791   9.422   0.554
  296    H    GLY  40           H        GLY  40 -11.432   8.913  -1.612
  297    HA2  GLY  40           HA3      GLY  40 -10.683   6.577  -3.040
  298    HA3  GLY  40           HA2      GLY  40  -9.554   7.769  -2.388
  299    H    LEU  41           H        LEU  41 -10.250   7.530   0.344
  300    HA   LEU  41           HA       LEU  41  -8.649   5.280   1.098
  301    HB2  LEU  41           HB3      LEU  41  -8.794   7.259   2.527
  302    HB3  LEU  41           HB2      LEU  41 -10.524   7.026   2.732
  303    HG   LEU  41           HG       LEU  41  -9.037   6.220   4.654
  304   HD11  LEU  41          HD11      LEU  41 -10.444   3.785   3.798
  305   HD12  LEU  41          HD12      LEU  41 -11.428   5.243   3.724
  306   HD13  LEU  41          HD13      LEU  41 -10.669   4.769   5.241
  307   HD21  LEU  41          HD21      LEU  41  -7.362   5.210   2.988
  308   HD22  LEU  41          HD22      LEU  41  -8.493   3.867   2.854
  309   HD23  LEU  41          HD23      LEU  41  -7.761   4.247   4.409
  310    H    LEU  42           H        LEU  42 -12.153   5.878   1.148
  311    HA   LEU  42           HA       LEU  42 -12.943   3.418   2.339
  312    HB2  LEU  42           HB3      LEU  42 -14.497   5.299   1.948
  313    HB3  LEU  42           HB2      LEU  42 -14.357   5.056   0.208
  314    HG   LEU  42           HG       LEU  42 -15.057   2.550   0.980
  315   HD11  LEU  42          HD11      LEU  42 -16.738   2.648   2.707
  316   HD12  LEU  42          HD12      LEU  42 -16.586   4.401   2.823
  317   HD13  LEU  42          HD13      LEU  42 -15.263   3.363   3.356
  318   HD21  LEU  42          HD21      LEU  42 -16.237   3.561  -0.772
  319   HD22  LEU  42          HD22      LEU  42 -16.680   4.960   0.207
  320   HD23  LEU  42          HD23      LEU  42 -17.468   3.407   0.483
  321    H    LYS  43           H        LYS  43 -12.463   4.281  -1.072
  322    HA   LYS  43           HA       LYS  43 -13.139   1.745  -2.157
  323    HB2  LYS  43           HB3      LYS  43 -11.224   3.855  -3.165
  324    HB3  LYS  43           HB2      LYS  43 -11.770   2.480  -4.115
  325    HG2  LYS  43           HG3      LYS  43 -14.127   3.231  -3.777
  326    HG3  LYS  43           HG2      LYS  43 -13.517   4.662  -2.945
  327    HD2  LYS  43           HD3      LYS  43 -12.213   5.247  -4.995
  328    HD3  LYS  43           HD2      LYS  43 -12.959   3.878  -5.820
  329    HE2  LYS  43           HE3      LYS  43 -14.256   5.814  -6.397
  330    HE3  LYS  43           HE2      LYS  43 -15.212   4.895  -5.236
  331    HZ1  LYS  43           HZ1      LYS  43 -14.926   7.410  -4.891
  332    HZ2  LYS  43           HZ2      LYS  43 -13.381   7.011  -4.317
  333    HZ3  LYS  43           HZ3      LYS  43 -14.760   6.381  -3.550
  334    H    VAL  44           H        VAL  44 -10.136   3.006  -0.811
  335    HA   VAL  44           HA       VAL  44  -8.392   0.930  -1.667
  336    HB   VAL  44           HB       VAL  44  -8.303   2.655   0.815
  337   HG11  VAL  44          HG11      VAL  44  -6.344   0.712  -0.407
  338   HG12  VAL  44          HG12      VAL  44  -6.851   0.847   1.276
  339   HG13  VAL  44          HG13      VAL  44  -5.788   2.068   0.574
  340   HG21  VAL  44          HG21      VAL  44  -7.341   4.259  -0.485
  341   HG22  VAL  44          HG22      VAL  44  -8.107   3.402  -1.822
  342   HG23  VAL  44          HG23      VAL  44  -6.420   3.080  -1.417
  343    H    ILE  45           H        ILE  45 -10.167   1.286   1.409
  344    HA   ILE  45           HA       ILE  45  -9.345  -1.268   2.433
  345    HB   ILE  45           HB       ILE  45 -11.459   0.736   3.148
  346   HG12  ILE  45          HG13      ILE  45 -10.230   0.544   5.355
  347   HG13  ILE  45          HG12      ILE  45  -9.091  -0.540   4.560
  348   HG21  ILE  45          HG21      ILE  45 -11.971  -0.890   5.091
  349   HG22  ILE  45          HG22      ILE  45 -11.293  -2.135   4.041
  350   HG23  ILE  45          HG23      ILE  45 -12.709  -1.220   3.524
  351   HD11  ILE  45          HD11      ILE  45  -8.973   2.268   4.621
  352   HD12  ILE  45          HD12      ILE  45  -9.500   1.863   2.988
  353   HD13  ILE  45          HD13      ILE  45  -7.999   1.192   3.616
  354    H    ALA  46           H        ALA  46 -12.014  -0.256   0.374
  355    HA   ALA  46           HA       ALA  46 -13.652  -2.575   0.734
  356    HB1  ALA  46           HB1      ALA  46 -14.842  -1.835  -1.206
  357    HB2  ALA  46           HB2      ALA  46 -13.451  -0.916  -1.782
  358    HB3  ALA  46           HB3      ALA  46 -14.322  -0.385  -0.344
  359    H    TRP  47           H        TRP  47 -11.247  -1.857  -1.852
  360    HA   TRP  47           HA       TRP  47 -11.618  -4.552  -2.943
  361    HB2  TRP  47           HB3      TRP  47 -10.759  -3.582  -4.772
  362    HB3  TRP  47           HB2      TRP  47 -10.466  -2.109  -3.849
  363    HD1  TRP  47           HD1      TRP  47  -8.753  -5.517  -4.518
  364    HE1  TRP  47           HE1      TRP  47  -6.200  -5.153  -4.405
  365    HE3  TRP  47           HE3      TRP  47  -8.637  -0.615  -3.211
  366    HZ2  TRP  47           HZ2      TRP  47  -4.353  -3.036  -3.820
  367    HZ3  TRP  47           HZ3      TRP  47  -6.482   0.571  -2.872
  368    HH2  TRP  47           HH2      TRP  47  -4.338  -0.638  -3.179
  369    H    LEU  48           H        LEU  48  -9.113  -2.884  -1.052
  370    HA   LEU  48           HA       LEU  48  -7.212  -5.002  -1.075
  371    HB2  LEU  48           HB3      LEU  48  -7.091  -2.522  -0.155
  372    HB3  LEU  48           HB2      LEU  48  -7.616  -3.259   1.353
  373    HG   LEU  48           HG       LEU  48  -5.236  -3.219   1.448
  374   HD11  LEU  48          HD11      LEU  48  -5.819  -5.989   0.412
  375   HD12  LEU  48          HD12      LEU  48  -6.381  -5.437   1.989
  376   HD13  LEU  48          HD13      LEU  48  -4.656  -5.516   1.644
  377   HD21  LEU  48          HD21      LEU  48  -4.104  -3.001  -0.481
  378   HD22  LEU  48          HD22      LEU  48  -5.493  -3.562  -1.409
  379   HD23  LEU  48          HD23      LEU  48  -4.344  -4.727  -0.756
  380    H    GLU  49           H        GLU  49  -9.955  -4.345   1.122
  381    HA   GLU  49           HA       GLU  49  -9.369  -6.618   2.817
  382    HB2  GLU  49           HB3      GLU  49 -11.347  -6.038   3.957
  383    HB3  GLU  49           HB2      GLU  49 -10.769  -4.498   3.345
  384    HG2  GLU  49           HG3      GLU  49 -12.248  -4.842   1.343
  385    HG3  GLU  49           HG2      GLU  49 -12.926  -6.232   2.165
  386    H    ASP  50           H        ASP  50 -11.398  -6.024   0.000
  387    HA   ASP  50           HA       ASP  50 -12.849  -8.481   0.055
  388    HB2  ASP  50           HB3      ASP  50 -13.439  -6.471  -1.299
  389    HB3  ASP  50           HB2      ASP  50 -12.081  -6.844  -2.359
  390    H    ARG  51           H        ARG  51  -9.762  -7.648  -1.544
  391    HA   ARG  51           HA       ARG  51  -9.592 -10.171  -2.911
  392    HB2  ARG  51           HB3      ARG  51  -7.411  -9.495  -3.576
  393    HB3  ARG  51           HB2      ARG  51  -8.391  -8.039  -3.548
  394    HG2  ARG  51           HG3      ARG  51  -7.509  -7.542  -1.274
  395    HG3  ARG  51           HG2      ARG  51  -6.453  -8.948  -1.407
  396    HD2  ARG  51           HD3      ARG  51  -5.545  -7.937  -3.544
  397    HD3  ARG  51           HD2      ARG  51  -6.442  -6.474  -3.146
  398    HE   ARG  51           HE       ARG  51  -4.995  -6.859  -0.870
  399   HH11  ARG  51          HH22      ARG  51  -4.231  -6.973  -4.230
  400   HH12  ARG  51          HH21      ARG  51  -2.596  -6.444  -4.013
  401   HH21  ARG  51          HH11      ARG  51  -2.862  -6.165  -0.570
  402   HH22  ARG  51          HH12      ARG  51  -1.821  -5.986  -1.942
  403    H    PHE  52           H        PHE  52  -8.329  -9.081   0.247
  404    HA   PHE  52           HA       PHE  52  -6.845 -11.585   0.576
  405    HB2  PHE  52           HB3      PHE  52  -7.210  -9.092   2.147
  406    HB3  PHE  52           HB2      PHE  52  -6.894 -10.557   3.077
  407    HD1  PHE  52           HD2      PHE  52  -5.564  -8.227   0.563
  408    HD2  PHE  52           HD1      PHE  52  -4.798 -11.785   2.833
  409    HE1  PHE  52           HE2      PHE  52  -3.165  -8.098  -0.052
  410    HE2  PHE  52           HE1      PHE  52  -2.398 -11.661   2.220
  411    HZ   PHE  52           HZ       PHE  52  -1.582  -9.817   0.777
  412    H    GLY  53           H        GLY  53 -10.074 -10.581   1.017
  413    HA2  GLY  53           HA3      GLY  53 -11.912 -11.901   1.700
  414    HA3  GLY  53           HA2      GLY  53 -10.781 -13.197   2.103
  415    H    ILE  54           H        ILE  54 -10.075 -10.059   3.324
  416    HA   ILE  54           HA       ILE  54 -10.924 -10.970   6.044
  417    HB   ILE  54           HB       ILE  54  -9.111  -9.534   6.894
  418   HG12  ILE  54          HG13      ILE  54  -8.617  -9.009   3.945
  419   HG13  ILE  54          HG12      ILE  54  -9.179  -7.828   5.125
  420   HG21  ILE  54          HG21      ILE  54  -7.212 -10.850   5.975
  421   HG22  ILE  54          HG22      ILE  54  -8.259 -11.424   4.678
  422   HG23  ILE  54          HG23      ILE  54  -8.598 -11.873   6.347
  423   HD11  ILE  54          HD11      ILE  54  -6.819  -7.483   4.881
  424   HD12  ILE  54          HD12      ILE  54  -6.491  -9.209   5.041
  425   HD13  ILE  54          HD13      ILE  54  -7.054  -8.285   6.434
  426    H    ALA  55           H        ALA  55 -11.827  -9.342   7.466
  427    HA   ALA  55           HA       ALA  55 -13.176  -7.162   5.950
  428    HB1  ALA  55           HB1      ALA  55 -14.474  -7.046   8.236
  429    HB2  ALA  55           HB2      ALA  55 -13.789  -8.652   8.486
  430    HB3  ALA  55           HB3      ALA  55 -14.831  -8.344   7.097
  431    H    ALA  56           H        ALA  56 -12.659  -5.053   6.341
  432    HA   ALA  56           HA       ALA  56 -10.368  -4.400   7.967
  433    HB1  ALA  56           HB1      ALA  56 -11.412  -1.981   7.530
  434    HB2  ALA  56           HB2      ALA  56 -12.357  -2.875   6.339
  435    HB3  ALA  56           HB3      ALA  56 -10.596  -2.874   6.247
  436    H    ASP  57           H        ASP  57 -13.786  -4.563   8.587
  437    HA   ASP  57           HA       ASP  57 -14.068  -2.770  10.731
  438    HB2  ASP  57           HB3      ASP  57 -15.334  -5.469  10.263
  439    HB3  ASP  57           HB2      ASP  57 -15.854  -4.357  11.524
  440    H    ASP  58           H        ASP  58 -12.694  -6.030  10.703
  441    HA   ASP  58           HA       ASP  58 -12.545  -6.477  13.485
  442    HB2  ASP  58           HB3      ASP  58 -10.638  -7.283  11.288
  443    HB3  ASP  58           HB2      ASP  58 -10.551  -7.904  12.934
  444    H    VAL  59           H        VAL  59 -10.365  -4.643  11.374
  445    HA   VAL  59           HA       VAL  59  -9.071  -3.551  13.842
  446    HB   VAL  59           HB       VAL  59  -7.723  -4.060  11.185
  447   HG11  VAL  59          HG11      VAL  59  -6.620  -2.249  12.246
  448   HG12  VAL  59          HG12      VAL  59  -5.673  -3.665  12.702
  449   HG13  VAL  59          HG13      VAL  59  -6.815  -2.962  13.847
  450   HG21  VAL  59          HG21      VAL  59  -8.195  -5.759  13.526
  451   HG22  VAL  59          HG22      VAL  59  -6.483  -5.604  13.127
  452   HG23  VAL  59          HG23      VAL  59  -7.620  -6.202  11.919
  453    H    GLU  60           H        GLU  60  -8.936  -1.320  13.918
  454    HA   GLU  60           HA       GLU  60 -10.279   0.154  11.744
  455    HB2  GLU  60           HB3      GLU  60 -10.752   0.646  14.157
  456    HB3  GLU  60           HB2      GLU  60  -9.093   1.207  14.328
  457    HG2  GLU  60           HG3      GLU  60  -9.510   2.870  12.529
  458    HG3  GLU  60           HG2      GLU  60 -11.191   2.352  12.481
  459    H    LEU  61           H        LEU  61  -9.163   1.188  10.158
  460    HA   LEU  61           HA       LEU  61  -6.221   1.443  10.464
  461    HB2  LEU  61           HB3      LEU  61  -7.909   1.630   7.955
  462    HB3  LEU  61           HB2      LEU  61  -6.159   1.515   8.044
  463    HG   LEU  61           HG       LEU  61  -8.142  -0.593   8.896
  464   HD11  LEU  61          HD11      LEU  61  -6.656  -1.867   7.150
  465   HD12  LEU  61          HD12      LEU  61  -6.251  -0.246   6.588
  466   HD13  LEU  61          HD13      LEU  61  -7.929  -0.789   6.577
  467   HD21  LEU  61          HD21      LEU  61  -5.177  -0.296   9.320
  468   HD22  LEU  61          HD22      LEU  61  -5.890  -1.901   9.158
  469   HD23  LEU  61          HD23      LEU  61  -6.411  -0.834  10.460
  470    H    SER  62           H        SER  62  -5.230   3.459  10.222
  471    HA   SER  62           HA       SER  62  -7.080   5.787  10.079
  472    HB2  SER  62           HB3      SER  62  -5.984   6.419  11.953
  473    HB3  SER  62           HB2      SER  62  -4.785   5.145  11.750
  474    HG   SER  62           HG       SER  62  -3.808   6.534  10.147
  475    HA   PRO  63           HA       PRO  63  -5.410   6.980   6.181
  476    HB2  PRO  63           HB2      PRO  63  -5.069   9.719   6.612
  477    HB3  PRO  63           HB3      PRO  63  -6.577   8.936   6.109
  478    HG2  PRO  63           HG3      PRO  63  -5.722   9.852   8.798
  479    HG3  PRO  63           HG2      PRO  63  -7.332   9.848   8.061
  480    HD2  PRO  63           HD3      PRO  63  -6.605   8.022   9.928
  481    HD3  PRO  63           HD2      PRO  63  -7.726   7.624   8.607
  482    H    GLU  64           H        GLU  64  -3.670   7.748   9.101
  483    HA   GLU  64           HA       GLU  64  -1.282   8.780   7.879
  484    HB2  GLU  64           HB3      GLU  64  -1.691   7.428  10.550
  485    HB3  GLU  64           HB2      GLU  64  -0.262   8.337  10.084
  486    HG2  GLU  64           HG3      GLU  64  -1.694  10.333   9.726
  487    HG3  GLU  64           HG2      GLU  64  -3.073   9.410  10.312
  488    H    HIS  65           H        HIS  65  -2.477   5.560   8.566
  489    HA   HIS  65           HA       HIS  65   0.031   4.215   8.267
  490    HB2  HIS  65           HB3      HIS  65  -1.882   3.052   9.247
  491    HB3  HIS  65           HB2      HIS  65  -2.782   3.221   7.738
  492    HD1  HIS  65           HD1      HIS  65   0.658   1.879   8.737
  493    HD2  HIS  65           HD2      HIS  65  -2.534   0.946   6.220
  494    HE1  HIS  65           HE1      HIS  65   1.277  -0.276   7.556
  495    HE2  HIS  65           HE2      HIS  65  -0.645  -0.834   6.004
  496    H    PHE  66           H        PHE  66  -2.131   5.686   6.038
  497    HA   PHE  66           HA       PHE  66  -1.060   4.197   3.742
  498    HB2  PHE  66           HB3      PHE  66  -2.966   6.552   3.804
  499    HB3  PHE  66           HB2      PHE  66  -2.634   5.513   2.418
  500    HD1  PHE  66           HD1      PHE  66  -3.833   5.384   5.959
  501    HD2  PHE  66           HD2      PHE  66  -3.911   3.569   2.070
  502    HE1  PHE  66           HE1      PHE  66  -5.576   3.803   6.735
  503    HE2  PHE  66           HE2      PHE  66  -5.652   1.983   2.850
  504    HZ   PHE  66           HZ       PHE  66  -6.483   2.106   5.182
  505    H    ARG  67           H        ARG  67   0.335   6.293   5.598
  506    HA   ARG  67           HA       ARG  67   1.083   8.581   4.193
  507    HB2  ARG  67           HB3      ARG  67   3.133   8.514   5.521
  508    HB3  ARG  67           HB2      ARG  67   1.778   7.985   6.513
  509    HG2  ARG  67           HG3      ARG  67   2.570   5.619   5.407
  510    HG3  ARG  67           HG2      ARG  67   4.111   6.457   5.546
  511    HD2  ARG  67           HD3      ARG  67   3.219   7.026   7.972
  512    HD3  ARG  67           HD2      ARG  67   2.207   5.608   7.695
  513    HE   ARG  67           HE       ARG  67   4.160   4.245   7.750
  514   HH11  ARG  67          HH22      ARG  67   4.850   7.625   7.729
  515   HH12  ARG  67          HH21      ARG  67   6.520   7.420   8.140
  516   HH21  ARG  67          HH11      ARG  67   6.336   3.962   8.285
  517   HH22  ARG  67          HH12      ARG  67   7.361   5.347   8.454
  518    H    SER  68           H        SER  68   2.185   5.244   3.731
  519    HA   SER  68           HA       SER  68   3.260   6.019   1.103
  520    HB2  SER  68           HB3      SER  68   5.461   5.055   1.493
  521    HB3  SER  68           HB2      SER  68   5.170   6.313   2.689
  522    HG   SER  68           HG       SER  68   5.670   4.742   4.016
  523    H    ILE  69           H        ILE  69   3.548   4.193  -0.291
  524    HA   ILE  69           HA       ILE  69   1.671   2.096   0.016
  525    HB   ILE  69           HB       ILE  69   4.180   2.053  -1.681
  526   HG12  ILE  69          HG13      ILE  69   2.117   2.889  -3.296
  527   HG13  ILE  69          HG12      ILE  69   1.756   3.722  -1.789
  528   HG21  ILE  69          HG21      ILE  69   2.075   0.220  -1.298
  529   HG22  ILE  69          HG22      ILE  69   3.306   0.181  -2.560
  530   HG23  ILE  69          HG23      ILE  69   1.768   0.994  -2.852
  531   HD11  ILE  69          HD11      ILE  69   4.157   3.981  -3.567
  532   HD12  ILE  69          HD12      ILE  69   4.332   4.302  -1.842
  533   HD13  ILE  69          HD13      ILE  69   3.196   5.245  -2.801
  534    H    ARG  70           H        ARG  70   5.086   2.364   0.814
  535    HA   ARG  70           HA       ARG  70   5.713  -0.347   1.305
  536    HB2  ARG  70           HB3      ARG  70   6.648   2.093   2.846
  537    HB3  ARG  70           HB2      ARG  70   7.470   0.535   2.779
  538    HG2  ARG  70           HG3      ARG  70   8.219   0.869   0.624
  539    HG3  ARG  70           HG2      ARG  70   6.840   1.879   0.189
  540    HD2  ARG  70           HD3      ARG  70   8.865   3.253   0.345
  541    HD3  ARG  70           HD2      ARG  70   7.736   3.698   1.622
  542    HE   ARG  70           HE       ARG  70   9.311   2.908   3.197
  543   HH11  ARG  70          HH22      ARG  70   9.951   1.739   0.017
  544   HH12  ARG  70          HH21      ARG  70  11.466   1.017   0.445
  545   HH21  ARG  70          HH11      ARG  70  11.286   1.973   3.773
  546   HH22  ARG  70          HH12      ARG  70  12.222   1.149   2.570
  547    H    SER  71           H        SER  71   4.322   2.087   3.514
  548    HA   SER  71           HA       SER  71   4.177   0.351   5.790
  549    HB2  SER  71           HB3      SER  71   3.954   2.856   5.853
  550    HB3  SER  71           HB2      SER  71   2.353   2.684   5.141
  551    HG   SER  71           HG       SER  71   3.268   1.571   7.593
  552    H    ILE  72           H        ILE  72   1.763   1.188   3.295
  553    HA   ILE  72           HA       ILE  72  -0.372  -0.347   4.329
  554    HB   ILE  72           HB       ILE  72   0.315   0.227   1.438
  555   HG12  ILE  72          HG13      ILE  72  -1.410   1.754   3.416
  556   HG13  ILE  72          HG12      ILE  72   0.191   2.254   2.870
  557   HG21  ILE  72          HG21      ILE  72  -2.116  -0.044   1.096
  558   HG22  ILE  72          HG22      ILE  72  -2.299  -0.476   2.796
  559   HG23  ILE  72          HG23      ILE  72  -1.385  -1.525   1.714
  560   HD11  ILE  72          HD11      ILE  72  -0.782   2.073   0.483
  561   HD12  ILE  72          HD12      ILE  72  -1.284   3.449   1.465
  562   HD13  ILE  72          HD13      ILE  72  -2.359   2.064   1.274
  563    H    ASP  73           H        ASP  73   2.245  -1.259   2.106
  564    HA   ASP  73           HA       ASP  73   1.330  -3.892   1.564
  565    HB2  ASP  73           HB3      ASP  73   4.227  -3.063   1.786
  566    HB3  ASP  73           HB2      ASP  73   3.540  -4.313   0.759
  567    H    ALA  74           H        ALA  74   3.305  -2.602   4.230
  568    HA   ALA  74           HA       ALA  74   3.977  -5.162   5.343
  569    HB1  ALA  74           HB1      ALA  74   4.674  -2.542   5.870
  570    HB2  ALA  74           HB2      ALA  74   5.138  -3.934   6.846
  571    HB3  ALA  74           HB3      ALA  74   3.719  -2.983   7.285
  572    H    PHE  75           H        PHE  75   1.383  -2.842   6.149
  573    HA   PHE  75           HA       PHE  75   0.276  -4.473   8.235
  574    HB2  PHE  75           HB3      PHE  75  -0.216  -2.068   7.973
  575    HB3  PHE  75           HB2      PHE  75  -1.141  -2.424   6.522
  576    HD1  PHE  75           HD2      PHE  75  -1.009  -2.783  10.189
  577    HD2  PHE  75           HD1      PHE  75  -3.296  -3.550   6.635
  578    HE1  PHE  75           HE2      PHE  75  -2.991  -3.324  11.579
  579    HE2  PHE  75           HE1      PHE  75  -5.277  -4.091   8.024
  580    HZ   PHE  75           HZ       PHE  75  -5.124  -3.978  10.498
  581    H    VAL  76           H        VAL  76  -0.511  -4.161   4.777
  582    HA   VAL  76           HA       VAL  76  -2.696  -5.991   4.774
  583    HB   VAL  76           HB       VAL  76  -0.685  -5.214   2.647
  584   HG11  VAL  76          HG11      VAL  76  -1.379  -7.320   1.899
  585   HG12  VAL  76          HG12      VAL  76  -2.547  -6.238   1.141
  586   HG13  VAL  76          HG13      VAL  76  -2.991  -7.140   2.590
  587   HG21  VAL  76          HG21      VAL  76  -2.133  -3.392   3.169
  588   HG22  VAL  76          HG22      VAL  76  -3.534  -4.449   3.321
  589   HG23  VAL  76          HG23      VAL  76  -2.836  -4.132   1.733
  590    H    VAL  77           H        VAL  77   0.813  -6.486   4.378
  591    HA   VAL  77           HA       VAL  77   0.665  -9.300   3.875
  592    HB   VAL  77           HB       VAL  77   2.846  -7.552   5.051
  593   HG11  VAL  77          HG11      VAL  77   4.032  -9.811   3.985
  594   HG12  VAL  77          HG12      VAL  77   2.610 -10.460   4.800
  595   HG13  VAL  77          HG13      VAL  77   3.783  -9.502   5.703
  596   HG21  VAL  77          HG21      VAL  77   1.845  -7.695   2.481
  597   HG22  VAL  77          HG22      VAL  77   3.188  -8.836   2.426
  598   HG23  VAL  77          HG23      VAL  77   3.473  -7.163   2.902
  599    H    GLY  78           H        GLY  78   0.956  -7.378   6.844
  600    HA2  GLY  78           HA3      GLY  78   1.339  -9.498   8.690
  601    HA3  GLY  78           HA2      GLY  78   0.583  -7.956   9.082
  602    H    ALA  79           H        ALA  79  -1.409  -8.672   6.801
  603    HA   ALA  79           HA       ALA  79  -3.474  -9.651   8.530
  604    HB1  ALA  79           HB1      ALA  79  -4.903  -9.497   6.660
  605    HB2  ALA  79           HB2      ALA  79  -3.591  -9.809   5.524
  606    HB3  ALA  79           HB3      ALA  79  -3.683  -8.259   6.359
  607    H    THR  80           H        THR  80  -1.356 -11.283   6.195
  608    HA   THR  80           HA       THR  80  -2.423 -13.868   7.244
  609    HB   THR  80           HB       THR  80  -2.404 -14.830   5.014
  610    HG1  THR  80           HG1      THR  80  -1.245 -12.346   4.406
  611   HG21  THR  80          HG21      THR  80  -4.398 -13.484   5.812
  612   HG22  THR  80          HG22      THR  80  -4.259 -13.641   4.060
  613   HG23  THR  80          HG23      THR  80  -3.780 -12.138   4.852
  614    H    THR  81           H        THR  81   0.296 -11.990   6.212
  615    HA   THR  81           HA       THR  81   2.055 -14.277   6.954
  616    HB   THR  81           HB       THR  81   3.566 -12.874   5.151
  617    HG1  THR  81           HG1      THR  81   0.886 -12.497   4.626
  618   HG21  THR  81          HG21      THR  81   1.692 -15.160   4.495
  619   HG22  THR  81          HG22      THR  81   3.241 -15.343   5.315
  620   HG23  THR  81          HG23      THR  81   3.188 -14.759   3.653
  621    HA   PRO  82           HA       PRO  82   3.931 -11.356   9.675
  622    HB2  PRO  82           HB2      PRO  82   6.564 -12.195   9.619
  623    HB3  PRO  82           HB3      PRO  82   5.282 -12.985  10.555
  624    HG2  PRO  82           HG3      PRO  82   6.471 -13.755   7.946
  625    HG3  PRO  82           HG2      PRO  82   5.899 -14.776   9.276
  626    HD2  PRO  82           HD3      PRO  82   4.460 -14.379   6.983
  627    HD3  PRO  82           HD2      PRO  82   3.704 -14.722   8.555
  628    HA   PRO  83           HA       PRO  83   5.491  -8.238   6.857
  629    HB2  PRO  83           HB2      PRO  83   6.326  -6.396   8.740
  630    HB3  PRO  83           HB3      PRO  83   4.665  -6.567   8.156
  631    HG2  PRO  83           HG3      PRO  83   5.884  -7.479  10.688
  632    HG3  PRO  83           HG2      PRO  83   4.225  -6.961  10.351
  633    HD2  PRO  83           HD3      PRO  83   4.992  -9.595  10.668
  634    HD3  PRO  83           HD2      PRO  83   3.550  -9.079   9.769
  635    H    VAL  84           H        VAL  84   7.470  -7.533   6.043
  636    HA   VAL  84           HA       VAL  84   9.872  -8.729   7.347
  637    HB   VAL  84           HB       VAL  84   9.549  -7.696   4.515
  638   HG11  VAL  84          HG11      VAL  84  11.615  -9.312   4.322
  639   HG12  VAL  84          HG12      VAL  84  11.752  -9.032   6.058
  640   HG13  VAL  84          HG13      VAL  84  11.846  -7.675   4.936
  641   HG21  VAL  84          HG21      VAL  84   9.831 -10.386   4.289
  642   HG22  VAL  84          HG22      VAL  84   8.261  -9.584   4.349
  643   HG23  VAL  84          HG23      VAL  84   8.943 -10.298   5.810
  644    H    GLU  85           H        GLU  85  11.448  -7.385   8.144
  645    HA   GLU  85           HA       GLU  85  12.278  -5.330   8.973
  646    HB2  GLU  85           HB3      GLU  85  12.066  -4.774   5.998
  647    HB3  GLU  85           HB2      GLU  85  13.056  -3.859   7.135
  648    HG2  GLU  85           HG3      GLU  85  14.288  -5.943   7.704
  649    HG3  GLU  85           HG2      GLU  85  13.338  -6.809   6.495
  650    H    ALA  86           H        ALA  86   9.687  -5.290   9.622
  651    HA   ALA  86           HA       ALA  86   7.950  -3.421   8.448
  652    HB1  ALA  86           HB1      ALA  86   7.702  -3.140  11.268
  653    HB2  ALA  86           HB2      ALA  86   8.138  -4.819  10.948
  654    HB3  ALA  86           HB3      ALA  86   6.708  -4.120  10.189
  655    H    LYS  87           H        LYS  87   7.566  -1.168   8.880
  656    HA   LYS  87           HA       LYS  87   9.934   0.433   9.072
  657    HB2  LYS  87           HB3      LYS  87   7.019   1.207   9.414
  658    HB3  LYS  87           HB2      LYS  87   8.347   2.349   9.209
  659    HG2  LYS  87           HG3      LYS  87   8.892   1.254   7.026
  660    HG3  LYS  87           HG2      LYS  87   7.465   0.234   7.221
  661    HD2  LYS  87           HD3      LYS  87   6.070   2.310   7.385
  662    HD3  LYS  87           HD2      LYS  87   7.512   3.258   7.022
  663    HE2  LYS  87           HE3      LYS  87   6.310   1.121   5.237
  664    HE3  LYS  87           HE2      LYS  87   6.197   2.861   4.976
  665    HZ1  LYS  87           HZ1      LYS  87   8.137   2.778   3.946
  666    HZ2  LYS  87           HZ2      LYS  87   8.277   1.116   4.256
  667    HZ3  LYS  87           HZ3      LYS  87   8.883   2.242   5.375
  668    H    LEU  88           H        LEU  88  10.747   1.645  10.815
  669    HA   LEU  88           HA       LEU  88  11.319   1.871  13.095
  670    HB2  LEU  88           HB3      LEU  88   8.307   2.161  13.316
  671    HB3  LEU  88           HB2      LEU  88   9.510   2.806  14.434
  672    HG   LEU  88           HG       LEU  88   9.157   3.592  11.526
  673   HD11  LEU  88          HD11      LEU  88   7.633   4.441  13.536
  674   HD12  LEU  88          HD12      LEU  88   8.192   5.554  12.289
  675   HD13  LEU  88          HD13      LEU  88   9.023   5.481  13.842
  676   HD21  LEU  88          HD21      LEU  88  10.894   5.384  12.382
  677   HD22  LEU  88          HD22      LEU  88  11.460   3.805  11.840
  678   HD23  LEU  88          HD23      LEU  88  11.296   4.138  13.564
  679    H    GLN  89           H        GLN  89  12.001  -0.325  13.469
  680    HA   GLN  89           HA       GLN  89  10.179  -2.437  14.159
  681    HB2  GLN  89           HB3      GLN  89  13.110  -2.061  14.848
  682    HB3  GLN  89           HB2      GLN  89  12.209  -3.561  15.071
  683    HG2  GLN  89           HG3      GLN  89  11.740  -3.663  12.664
  684    HG3  GLN  89           HG2      GLN  89  12.591  -2.137  12.421
  685   HE21  GLN  89          HE22      GLN  89  13.470  -4.511  11.102
  686   HE22  GLN  89          HE21      GLN  89  14.972  -4.964  11.748
  Start of MODEL   14
    1    H1   SER  -1           H1       SER  -1   7.179  -4.157  -7.422
    2    H2   SER  -1           H2       SER  -1   8.596  -3.820  -6.546
    3    H3   SER  -1           H3       SER  -1   7.079  -3.719  -5.787
    4    HA   SER  -1           HA       SER  -1   6.780  -6.014  -5.758
    5    HB2  SER  -1           HB3      SER  -1   9.173  -6.877  -7.148
    6    HB3  SER  -1           HB2      SER  -1   7.495  -7.322  -7.446
    7    HG   SER  -1           HG       SER  -1   8.879  -5.020  -8.370
    8    H    GLU   0           H        GLU   0   8.676  -3.889  -4.526
    9    HA   GLU   0           HA       GLU   0  11.022  -5.217  -3.590
   10    HB2  GLU   0           HB3      GLU   0   9.367  -3.027  -2.296
   11    HB3  GLU   0           HB2      GLU   0  10.976  -3.515  -1.760
   12    HG2  GLU   0           HG3      GLU   0  11.870  -2.975  -4.013
   13    HG3  GLU   0           HG2      GLU   0  10.266  -2.423  -4.499
   14    H    MET   1           H        MET   1   7.682  -5.223  -2.421
   15    HA   MET   1           HA       MET   1   8.449  -6.876  -0.094
   16    HB2  MET   1           HB3      MET   1   5.718  -5.889  -0.987
   17    HB3  MET   1           HB2      MET   1   6.135  -6.559   0.596
   18    HG2  MET   1           HG3      MET   1   7.310  -4.031  -0.595
   19    HG3  MET   1           HG2      MET   1   6.058  -4.082   0.641
   20    HE1  MET   1           HE1      MET   1   6.136  -5.365   2.591
   21    HE2  MET   1           HE2      MET   1   7.486  -5.324   3.734
   22    HE3  MET   1           HE3      MET   1   7.306  -6.681   2.625
   23    H    GLN   2           H        GLN   2   5.412  -7.718  -0.888
   24    HA   GLN   2           HA       GLN   2   6.309 -10.167  -2.357
   25    HB2  GLN   2           HB3      GLN   2   3.899  -9.732  -0.560
   26    HB3  GLN   2           HB2      GLN   2   4.266 -11.232  -1.413
   27    HG2  GLN   2           HG3      GLN   2   6.393 -11.423  -0.197
   28    HG3  GLN   2           HG2      GLN   2   6.064  -9.904   0.636
   29   HE21  GLN   2          HE22      GLN   2   6.414 -12.312   2.122
   30   HE22  GLN   2          HE21      GLN   2   4.927 -12.740   2.821
   31    H    HIS   3           H        HIS   3   3.167  -8.571  -1.898
   32    HA   HIS   3           HA       HIS   3   2.766  -8.676  -4.851
   33    HB2  HIS   3           HB3      HIS   3   0.746  -8.269  -2.618
   34    HB3  HIS   3           HB2      HIS   3   0.370  -8.419  -4.335
   35    HD1  HIS   3           HD1      HIS   3   1.368 -10.781  -5.435
   36    HD2  HIS   3           HD2      HIS   3   0.689 -10.705  -1.320
   37    HE1  HIS   3           HE1      HIS   3   1.251 -13.198  -4.682
   38    HE2  HIS   3           HE2      HIS   3   0.838 -13.163  -2.179
   39    H    ALA   4           H        ALA   4   4.300  -6.677  -3.140
   40    HA   ALA   4           HA       ALA   4   2.964  -4.234  -2.852
   41    HB1  ALA   4           HB1      ALA   4   5.744  -5.109  -3.145
   42    HB2  ALA   4           HB2      ALA   4   5.063  -3.865  -2.095
   43    HB3  ALA   4           HB3      ALA   4   5.466  -3.482  -3.769
   44    H    SER   5           H        SER   5   4.460  -5.605  -5.781
   45    HA   SER   5           HA       SER   5   4.081  -3.330  -7.457
   46    HB2  SER   5           HB3      SER   5   3.986  -6.247  -8.274
   47    HB3  SER   5           HB2      SER   5   4.328  -4.876  -9.326
   48    HG   SER   5           HG       SER   5   6.317  -5.025  -8.697
   49    H    VAL   6           H        VAL   6   1.937  -6.038  -6.657
   50    HA   VAL   6           HA       VAL   6  -0.142  -5.415  -8.504
   51    HB   VAL   6           HB       VAL   6  -0.199  -6.755  -5.799
   52   HG11  VAL   6          HG11      VAL   6  -2.436  -6.392  -5.883
   53   HG12  VAL   6          HG12      VAL   6  -2.433  -7.611  -7.159
   54   HG13  VAL   6          HG13      VAL   6  -2.380  -5.899  -7.576
   55   HG21  VAL   6          HG21      VAL   6  -0.608  -8.764  -7.336
   56   HG22  VAL   6          HG22      VAL   6   1.012  -8.069  -7.382
   57   HG23  VAL   6          HG23      VAL   6  -0.140  -7.707  -8.667
   58    H    ILE   7           H        ILE   7   0.408  -4.360  -5.159
   59    HA   ILE   7           HA       ILE   7  -1.963  -2.818  -4.859
   60    HB   ILE   7           HB       ILE   7   0.789  -2.310  -3.694
   61   HG12  ILE   7          HG13      ILE   7  -1.558  -3.787  -2.473
   62   HG13  ILE   7          HG12      ILE   7  -0.243  -4.604  -3.318
   63   HG21  ILE   7          HG21      ILE   7  -1.980  -1.406  -2.842
   64   HG22  ILE   7          HG22      ILE   7  -0.688  -0.373  -3.455
   65   HG23  ILE   7          HG23      ILE   7  -0.511  -1.174  -1.893
   66   HD11  ILE   7          HD11      ILE   7  -0.302  -3.672  -0.610
   67   HD12  ILE   7          HD12      ILE   7   0.936  -2.771  -1.485
   68   HD13  ILE   7          HD13      ILE   7   0.990  -4.533  -1.446
   69    H    ALA   8           H        ALA   8   1.215  -2.013  -6.196
   70    HA   ALA   8           HA       ALA   8   0.759   0.766  -6.599
   71    HB1  ALA   8           HB1      ALA   8   2.896  -0.800  -6.930
   72    HB2  ALA   8           HB2      ALA   8   2.740   0.735  -7.786
   73    HB3  ALA   8           HB3      ALA   8   2.345  -0.776  -8.605
   74    H    GLN   9           H        GLN   9  -0.074  -2.077  -8.535
   75    HA   GLN   9           HA       GLN   9  -0.944  -0.646 -10.866
   76    HB2  GLN   9           HB3      GLN   9  -1.790  -3.349  -9.784
   77    HB3  GLN   9           HB2      GLN   9  -2.192  -2.744 -11.391
   78    HG2  GLN   9           HG3      GLN   9   0.244  -2.505 -11.871
   79    HG3  GLN   9           HG2      GLN   9   0.594  -3.227 -10.302
   80   HE21  GLN   9          HE22      GLN   9  -2.192  -4.726 -11.267
   81   HE22  GLN   9          HE21      GLN   9  -1.536  -6.071 -12.066
   82    H    PHE  10           H        PHE  10  -2.634  -1.669  -7.911
   83    HA   PHE  10           HA       PHE  10  -5.262  -0.943  -8.777
   84    HB2  PHE  10           HB3      PHE  10  -3.969  -1.312  -6.096
   85    HB3  PHE  10           HB2      PHE  10  -5.598  -0.646  -6.195
   86    HD1  PHE  10           HD2      PHE  10  -7.397  -1.954  -7.390
   87    HD2  PHE  10           HD1      PHE  10  -3.566  -3.640  -6.427
   88    HE1  PHE  10           HE2      PHE  10  -8.327  -4.233  -7.688
   89    HE2  PHE  10           HE1      PHE  10  -4.499  -5.920  -6.723
   90    HZ   PHE  10           HZ       PHE  10  -6.877  -6.215  -7.350
   91    H    VAL  11           H        VAL  11  -2.924   0.918  -6.806
   92    HA   VAL  11           HA       VAL  11  -4.559   3.232  -6.559
   93    HB   VAL  11           HB       VAL  11  -2.597   3.034  -5.175
   94   HG11  VAL  11          HG11      VAL  11  -0.345   2.980  -6.092
   95   HG12  VAL  11          HG12      VAL  11  -0.971   3.171  -7.731
   96   HG13  VAL  11          HG13      VAL  11  -1.293   1.690  -6.829
   97   HG21  VAL  11          HG21      VAL  11  -1.560   5.191  -6.904
   98   HG22  VAL  11          HG22      VAL  11  -2.093   5.254  -5.223
   99   HG23  VAL  11          HG23      VAL  11  -3.278   5.324  -6.528
  100    H    VAL  12           H        VAL  12  -2.176   2.350  -9.061
  101    HA   VAL  12           HA       VAL  12  -2.382   4.793 -10.533
  102    HB   VAL  12           HB       VAL  12  -1.722   1.991 -11.458
  103   HG11  VAL  12          HG11      VAL  12  -0.648   3.170 -13.385
  104   HG12  VAL  12          HG12      VAL  12  -1.382   4.674 -12.827
  105   HG13  VAL  12          HG13      VAL  12  -2.403   3.340 -13.367
  106   HG21  VAL  12          HG21      VAL  12   0.461   3.873 -11.415
  107   HG22  VAL  12          HG22      VAL  12   0.302   2.353 -10.535
  108   HG23  VAL  12          HG23      VAL  12  -0.324   3.846  -9.836
  109    H    GLU  13           H        GLU  13  -4.095   1.679 -10.895
  110    HA   GLU  13           HA       GLU  13  -5.776   2.619 -13.046
  111    HB2  GLU  13           HB3      GLU  13  -6.058   0.290 -11.142
  112    HB3  GLU  13           HB2      GLU  13  -7.087   0.556 -12.543
  113    HG2  GLU  13           HG3      GLU  13  -5.083   0.518 -14.000
  114    HG3  GLU  13           HG2      GLU  13  -4.093   0.167 -12.589
  115    H    GLU  14           H        GLU  14  -5.913   2.827  -9.587
  116    HA   GLU  14           HA       GLU  14  -8.724   3.182  -9.262
  117    HB2  GLU  14           HB3      GLU  14  -7.107   2.769  -7.404
  118    HB3  GLU  14           HB2      GLU  14  -6.515   4.420  -7.602
  119    HG2  GLU  14           HG3      GLU  14  -8.831   5.258  -7.192
  120    HG3  GLU  14           HG2      GLU  14  -9.346   3.599  -6.885
  121    H    PHE  15           H        PHE  15  -6.188   5.472 -10.200
  122    HA   PHE  15           HA       PHE  15  -8.362   7.429 -10.761
  123    HB2  PHE  15           HB3      PHE  15  -7.308   7.949  -8.536
  124    HB3  PHE  15           HB2      PHE  15  -5.779   8.194  -9.378
  125    HD1  PHE  15           HD1      PHE  15  -9.313   9.367  -9.203
  126    HD2  PHE  15           HD2      PHE  15  -5.313  10.228 -10.508
  127    HE1  PHE  15           HE1      PHE  15  -9.996  11.683  -9.768
  128    HE2  PHE  15           HE2      PHE  15  -5.996  12.543 -11.077
  129    HZ   PHE  15           HZ       PHE  15  -8.338  13.270 -10.707
  130    H    LEU  16           H        LEU  16  -5.004   6.425 -11.331
  131    HA   LEU  16           HA       LEU  16  -5.087   7.988 -13.883
  132    HB2  LEU  16           HB3      LEU  16  -2.950   7.536 -11.861
  133    HB3  LEU  16           HB2      LEU  16  -2.461   7.583 -13.554
  134    HG   LEU  16           HG       LEU  16  -4.298   9.699 -12.477
  135   HD11  LEU  16          HD11      LEU  16  -1.899  10.932 -12.319
  136   HD12  LEU  16          HD12      LEU  16  -1.419   9.302 -11.849
  137   HD13  LEU  16          HD13      LEU  16  -2.664  10.153 -10.934
  138   HD21  LEU  16          HD21      LEU  16  -3.800  10.769 -14.431
  139   HD22  LEU  16          HD22      LEU  16  -3.319   9.160 -14.971
  140   HD23  LEU  16          HD23      LEU  16  -2.103  10.289 -14.372
  141    HA   PRO  17           HA       PRO  17  -4.756   3.502 -14.968
  142    HB2  PRO  17           HB2      PRO  17  -6.699   3.502 -16.884
  143    HB3  PRO  17           HB3      PRO  17  -7.034   3.253 -15.161
  144    HG2  PRO  17           HG3      PRO  17  -7.466   5.645 -16.843
  145    HG3  PRO  17           HG2      PRO  17  -8.376   5.065 -15.442
  146    HD2  PRO  17           HD3      PRO  17  -6.508   7.146 -15.413
  147    HD3  PRO  17           HD2      PRO  17  -7.106   6.278 -13.985
  148    H    ASP  18           H        ASP  18  -4.511   6.463 -16.718
  149    HA   ASP  18           HA       ASP  18  -3.548   5.185 -19.185
  150    HB2  ASP  18           HB3      ASP  18  -3.804   8.068 -18.326
  151    HB3  ASP  18           HB2      ASP  18  -3.189   7.569 -19.896
  152    H    VAL  19           H        VAL  19  -2.200   5.548 -16.252
  153    HA   VAL  19           HA       VAL  19   0.487   6.299 -17.334
  154    HB   VAL  19           HB       VAL  19  -0.456   6.237 -14.452
  155   HG11  VAL  19          HG11      VAL  19   1.969   5.870 -14.749
  156   HG12  VAL  19          HG12      VAL  19   1.652   7.450 -14.030
  157   HG13  VAL  19          HG13      VAL  19   2.067   7.326 -15.740
  158   HG21  VAL  19          HG21      VAL  19  -0.500   8.674 -14.609
  159   HG22  VAL  19          HG22      VAL  19  -1.554   7.997 -15.850
  160   HG23  VAL  19          HG23      VAL  19   0.044   8.602 -16.285
  161    H    ALA  20           H        ALA  20   2.094   4.773 -17.295
  162    HA   ALA  20           HA       ALA  20   1.408   2.023 -16.738
  163    HB1  ALA  20           HB1      ALA  20   3.155   2.996 -18.409
  164    HB2  ALA  20           HB2      ALA  20   3.534   1.492 -17.569
  165    HB3  ALA  20           HB3      ALA  20   4.232   3.013 -17.012
  166    HA   PRO  21           HA       PRO  21   2.124   2.426 -12.260
  167    HB2  PRO  21           HB2      PRO  21   2.456  -0.525 -12.467
  168    HB3  PRO  21           HB3      PRO  21   1.414   0.420 -11.388
  169    HG2  PRO  21           HG3      PRO  21   0.467  -0.933 -13.507
  170    HG3  PRO  21           HG2      PRO  21  -0.264   0.567 -12.918
  171    HD2  PRO  21           HD3      PRO  21   1.338   0.102 -15.371
  172    HD3  PRO  21           HD2      PRO  21   0.133   1.363 -15.021
  173    H    ALA  22           H        ALA  22   4.153   0.627 -14.510
  174    HA   ALA  22           HA       ALA  22   6.372   0.184 -12.743
  175    HB1  ALA  22           HB1      ALA  22   5.762  -0.474 -15.369
  176    HB2  ALA  22           HB2      ALA  22   7.299  -0.793 -14.564
  177    HB3  ALA  22           HB3      ALA  22   7.100   0.663 -15.540
  178    H    ASP  23           H        ASP  23   5.217   2.980 -14.445
  179    HA   ASP  23           HA       ASP  23   7.757   4.427 -14.284
  180    HB2  ASP  23           HB3      ASP  23   6.062   4.855 -16.078
  181    HB3  ASP  23           HB2      ASP  23   4.976   5.498 -14.845
  182    H    VAL  24           H        VAL  24   5.699   3.472 -11.940
  183    HA   VAL  24           HA       VAL  24   5.910   6.031 -10.402
  184    HB   VAL  24           HB       VAL  24   4.255   3.604  -9.689
  185   HG11  VAL  24          HG11      VAL  24   4.026   6.521  -8.893
  186   HG12  VAL  24          HG12      VAL  24   4.785   5.270  -7.908
  187   HG13  VAL  24          HG13      VAL  24   3.061   5.182  -8.269
  188   HG21  VAL  24          HG21      VAL  24   2.342   5.069 -10.604
  189   HG22  VAL  24          HG22      VAL  24   3.376   4.286 -11.800
  190   HG23  VAL  24          HG23      VAL  24   3.598   5.995 -11.426
  191    H    ASP  25           H        ASP  25   7.243   6.069  -8.622
  192    HA   ASP  25           HA       ASP  25   8.783   3.618  -8.043
  193    HB2  ASP  25           HB3      ASP  25   8.984   6.447  -6.962
  194    HB3  ASP  25           HB2      ASP  25  10.073   5.132  -6.522
  195    H    VAL  26           H        VAL  26   8.066   2.233  -6.494
  196    HA   VAL  26           HA       VAL  26   5.913   2.983  -4.691
  197    HB   VAL  26           HB       VAL  26   6.189   0.701  -3.806
  198   HG11  VAL  26          HG11      VAL  26   6.223  -0.429  -6.237
  199   HG12  VAL  26          HG12      VAL  26   6.057   1.256  -6.730
  200   HG13  VAL  26          HG13      VAL  26   4.852   0.524  -5.670
  201   HG21  VAL  26          HG21      VAL  26   8.034  -0.579  -5.332
  202   HG22  VAL  26          HG22      VAL  26   8.390   0.071  -3.731
  203   HG23  VAL  26          HG23      VAL  26   8.805   0.999  -5.172
  204    H    ASP  27           H        ASP  27   9.045   3.859  -4.656
  205    HA   ASP  27           HA       ASP  27   9.511   3.445  -1.764
  206    HB2  ASP  27           HB3      ASP  27  11.188   4.695  -3.960
  207    HB3  ASP  27           HB2      ASP  27  11.691   4.587  -2.277
  208    H    LEU  28           H        LEU  28   7.859   5.577  -3.680
  209    HA   LEU  28           HA       LEU  28   8.527   7.973  -2.058
  210    HB2  LEU  28           HB3      LEU  28   8.336   8.192  -4.533
  211    HB3  LEU  28           HB2      LEU  28   6.653   7.687  -4.428
  212    HG   LEU  28           HG       LEU  28   6.259   9.620  -2.849
  213   HD11  LEU  28          HD11      LEU  28   8.336  10.249  -1.994
  214   HD12  LEU  28          HD12      LEU  28   8.103  11.462  -3.252
  215   HD13  LEU  28          HD13      LEU  28   9.145  10.072  -3.551
  216   HD21  LEU  28          HD21      LEU  28   5.494  10.578  -4.736
  217   HD22  LEU  28          HD22      LEU  28   6.610   9.607  -5.696
  218   HD23  LEU  28          HD23      LEU  28   7.117  11.179  -5.074
  219    H    ASP  29           H        ASP  29   7.073   8.811  -0.567
  220    HA   ASP  29           HA       ASP  29   5.099   7.086   0.528
  221    HB2  ASP  29           HB3      ASP  29   5.414  10.096   0.778
  222    HB3  ASP  29           HB2      ASP  29   4.326   9.127   1.772
  223    H    LEU  30           H        LEU  30   2.940   6.887   0.177
  224    HA   LEU  30           HA       LEU  30   1.867   7.809  -2.348
  225    HB2  LEU  30           HB3      LEU  30   1.400   5.638  -0.856
  226    HB3  LEU  30           HB2      LEU  30   0.101   6.658  -0.244
  227    HG   LEU  30           HG       LEU  30   0.612   6.014  -3.162
  228   HD11  LEU  30          HD11      LEU  30  -0.750   4.245  -2.879
  229   HD12  LEU  30          HD12      LEU  30  -1.971   5.261  -2.114
  230   HD13  LEU  30          HD13      LEU  30  -0.692   4.535  -1.139
  231   HD21  LEU  30          HD21      LEU  30  -1.804   7.085  -3.191
  232   HD22  LEU  30          HD22      LEU  30  -0.375   8.117  -3.233
  233   HD23  LEU  30          HD23      LEU  30  -1.242   7.872  -1.717
  234    H    VAL  31           H        VAL  31   1.378   8.679   1.046
  235    HA   VAL  31           HA       VAL  31  -0.906  10.342   0.655
  236    HB   VAL  31           HB       VAL  31  -0.117  11.398   2.824
  237   HG11  VAL  31          HG11      VAL  31  -0.950   8.687   2.230
  238   HG12  VAL  31          HG12      VAL  31  -1.452   9.734   3.558
  239   HG13  VAL  31          HG13      VAL  31  -0.005   8.738   3.718
  240   HG21  VAL  31          HG21      VAL  31   1.797   9.352   3.439
  241   HG22  VAL  31          HG22      VAL  31   2.019  11.101   3.468
  242   HG23  VAL  31          HG23      VAL  31   2.319  10.199   1.984
  243    H    ASP  32           H        ASP  32   2.569  11.055   0.486
  244    HA   ASP  32           HA       ASP  32   2.430  13.870   0.332
  245    HB2  ASP  32           HB3      ASP  32   4.281  11.933  -1.095
  246    HB3  ASP  32           HB2      ASP  32   4.520  13.680  -1.068
  247    H    ASN  33           H        ASN  33   1.747  11.389  -2.048
  248    HA   ASN  33           HA       ASN  33   1.519  13.155  -4.316
  249    HB2  ASN  33           HB3      ASN  33   0.433  10.401  -3.745
  250    HB3  ASN  33           HB2      ASN  33   0.256  11.200  -5.295
  251   HD21  ASN  33          HD22      ASN  33   1.734   8.781  -5.119
  252   HD22  ASN  33          HD21      ASN  33   3.377   9.118  -5.381
  253    H    GLY  34           H        GLY  34  -0.741  12.009  -1.853
  254    HA2  GLY  34           HA3      GLY  34  -2.780  13.043  -1.207
  255    HA3  GLY  34           HA2      GLY  34  -2.598  14.171  -2.552
  256    H    VAL  35           H        VAL  35  -2.094  11.063  -3.670
  257    HA   VAL  35           HA       VAL  35  -4.445  11.045  -5.290
  258    HB   VAL  35           HB       VAL  35  -2.580   8.798  -4.476
  259   HG11  VAL  35          HG11      VAL  35  -3.670   7.965  -6.800
  260   HG12  VAL  35          HG12      VAL  35  -5.042   8.857  -6.145
  261   HG13  VAL  35          HG13      VAL  35  -4.337   7.525  -5.228
  262   HG21  VAL  35          HG21      VAL  35  -2.729   9.948  -7.225
  263   HG22  VAL  35          HG22      VAL  35  -1.332   9.337  -6.338
  264   HG23  VAL  35          HG23      VAL  35  -1.973  10.940  -5.978
  265    H    ILE  36           H        ILE  36  -3.718   9.684  -2.122
  266    HA   ILE  36           HA       ILE  36  -6.206   8.178  -1.960
  267    HB   ILE  36           HB       ILE  36  -4.193   8.999   0.154
  268   HG12  ILE  36          HG13      ILE  36  -4.722   6.307  -1.139
  269   HG13  ILE  36          HG12      ILE  36  -3.454   7.409  -1.653
  270   HG21  ILE  36          HG21      ILE  36  -5.781   8.382   1.634
  271   HG22  ILE  36          HG22      ILE  36  -5.608   6.745   0.998
  272   HG23  ILE  36          HG23      ILE  36  -6.848   7.816   0.348
  273   HD11  ILE  36          HD11      ILE  36  -2.156   6.345  -0.122
  274   HD12  ILE  36          HD12      ILE  36  -3.555   5.646   0.692
  275   HD13  ILE  36          HD13      ILE  36  -3.044   7.291   1.070
  276    H    ASP  37           H        ASP  37  -8.096   9.251  -1.852
  277    HA   ASP  37           HA       ASP  37  -8.239  11.760  -0.250
  278    HB2  ASP  37           HB3      ASP  37  -9.930  10.735  -2.549
  279    HB3  ASP  37           HB2      ASP  37 -10.333  12.159  -1.597
  280    H    ALA  38           H        ALA  38 -11.020  11.795   0.096
  281    HA   ALA  38           HA       ALA  38 -11.335  10.002   2.326
  282    HB1  ALA  38           HB1      ALA  38 -12.680  11.866   2.597
  283    HB2  ALA  38           HB2      ALA  38 -13.865  10.757   1.907
  284    HB3  ALA  38           HB3      ALA  38 -13.077  11.956   0.882
  285    H    LEU  39           H        LEU  39 -12.951  10.103  -0.855
  286    HA   LEU  39           HA       LEU  39 -14.177   7.509  -0.523
  287    HB2  LEU  39           HB3      LEU  39 -13.645   9.209  -2.967
  288    HB3  LEU  39           HB2      LEU  39 -14.529   7.690  -3.022
  289    HG   LEU  39           HG       LEU  39 -16.079   8.654  -1.270
  290   HD11  LEU  39          HD11      LEU  39 -14.942  10.452  -0.297
  291   HD12  LEU  39          HD12      LEU  39 -16.045  11.270  -1.402
  292   HD13  LEU  39          HD13      LEU  39 -14.355  11.050  -1.849
  293   HD21  LEU  39          HD21      LEU  39 -16.716   8.557  -3.636
  294   HD22  LEU  39          HD22      LEU  39 -15.876  10.077  -3.940
  295   HD23  LEU  39          HD23      LEU  39 -17.311  10.053  -2.916
  296    H    GLY  40           H        GLY  40 -11.183   8.765  -1.808
  297    HA2  GLY  40           HA3      GLY  40 -10.254   6.465  -3.179
  298    HA3  GLY  40           HA2      GLY  40  -9.214   7.691  -2.447
  299    H    LEU  41           H        LEU  41  -9.970   7.429   0.230
  300    HA   LEU  41           HA       LEU  41  -8.397   5.185   1.056
  301    HB2  LEU  41           HB3      LEU  41  -8.709   7.280   2.379
  302    HB3  LEU  41           HB2      LEU  41 -10.382   6.809   2.676
  303    HG   LEU  41           HG       LEU  41  -8.371   4.733   3.300
  304   HD11  LEU  41          HD11      LEU  41  -8.438   7.424   4.645
  305   HD12  LEU  41          HD12      LEU  41  -7.041   6.439   4.209
  306   HD13  LEU  41          HD13      LEU  41  -8.050   5.981   5.581
  307   HD21  LEU  41          HD21      LEU  41  -9.910   4.197   4.984
  308   HD22  LEU  41          HD22      LEU  41 -10.960   4.882   3.745
  309   HD23  LEU  41          HD23      LEU  41 -10.477   5.860   5.129
  310    H    LEU  42           H        LEU  42 -11.906   5.766   0.963
  311    HA   LEU  42           HA       LEU  42 -12.717   3.326   2.189
  312    HB2  LEU  42           HB3      LEU  42 -14.264   5.198   1.725
  313    HB3  LEU  42           HB2      LEU  42 -14.086   4.916  -0.006
  314    HG   LEU  42           HG       LEU  42 -14.798   2.427   0.806
  315   HD11  LEU  42          HD11      LEU  42 -16.485   4.241   2.525
  316   HD12  LEU  42          HD12      LEU  42 -15.050   3.438   3.162
  317   HD13  LEU  42          HD13      LEU  42 -16.396   2.479   2.549
  318   HD21  LEU  42          HD21      LEU  42 -17.202   3.268   0.247
  319   HD22  LEU  42          HD22      LEU  42 -15.948   3.395  -0.990
  320   HD23  LEU  42          HD23      LEU  42 -16.410   4.817  -0.051
  321    H    LYS  43           H        LYS  43 -12.170   4.125  -1.226
  322    HA   LYS  43           HA       LYS  43 -12.816   1.563  -2.272
  323    HB2  LYS  43           HB3      LYS  43 -10.938   3.692  -3.301
  324    HB3  LYS  43           HB2      LYS  43 -11.427   2.281  -4.229
  325    HG2  LYS  43           HG3      LYS  43 -13.809   2.964  -3.948
  326    HG3  LYS  43           HG2      LYS  43 -13.261   4.427  -3.129
  327    HD2  LYS  43           HD3      LYS  43 -11.941   5.023  -5.166
  328    HD3  LYS  43           HD2      LYS  43 -12.626   3.617  -5.981
  329    HE2  LYS  43           HE3      LYS  43 -13.801   6.231  -5.575
  330    HE3  LYS  43           HE2      LYS  43 -14.385   4.895  -6.567
  331    HZ1  LYS  43           HZ1      LYS  43 -14.839   5.294  -3.663
  332    HZ2  LYS  43           HZ2      LYS  43 -15.261   3.882  -4.502
  333    HZ3  LYS  43           HZ3      LYS  43 -16.001   5.358  -4.900
  334    H    VAL  44           H        VAL  44  -9.830   2.862  -0.916
  335    HA   VAL  44           HA       VAL  44  -8.063   0.805  -1.756
  336    HB   VAL  44           HB       VAL  44  -8.043   2.580   0.688
  337   HG11  VAL  44          HG11      VAL  44  -6.666   0.811   1.375
  338   HG12  VAL  44          HG12      VAL  44  -5.517   1.890   0.586
  339   HG13  VAL  44          HG13      VAL  44  -6.121   0.470  -0.267
  340   HG21  VAL  44          HG21      VAL  44  -6.083   2.745  -1.558
  341   HG22  VAL  44          HG22      VAL  44  -6.780   4.037  -0.581
  342   HG23  VAL  44          HG23      VAL  44  -7.725   3.304  -1.877
  343    H    ILE  45           H        ILE  45  -9.880   1.107   1.303
  344    HA   ILE  45           HA       ILE  45  -9.041  -1.447   2.307
  345    HB   ILE  45           HB       ILE  45 -11.355   0.374   2.990
  346   HG12  ILE  45          HG13      ILE  45  -9.871   0.413   5.167
  347   HG13  ILE  45          HG12      ILE  45  -8.597  -0.144   4.085
  348   HG21  ILE  45          HG21      ILE  45 -12.121  -1.787   3.598
  349   HG22  ILE  45          HG22      ILE  45 -11.463  -1.095   5.080
  350   HG23  ILE  45          HG23      ILE  45 -10.525  -2.277   4.167
  351   HD11  ILE  45          HD11      ILE  45 -10.298   2.307   3.552
  352   HD12  ILE  45          HD12      ILE  45  -8.860   1.794   2.669
  353   HD13  ILE  45          HD13      ILE  45  -8.718   2.360   4.331
  354    H    ALA  46           H        ALA  46 -11.798  -0.440   0.328
  355    HA   ALA  46           HA       ALA  46 -13.331  -2.832   0.639
  356    HB1  ALA  46           HB1      ALA  46 -14.395  -0.901  -0.280
  357    HB2  ALA  46           HB2      ALA  46 -14.363  -2.108  -1.565
  358    HB3  ALA  46           HB3      ALA  46 -13.202  -0.779  -1.574
  359    H    TRP  47           H        TRP  47 -11.042  -1.936  -1.992
  360    HA   TRP  47           HA       TRP  47 -11.318  -4.615  -3.150
  361    HB2  TRP  47           HB3      TRP  47 -10.575  -3.529  -4.970
  362    HB3  TRP  47           HB2      TRP  47 -10.275  -2.087  -4.001
  363    HD1  TRP  47           HD1      TRP  47  -8.529  -5.458  -4.777
  364    HE1  TRP  47           HE1      TRP  47  -5.980  -5.051  -4.755
  365    HE3  TRP  47           HE3      TRP  47  -8.444  -0.539  -3.490
  366    HZ2  TRP  47           HZ2      TRP  47  -4.152  -2.910  -4.254
  367    HZ3  TRP  47           HZ3      TRP  47  -6.293   0.674  -3.242
  368    HH2  TRP  47           HH2      TRP  47  -4.146  -0.508  -3.625
  369    H    LEU  48           H        LEU  48  -8.800  -2.843  -1.364
  370    HA   LEU  48           HA       LEU  48  -6.816  -4.861  -1.454
  371    HB2  LEU  48           HB3      LEU  48  -6.477  -2.525  -0.613
  372    HB3  LEU  48           HB2      LEU  48  -7.373  -2.956   0.838
  373    HG   LEU  48           HG       LEU  48  -5.707  -4.818   1.196
  374   HD11  LEU  48          HD11      LEU  48  -3.494  -3.771  -0.173
  375   HD12  LEU  48          HD12      LEU  48  -4.788  -3.815  -1.371
  376   HD13  LEU  48          HD13      LEU  48  -4.323  -5.288  -0.521
  377   HD21  LEU  48          HD21      LEU  48  -5.433  -1.973   1.589
  378   HD22  LEU  48          HD22      LEU  48  -3.841  -2.707   1.390
  379   HD23  LEU  48          HD23      LEU  48  -4.928  -3.287   2.652
  380    H    GLU  49           H        GLU  49  -9.482  -4.380   0.870
  381    HA   GLU  49           HA       GLU  49  -8.712  -6.642   2.502
  382    HB2  GLU  49           HB3      GLU  49 -10.726  -6.251   3.695
  383    HB3  GLU  49           HB2      GLU  49 -10.174  -4.658   3.198
  384    HG2  GLU  49           HG3      GLU  49 -12.391  -4.546   2.546
  385    HG3  GLU  49           HG2      GLU  49 -11.655  -5.173   1.076
  386    H    ASP  50           H        ASP  50 -10.911  -6.176  -0.233
  387    HA   ASP  50           HA       ASP  50 -12.244  -8.682  -0.111
  388    HB2  ASP  50           HB3      ASP  50 -12.837  -6.740  -1.596
  389    HB3  ASP  50           HB2      ASP  50 -11.474  -7.191  -2.619
  390    H    ARG  51           H        ARG  51  -9.141  -7.802  -1.586
  391    HA   ARG  51           HA       ARG  51  -8.697 -10.229  -2.983
  392    HB2  ARG  51           HB3      ARG  51  -6.758  -8.257  -1.787
  393    HB3  ARG  51           HB2      ARG  51  -6.278  -9.583  -2.842
  394    HG2  ARG  51           HG3      ARG  51  -7.845  -8.711  -4.580
  395    HG3  ARG  51           HG2      ARG  51  -8.182  -7.332  -3.533
  396    HD2  ARG  51           HD3      ARG  51  -6.472  -6.699  -5.147
  397    HD3  ARG  51           HD2      ARG  51  -5.744  -6.783  -3.543
  398    HE   ARG  51           HE       ARG  51  -4.483  -8.664  -4.262
  399   HH11  ARG  51          HH22      ARG  51  -6.989  -7.798  -6.465
  400   HH12  ARG  51          HH21      ARG  51  -6.433  -8.854  -7.720
  401   HH21  ARG  51          HH11      ARG  51  -3.742 -10.048  -5.887
  402   HH22  ARG  51          HH12      ARG  51  -4.594 -10.129  -7.393
  403    H    PHE  52           H        PHE  52  -7.959  -9.395   0.413
  404    HA   PHE  52           HA       PHE  52  -6.771 -12.087   0.742
  405    HB2  PHE  52           HB3      PHE  52  -6.927  -9.670   2.556
  406    HB3  PHE  52           HB2      PHE  52  -6.263 -11.221   3.062
  407    HD1  PHE  52           HD1      PHE  52  -4.193 -12.097   2.092
  408    HD2  PHE  52           HD2      PHE  52  -5.791  -8.298   0.881
  409    HE1  PHE  52           HE1      PHE  52  -2.040 -11.543   0.991
  410    HE2  PHE  52           HE2      PHE  52  -3.638  -7.743  -0.218
  411    HZ   PHE  52           HZ       PHE  52  -1.762  -9.366  -0.164
  412    H    GLY  53           H        GLY  53  -9.804 -10.638   1.029
  413    HA2  GLY  53           HA3      GLY  53 -11.819 -11.553   1.823
  414    HA3  GLY  53           HA2      GLY  53 -10.926 -13.022   2.226
  415    H    ILE  54           H        ILE  54  -9.955  -9.860   3.376
  416    HA   ILE  54           HA       ILE  54 -10.581 -10.786   6.138
  417    HB   ILE  54           HB       ILE  54  -8.833  -9.198   6.851
  418   HG12  ILE  54          HG13      ILE  54  -8.577  -8.668   3.873
  419   HG13  ILE  54          HG12      ILE  54  -9.171  -7.524   5.077
  420   HG21  ILE  54          HG21      ILE  54  -6.915 -10.372   5.837
  421   HG22  ILE  54          HG22      ILE  54  -7.965 -10.997   4.567
  422   HG23  ILE  54          HG23      ILE  54  -8.201 -11.510   6.237
  423   HD11  ILE  54          HD11      ILE  54  -6.394  -8.737   5.009
  424   HD12  ILE  54          HD12      ILE  54  -6.988  -7.619   6.237
  425   HD13  ILE  54          HD13      ILE  54  -6.808  -7.081   4.567
  426    H    ALA  55           H        ALA  55 -11.567  -9.280   7.613
  427    HA   ALA  55           HA       ALA  55 -13.148  -7.181   6.211
  428    HB1  ALA  55           HB1      ALA  55 -13.802  -7.700   9.022
  429    HB2  ALA  55           HB2      ALA  55 -13.911  -9.141   8.012
  430    HB3  ALA  55           HB3      ALA  55 -14.852  -7.706   7.606
  431    H    ALA  56           H        ALA  56 -12.796  -5.047   6.649
  432    HA   ALA  56           HA       ALA  56 -10.502  -4.239   8.186
  433    HB1  ALA  56           HB1      ALA  56 -10.868  -2.497   6.790
  434    HB2  ALA  56           HB2      ALA  56 -12.107  -1.977   7.933
  435    HB3  ALA  56           HB3      ALA  56 -12.551  -2.961   6.538
  436    H    ASP  57           H        ASP  57 -13.882  -4.676   8.949
  437    HA   ASP  57           HA       ASP  57 -14.146  -3.068  11.243
  438    HB2  ASP  57           HB3      ASP  57 -15.957  -4.438  10.138
  439    HB3  ASP  57           HB2      ASP  57 -15.283  -5.849  10.951
  440    H    ASP  58           H        ASP  58 -12.582  -6.215  10.879
  441    HA   ASP  58           HA       ASP  58 -12.288  -6.827  13.633
  442    HB2  ASP  58           HB3      ASP  58 -10.410  -8.271  12.932
  443    HB3  ASP  58           HB2      ASP  58 -11.803  -8.461  11.869
  444    H    VAL  59           H        VAL  59 -10.379  -4.702  11.549
  445    HA   VAL  59           HA       VAL  59  -8.999  -3.733  14.009
  446    HB   VAL  59           HB       VAL  59  -7.476  -5.272  12.767
  447   HG11  VAL  59          HG11      VAL  59  -7.063  -3.352  10.574
  448   HG12  VAL  59          HG12      VAL  59  -8.627  -4.165  10.524
  449   HG13  VAL  59          HG13      VAL  59  -7.140  -5.113  10.526
  450   HG21  VAL  59          HG21      VAL  59  -6.344  -2.557  12.272
  451   HG22  VAL  59          HG22      VAL  59  -5.645  -3.922  13.142
  452   HG23  VAL  59          HG23      VAL  59  -6.869  -2.916  13.917
  453    H    GLU  60           H        GLU  60  -8.718  -1.494  14.050
  454    HA   GLU  60           HA       GLU  60 -10.174   0.012  11.982
  455    HB2  GLU  60           HB3      GLU  60  -8.743   0.949  14.487
  456    HB3  GLU  60           HB2      GLU  60  -9.762   1.953  13.462
  457    HG2  GLU  60           HG3      GLU  60 -11.659   0.417  13.895
  458    HG3  GLU  60           HG2      GLU  60 -10.633  -0.502  14.991
  459    H    LEU  61           H        LEU  61  -9.207   1.361  10.466
  460    HA   LEU  61           HA       LEU  61  -6.271   1.109  10.209
  461    HB2  LEU  61           HB3      LEU  61  -8.383   2.105   8.281
  462    HB3  LEU  61           HB2      LEU  61  -6.666   1.984   7.916
  463    HG   LEU  61           HG       LEU  61  -7.076  -0.513   8.808
  464   HD11  LEU  61          HD11      LEU  61  -9.455  -0.185   9.264
  465   HD12  LEU  61          HD12      LEU  61  -9.265  -1.305   7.916
  466   HD13  LEU  61          HD13      LEU  61  -9.718   0.372   7.612
  467   HD21  LEU  61          HD21      LEU  61  -6.106  -0.315   6.698
  468   HD22  LEU  61          HD22      LEU  61  -7.390   0.736   6.097
  469   HD23  LEU  61          HD23      LEU  61  -7.679  -0.995   6.280
  470    H    SER  62           H        SER  62  -4.927   2.875  10.390
  471    HA   SER  62           HA       SER  62  -6.219   5.478  11.047
  472    HB2  SER  62           HB3      SER  62  -4.894   5.364  12.876
  473    HB3  SER  62           HB2      SER  62  -4.017   3.982  12.229
  474    HG   SER  62           HG       SER  62  -2.525   5.554  12.258
  475    HA   PRO  63           HA       PRO  63  -4.613   7.382   7.431
  476    HB2  PRO  63           HB2      PRO  63  -3.298   9.592   8.607
  477    HB3  PRO  63           HB3      PRO  63  -4.978   9.539   8.050
  478    HG2  PRO  63           HG3      PRO  63  -3.885   9.288  10.780
  479    HG3  PRO  63           HG2      PRO  63  -5.447   9.919  10.237
  480    HD2  PRO  63           HD3      PRO  63  -5.202   7.491  11.434
  481    HD3  PRO  63           HD2      PRO  63  -6.435   7.819  10.194
  482    H    GLU  64           H        GLU  64  -2.459   6.699  10.093
  483    HA   GLU  64           HA       GLU  64   0.015   7.222   8.711
  484    HB2  GLU  64           HB3      GLU  64  -0.602   5.452  11.080
  485    HB3  GLU  64           HB2      GLU  64   1.014   5.882  10.547
  486    HG2  GLU  64           HG3      GLU  64   0.450   8.273  10.863
  487    HG3  GLU  64           HG2      GLU  64  -1.125   7.793  11.485
  488    H    HIS  65           H        HIS  65  -2.218   4.550   8.814
  489    HA   HIS  65           HA       HIS  65  -0.433   2.514   7.884
  490    HB2  HIS  65           HB3      HIS  65  -2.437   1.635   8.667
  491    HB3  HIS  65           HB2      HIS  65  -3.402   2.894   7.900
  492    HD1  HIS  65           HD1      HIS  65  -2.353  -0.553   7.446
  493    HD2  HIS  65           HD2      HIS  65  -3.397   2.593   4.912
  494    HE1  HIS  65           HE1      HIS  65  -2.897  -1.588   5.196
  495    HE2  HIS  65           HE2      HIS  65  -3.526   0.318   3.647
  496    H    PHE  66           H        PHE  66  -1.923   5.205   6.345
  497    HA   PHE  66           HA       PHE  66  -1.412   4.074   3.655
  498    HB2  PHE  66           HB3      PHE  66  -2.619   6.769   4.312
  499    HB3  PHE  66           HB2      PHE  66  -2.735   5.873   2.801
  500    HD1  PHE  66           HD1      PHE  66  -3.600   5.620   6.430
  501    HD2  PHE  66           HD2      PHE  66  -4.544   4.420   2.417
  502    HE1  PHE  66           HE1      PHE  66  -5.651   4.493   7.252
  503    HE2  PHE  66           HE2      PHE  66  -6.595   3.293   3.240
  504    HZ   PHE  66           HZ       PHE  66  -7.144   3.337   5.659
  505    H    ARG  67           H        ARG  67   0.531   5.179   5.792
  506    HA   ARG  67           HA       ARG  67   1.743   7.562   4.979
  507    HB2  ARG  67           HB3      ARG  67   3.759   6.681   6.041
  508    HB3  ARG  67           HB2      ARG  67   2.344   6.222   6.984
  509    HG2  ARG  67           HG3      ARG  67   2.492   4.126   5.259
  510    HG3  ARG  67           HG2      ARG  67   4.196   4.531   5.408
  511    HD2  ARG  67           HD3      ARG  67   3.473   4.614   8.022
  512    HD3  ARG  67           HD2      ARG  67   2.326   3.419   7.422
  513    HE   ARG  67           HE       ARG  67   4.941   2.795   6.448
  514   HH11  ARG  67          HH22      ARG  67   2.994   2.867   9.292
  515   HH12  ARG  67          HH21      ARG  67   3.829   1.558  10.059
  516   HH21  ARG  67          HH11      ARG  67   6.045   1.084   7.434
  517   HH22  ARG  67          HH12      ARG  67   5.556   0.549   9.006
  518    H    SER  68           H        SER  68   2.085   4.311   3.574
  519    HA   SER  68           HA       SER  68   3.014   5.460   1.078
  520    HB2  SER  68           HB3      SER  68   5.219   4.248   1.115
  521    HB3  SER  68           HB2      SER  68   5.119   5.590   2.249
  522    HG   SER  68           HG       SER  68   4.236   3.159   3.209
  523    H    ILE  69           H        ILE  69   3.098   3.872  -0.623
  524    HA   ILE  69           HA       ILE  69   1.216   1.774  -0.451
  525    HB   ILE  69           HB       ILE  69   3.565   1.872  -2.358
  526   HG12  ILE  69          HG13      ILE  69   1.455   3.076  -3.644
  527   HG13  ILE  69          HG12      ILE  69   1.276   3.688  -2.003
  528   HG21  ILE  69          HG21      ILE  69   1.006   1.165  -3.466
  529   HG22  ILE  69          HG22      ILE  69   1.340   0.156  -2.059
  530   HG23  ILE  69          HG23      ILE  69   2.483   0.205  -3.401
  531   HD11  ILE  69          HD11      ILE  69   3.870   4.106  -2.178
  532   HD12  ILE  69          HD12      ILE  69   2.749   5.250  -2.914
  533   HD13  ILE  69          HD13      ILE  69   3.562   4.047  -3.913
  534    H    ARG  70           H        ARG  70   4.734   1.770  -0.132
  535    HA   ARG  70           HA       ARG  70   5.166  -1.023   0.040
  536    HB2  ARG  70           HB3      ARG  70   7.244  -0.392   1.233
  537    HB3  ARG  70           HB2      ARG  70   6.972   0.657  -0.161
  538    HG2  ARG  70           HG3      ARG  70   5.634   2.080   1.655
  539    HG3  ARG  70           HG2      ARG  70   6.754   1.281   2.751
  540    HD2  ARG  70           HD3      ARG  70   8.641   2.069   1.302
  541    HD3  ARG  70           HD2      ARG  70   7.476   2.968   0.338
  542    HE   ARG  70           HE       ARG  70   7.098   3.745   3.029
  543   HH11  ARG  70          HH22      ARG  70   9.497   3.802   0.554
  544   HH12  ARG  70          HH21      ARG  70  10.238   5.260   1.120
  545   HH21  ARG  70          HH11      ARG  70   8.052   5.652   3.783
  546   HH22  ARG  70          HH12      ARG  70   9.420   6.309   2.948
  547    H    SER  71           H        SER  71   4.331   1.347   2.556
  548    HA   SER  71           HA       SER  71   4.430  -0.490   4.756
  549    HB2  SER  71           HB3      SER  71   4.373   2.002   4.985
  550    HB3  SER  71           HB2      SER  71   2.690   1.977   4.466
  551    HG   SER  71           HG       SER  71   2.367   0.472   6.261
  552    H    ILE  72           H        ILE  72   1.822   0.454   2.528
  553    HA   ILE  72           HA       ILE  72  -0.310  -0.867   3.835
  554    HB   ILE  72           HB       ILE  72   0.164  -0.454   0.869
  555   HG12  ILE  72          HG13      ILE  72  -1.422   1.185   2.872
  556   HG13  ILE  72          HG12      ILE  72   0.185   1.612   2.287
  557   HG21  ILE  72          HG21      ILE  72  -2.333  -0.610   0.769
  558   HG22  ILE  72          HG22      ILE  72  -2.324  -1.116   2.458
  559   HG23  ILE  72          HG23      ILE  72  -1.555  -2.122   1.232
  560   HD11  ILE  72          HD11      ILE  72  -1.088   2.804   0.774
  561   HD12  ILE  72          HD12      ILE  72  -2.431   1.666   0.848
  562   HD13  ILE  72          HD13      ILE  72  -0.988   1.268  -0.085
  563    H    ASP  73           H        ASP  73   1.939  -2.091   1.331
  564    HA   ASP  73           HA       ASP  73   0.820  -4.699   1.142
  565    HB2  ASP  73           HB3      ASP  73   2.701  -3.592  -0.276
  566    HB3  ASP  73           HB2      ASP  73   3.787  -4.186   0.978
  567    H    ALA  74           H        ALA  74   3.342  -3.390   3.278
  568    HA   ALA  74           HA       ALA  74   3.831  -5.861   4.663
  569    HB1  ALA  74           HB1      ALA  74   4.175  -3.205   6.011
  570    HB2  ALA  74           HB2      ALA  74   5.178  -3.584   4.611
  571    HB3  ALA  74           HB3      ALA  74   5.234  -4.616   6.041
  572    H    PHE  75           H        PHE  75   1.588  -3.179   5.207
  573    HA   PHE  75           HA       PHE  75   0.680  -4.002   7.785
  574    HB2  PHE  75           HB3      PHE  75   0.182  -1.787   6.752
  575    HB3  PHE  75           HB2      PHE  75  -0.907  -2.599   5.631
  576    HD1  PHE  75           HD2      PHE  75  -0.355  -1.626   9.140
  577    HD2  PHE  75           HD1      PHE  75  -3.031  -3.538   6.377
  578    HE1  PHE  75           HE2      PHE  75  -2.163  -1.548  10.837
  579    HE2  PHE  75           HE1      PHE  75  -4.839  -3.458   8.073
  580    HZ   PHE  75           HZ       PHE  75  -4.404  -2.465  10.303
  581    H    VAL  76           H        VAL  76  -0.639  -4.703   4.529
  582    HA   VAL  76           HA       VAL  76  -2.726  -6.421   5.492
  583    HB   VAL  76           HB       VAL  76  -1.352  -6.221   2.800
  584   HG11  VAL  76          HG11      VAL  76  -3.345  -8.089   3.870
  585   HG12  VAL  76          HG12      VAL  76  -2.367  -8.202   2.408
  586   HG13  VAL  76          HG13      VAL  76  -3.864  -7.272   2.396
  587   HG21  VAL  76          HG21      VAL  76  -3.833  -5.025   4.041
  588   HG22  VAL  76          HG22      VAL  76  -3.660  -5.159   2.291
  589   HG23  VAL  76          HG23      VAL  76  -2.510  -4.196   3.219
  590    H    VAL  77           H        VAL  77   0.507  -7.139   4.099
  591    HA   VAL  77           HA       VAL  77   0.254  -9.984   4.513
  592    HB   VAL  77           HB       VAL  77   2.639  -8.167   4.068
  593   HG11  VAL  77          HG11      VAL  77   3.563 -10.014   5.202
  594   HG12  VAL  77          HG12      VAL  77   3.739 -10.439   3.500
  595   HG13  VAL  77          HG13      VAL  77   2.439 -11.148   4.456
  596   HG21  VAL  77          HG21      VAL  77   2.545  -8.929   1.817
  597   HG22  VAL  77          HG22      VAL  77   0.866  -8.603   2.245
  598   HG23  VAL  77          HG23      VAL  77   1.465 -10.261   2.229
  599    H    GLY  78           H        GLY  78   1.794  -7.349   6.300
  600    HA2  GLY  78           HA3      GLY  78   2.970  -8.876   8.369
  601    HA3  GLY  78           HA2      GLY  78   2.486  -7.191   8.525
  602    H    ALA  79           H        ALA  79  -0.347  -7.793   7.914
  603    HA   ALA  79           HA       ALA  79  -1.230  -8.268  10.609
  604    HB1  ALA  79           HB1      ALA  79  -3.528  -8.450   9.404
  605    HB2  ALA  79           HB2      ALA  79  -2.626  -7.999   7.958
  606    HB3  ALA  79           HB3      ALA  79  -2.669  -6.911   9.344
  607    H    THR  80           H        THR  80  -1.226 -10.310   7.695
  608    HA   THR  80           HA       THR  80  -2.508 -12.524   9.107
  609    HB   THR  80           HB       THR  80  -2.188 -13.761   7.038
  610    HG1  THR  80           HG1      THR  80  -0.642 -11.551   6.171
  611   HG21  THR  80          HG21      THR  80  -2.792 -11.441   5.544
  612   HG22  THR  80          HG22      THR  80  -3.397 -11.144   7.173
  613   HG23  THR  80          HG23      THR  80  -3.934 -12.566   6.278
  614    H    THR  81           H        THR  81   0.753 -11.515   8.303
  615    HA   THR  81           HA       THR  81   1.777 -13.755   9.972
  616    HB   THR  81           HB       THR  81   2.254 -14.401   7.704
  617    HG1  THR  81           HG1      THR  81   4.387 -14.589   7.889
  618   HG21  THR  81          HG21      THR  81   1.885 -12.441   6.453
  619   HG22  THR  81          HG22      THR  81   3.614 -12.739   6.272
  620   HG23  THR  81          HG23      THR  81   3.046 -11.514   7.404
  621    HA   PRO  82           HA       PRO  82   3.932 -10.727  12.379
  622    HB2  PRO  82           HB2      PRO  82   6.432 -12.189  11.655
  623    HB3  PRO  82           HB3      PRO  82   5.853 -11.679  13.250
  624    HG2  PRO  82           HG3      PRO  82   5.680 -14.223  12.376
  625    HG3  PRO  82           HG2      PRO  82   4.514 -13.504  13.497
  626    HD2  PRO  82           HD3      PRO  82   4.133 -14.279  10.684
  627    HD3  PRO  82           HD2      PRO  82   2.917 -13.937  11.930
  628    HA   PRO  83           HA       PRO  83   5.242  -7.971   9.098
  629    HB2  PRO  83           HB2      PRO  83   6.421  -6.018  10.684
  630    HB3  PRO  83           HB3      PRO  83   4.703  -6.115  10.272
  631    HG2  PRO  83           HG3      PRO  83   6.092  -6.846  12.768
  632    HG3  PRO  83           HG2      PRO  83   4.434  -6.280  12.518
  633    HD2  PRO  83           HD3      PRO  83   5.109  -8.900  13.059
  634    HD3  PRO  83           HD2      PRO  83   3.618  -8.407  12.229
  635    H    VAL  84           H        VAL  84   7.091  -7.552   7.921
  636    HA   VAL  84           HA       VAL  84   9.627  -8.649   9.050
  637    HB   VAL  84           HB       VAL  84   8.764  -9.654   6.926
  638   HG11  VAL  84          HG11      VAL  84   9.487  -7.048   5.596
  639   HG12  VAL  84          HG12      VAL  84   7.850  -7.334   6.186
  640   HG13  VAL  84          HG13      VAL  84   8.539  -8.388   4.952
  641   HG21  VAL  84          HG21      VAL  84  10.937 -10.049   6.479
  642   HG22  VAL  84          HG22      VAL  84  11.375  -8.691   7.517
  643   HG23  VAL  84          HG23      VAL  84  11.110  -8.433   5.793
  644    H    GLU  85           H        GLU  85  11.294  -7.263   9.436
  645    HA   GLU  85           HA       GLU  85  12.223  -5.111   9.840
  646    HB2  GLU  85           HB3      GLU  85  11.988  -5.247   6.820
  647    HB3  GLU  85           HB2      GLU  85  13.046  -4.146   7.704
  648    HG2  GLU  85           HG3      GLU  85  14.169  -6.104   8.750
  649    HG3  GLU  85           HG2      GLU  85  13.153  -7.175   7.785
  650    H    ALA  86           H        ALA  86   9.477  -4.875  10.277
  651    HA   ALA  86           HA       ALA  86   8.055  -3.020   8.713
  652    HB1  ALA  86           HB1      ALA  86   7.945  -3.995  11.464
  653    HB2  ALA  86           HB2      ALA  86   6.625  -3.558  10.380
  654    HB3  ALA  86           HB3      ALA  86   7.431  -2.313  11.337
  655    H    LYS  87           H        LYS  87   7.908  -0.712   8.773
  656    HA   LYS  87           HA       LYS  87  10.344   0.710   8.975
  657    HB2  LYS  87           HB3      LYS  87   7.503   1.751   9.220
  658    HB3  LYS  87           HB2      LYS  87   8.925   2.763   8.967
  659    HG2  LYS  87           HG3      LYS  87   9.405   1.480   6.870
  660    HG3  LYS  87           HG2      LYS  87   7.889   0.608   7.102
  661    HD2  LYS  87           HD3      LYS  87   6.692   2.815   7.112
  662    HD3  LYS  87           HD2      LYS  87   8.219   3.595   6.703
  663    HE2  LYS  87           HE3      LYS  87   6.858   1.443   5.054
  664    HE3  LYS  87           HE2      LYS  87   6.855   3.167   4.680
  665    HZ1  LYS  87           HZ1      LYS  87   8.900   3.045   3.851
  666    HZ2  LYS  87           HZ2      LYS  87   8.720   1.359   3.867
  667    HZ3  LYS  87           HZ3      LYS  87   9.485   2.144   5.166
  668    H    LEU  88           H        LEU  88   7.822   0.133  11.388
  669    HA   LEU  88           HA       LEU  88   9.318   1.766  13.364
  670    HB2  LEU  88           HB3      LEU  88   6.690   0.284  13.684
  671    HB3  LEU  88           HB2      LEU  88   7.372   1.467  14.802
  672    HG   LEU  88           HG       LEU  88   6.488   1.994  11.949
  673   HD11  LEU  88          HD11      LEU  88   4.516   2.021  13.170
  674   HD12  LEU  88          HD12      LEU  88   5.045   3.688  13.402
  675   HD13  LEU  88          HD13      LEU  88   5.327   2.489  14.664
  676   HD21  LEU  88          HD21      LEU  88   6.936   4.432  12.861
  677   HD22  LEU  88          HD22      LEU  88   8.269   3.477  12.214
  678   HD23  LEU  88          HD23      LEU  88   8.039   3.600  13.958
  679    H    GLN  89           H        GLN  89  10.349   0.839  15.142
  680    HA   GLN  89           HA       GLN  89  10.899  -2.048  14.935
  681    HB2  GLN  89           HB3      GLN  89  11.967   0.085  16.811
  682    HB3  GLN  89           HB2      GLN  89  12.519  -1.591  16.781
  683    HG2  GLN  89           HG3      GLN  89  13.222  -1.339  14.441
  684    HG3  GLN  89           HG2      GLN  89  12.634   0.324  14.432
  685   HE21  GLN  89          HE22      GLN  89  15.384  -0.244  13.914
  686   HE22  GLN  89          HE21      GLN  89  16.312   0.349  15.207
  Start of MODEL   15
    1    H1   SER  -1           H1       SER  -1   7.487 -11.974   5.598
    2    H2   SER  -1           H2       SER  -1   6.523 -11.998   4.199
    3    H3   SER  -1           H3       SER  -1   6.041 -11.089   5.551
    4    HA   SER  -1           HA       SER  -1   7.073  -9.328   4.733
    5    HB2  SER  -1           HB3      SER  -1   9.630 -10.912   4.530
    6    HB3  SER  -1           HB2      SER  -1   9.420  -9.214   4.945
    7    HG   SER  -1           HG       SER  -1   8.033 -10.785   6.636
    8    H    GLU   0           H        GLU   0   6.816 -12.117   2.925
    9    HA   GLU   0           HA       GLU   0   8.298 -11.566   0.570
   10    HB2  GLU   0           HB3      GLU   0   5.582 -12.893   0.846
   11    HB3  GLU   0           HB2      GLU   0   6.610 -12.974  -0.586
   12    HG2  GLU   0           HG3      GLU   0   8.405 -14.007   0.790
   13    HG3  GLU   0           HG2      GLU   0   7.321 -13.989   2.182
   14    H    MET   1           H        MET   1   7.819 -10.337  -1.278
   15    HA   MET   1           HA       MET   1   6.342  -7.935  -0.941
   16    HB2  MET   1           HB3      MET   1   7.194  -9.384  -3.463
   17    HB3  MET   1           HB2      MET   1   6.512  -7.758  -3.448
   18    HG2  MET   1           HG3      MET   1   8.343  -7.060  -1.889
   19    HG3  MET   1           HG2      MET   1   9.060  -8.661  -2.077
   20    HE1  MET   1           HE1      MET   1   9.337  -9.756  -4.185
   21    HE2  MET   1           HE2      MET   1  10.095  -9.016  -5.602
   22    HE3  MET   1           HE3      MET   1   8.340  -9.084  -5.472
   23    H    GLN   2           H        GLN   2   5.387 -11.076  -2.253
   24    HA   GLN   2           HA       GLN   2   3.279 -11.890  -2.879
   25    HB2  GLN   2           HB3      GLN   2   2.366  -9.673  -1.016
   26    HB3  GLN   2           HB2      GLN   2   1.348 -10.982  -1.614
   27    HG2  GLN   2           HG3      GLN   2   2.818 -12.636  -0.545
   28    HG3  GLN   2           HG2      GLN   2   3.870 -11.342   0.032
   29   HE21  GLN   2          HE22      GLN   2   2.591 -13.095   1.883
   30   HE22  GLN   2          HE21      GLN   2   1.431 -12.214   2.754
   31    H    HIS   3           H        HIS   3   4.387 -10.303  -4.785
   32    HA   HIS   3           HA       HIS   3   3.726  -9.242  -6.776
   33    HB2  HIS   3           HB3      HIS   3   0.957  -8.810  -5.677
   34    HB3  HIS   3           HB2      HIS   3   1.464  -9.090  -7.339
   35    HD1  HIS   3           HD1      HIS   3   2.445 -11.586  -7.826
   36    HD2  HIS   3           HD2      HIS   3   0.191 -11.132  -4.345
   37    HE1  HIS   3           HE1      HIS   3   1.768 -13.918  -7.100
   38    HE2  HIS   3           HE2      HIS   3   0.396 -13.653  -4.982
   39    H    ALA   4           H        ALA   4   5.113  -7.700  -5.119
   40    HA   ALA   4           HA       ALA   4   3.835  -5.408  -4.024
   41    HB1  ALA   4           HB1      ALA   4   6.046  -5.530  -3.354
   42    HB2  ALA   4           HB2      ALA   4   6.198  -4.353  -4.660
   43    HB3  ALA   4           HB3      ALA   4   6.607  -6.045  -4.946
   44    H    SER   5           H        SER   5   5.105  -6.044  -7.284
   45    HA   SER   5           HA       SER   5   4.689  -3.434  -8.348
   46    HB2  SER   5           HB3      SER   5   4.468  -6.075  -9.816
   47    HB3  SER   5           HB2      SER   5   4.777  -4.500 -10.539
   48    HG   SER   5           HG       SER   5   6.449  -5.326  -8.469
   49    H    VAL   6           H        VAL   6   2.518  -6.227  -8.072
   50    HA   VAL   6           HA       VAL   6   0.358  -5.155  -9.588
   51    HB   VAL   6           HB       VAL   6   0.385  -7.072  -7.256
   52   HG11  VAL   6          HG11      VAL   6  -1.928  -7.637  -8.478
   53   HG12  VAL   6          HG12      VAL   6  -1.847  -5.918  -8.865
   54   HG13  VAL   6          HG13      VAL   6  -1.834  -6.444  -7.182
   55   HG21  VAL   6          HG21      VAL   6   0.122  -7.443 -10.255
   56   HG22  VAL   6          HG22      VAL   6   0.003  -8.739  -9.065
   57   HG23  VAL   6          HG23      VAL   6   1.523  -7.873  -9.276
   58    H    ILE   7           H        ILE   7   1.192  -4.849  -6.158
   59    HA   ILE   7           HA       ILE   7  -1.125  -3.426  -5.323
   60    HB   ILE   7           HB       ILE   7   1.728  -3.142  -4.329
   61   HG12  ILE   7          HG13      ILE   7  -0.504  -4.912  -3.286
   62   HG13  ILE   7          HG12      ILE   7   0.757  -5.486  -4.377
   63   HG21  ILE   7          HG21      ILE   7   0.640  -2.424  -2.228
   64   HG22  ILE   7          HG22      ILE   7  -0.938  -2.547  -3.005
   65   HG23  ILE   7          HG23      ILE   7   0.226  -1.342  -3.557
   66   HD11  ILE   7          HD11      ILE   7   2.095  -5.820  -2.604
   67   HD12  ILE   7          HD12      ILE   7   0.879  -5.139  -1.525
   68   HD13  ILE   7          HD13      ILE   7   2.070  -4.085  -2.288
   69    H    ALA   8           H        ALA   8   1.995  -2.244  -6.595
   70    HA   ALA   8           HA       ALA   8   1.359   0.538  -6.436
   71    HB1  ALA   8           HB1      ALA   8   3.332   0.875  -7.587
   72    HB2  ALA   8           HB2      ALA   8   3.035  -0.463  -8.697
   73    HB3  ALA   8           HB3      ALA   8   3.600  -0.787  -7.057
   74    H    GLN   9           H        GLN   9   0.877  -1.857  -9.029
   75    HA   GLN   9           HA       GLN   9  -0.233  -0.013 -10.927
   76    HB2  GLN   9           HB3      GLN   9  -0.663  -2.997 -10.588
   77    HB3  GLN   9           HB2      GLN   9  -1.199  -2.065 -11.986
   78    HG2  GLN   9           HG3      GLN   9   1.162  -1.362 -12.375
   79    HG3  GLN   9           HG2      GLN   9   1.664  -2.403 -11.046
   80   HE21  GLN   9          HE22      GLN   9  -0.917  -3.988 -12.386
   81   HE22  GLN   9          HE21      GLN   9  -0.100  -4.975 -13.501
   82    H    PHE  10           H        PHE  10  -1.596  -1.842  -8.250
   83    HA   PHE  10           HA       PHE  10  -4.353  -1.524  -8.858
   84    HB2  PHE  10           HB3      PHE  10  -2.761  -2.401  -6.630
   85    HB3  PHE  10           HB2      PHE  10  -4.037  -1.335  -6.045
   86    HD1  PHE  10           HD2      PHE  10  -6.427  -1.762  -7.137
   87    HD2  PHE  10           HD1      PHE  10  -3.257  -4.655  -6.943
   88    HE1  PHE  10           HE2      PHE  10  -8.080  -3.592  -7.391
   89    HE2  PHE  10           HE1      PHE  10  -4.911  -6.485  -7.195
   90    HZ   PHE  10           HZ       PHE  10  -7.323  -5.953  -7.416
   91    H    VAL  11           H        VAL  11  -2.243   0.529  -6.816
   92    HA   VAL  11           HA       VAL  11  -4.282   2.469  -6.292
   93    HB   VAL  11           HB       VAL  11  -2.311   3.983  -5.772
   94   HG11  VAL  11          HG11      VAL  11  -3.183   1.544  -4.506
   95   HG12  VAL  11          HG12      VAL  11  -2.645   3.046  -3.754
   96   HG13  VAL  11          HG13      VAL  11  -1.469   1.803  -4.182
   97   HG21  VAL  11          HG21      VAL  11  -0.730   1.474  -6.400
   98   HG22  VAL  11          HG22      VAL  11  -0.085   3.002  -5.805
   99   HG23  VAL  11          HG23      VAL  11  -0.764   2.906  -7.428
  100    H    VAL  12           H        VAL  12  -1.843   2.204  -8.862
  101    HA   VAL  12           HA       VAL  12  -2.371   4.746 -10.062
  102    HB   VAL  12           HB       VAL  12  -1.346   2.163 -11.245
  103   HG11  VAL  12          HG11      VAL  12  -1.578   4.943 -12.415
  104   HG12  VAL  12          HG12      VAL  12  -2.237   3.444 -13.070
  105   HG13  VAL  12          HG13      VAL  12  -0.495   3.715 -13.069
  106   HG21  VAL  12          HG21      VAL  12   0.541   4.320 -11.137
  107   HG22  VAL  12          HG22      VAL  12   0.608   2.768 -10.302
  108   HG23  VAL  12          HG23      VAL  12  -0.201   4.142  -9.546
  109    H    GLU  13           H        GLU  13  -3.727   1.500 -10.703
  110    HA   GLU  13           HA       GLU  13  -5.473   2.402 -12.804
  111    HB2  GLU  13           HB3      GLU  13  -5.543  -0.038 -11.032
  112    HB3  GLU  13           HB2      GLU  13  -6.628   0.214 -12.392
  113    HG2  GLU  13           HG3      GLU  13  -4.674   0.420 -13.898
  114    HG3  GLU  13           HG2      GLU  13  -3.613   0.096 -12.531
  115    H    GLU  14           H        GLU  14  -5.819   2.108  -9.313
  116    HA   GLU  14           HA       GLU  14  -8.656   2.474  -9.213
  117    HB2  GLU  14           HB3      GLU  14  -7.237   1.658  -7.316
  118    HB3  GLU  14           HB2      GLU  14  -6.621   3.300  -7.126
  119    HG2  GLU  14           HG3      GLU  14  -8.966   4.100  -6.803
  120    HG3  GLU  14           HG2      GLU  14  -9.515   2.425  -6.877
  121    H    PHE  15           H        PHE  15  -5.980   4.777  -9.411
  122    HA   PHE  15           HA       PHE  15  -8.009   6.981  -9.421
  123    HB2  PHE  15           HB3      PHE  15  -5.105   7.036  -8.570
  124    HB3  PHE  15           HB2      PHE  15  -6.145   8.458  -8.675
  125    HD1  PHE  15           HD1      PHE  15  -8.132   8.676  -7.192
  126    HD2  PHE  15           HD2      PHE  15  -5.322   5.455  -6.767
  127    HE1  PHE  15           HE1      PHE  15  -9.029   8.191  -4.931
  128    HE2  PHE  15           HE2      PHE  15  -6.219   4.971  -4.507
  129    HZ   PHE  15           HZ       PHE  15  -8.073   6.338  -3.588
  130    H    LEU  16           H        LEU  16  -4.747   6.230 -10.747
  131    HA   LEU  16           HA       LEU  16  -5.551   7.811 -13.158
  132    HB2  LEU  16           HB3      LEU  16  -3.057   7.688 -11.559
  133    HB3  LEU  16           HB2      LEU  16  -2.872   7.824 -13.306
  134    HG   LEU  16           HG       LEU  16  -4.690   9.630 -11.697
  135   HD11  LEU  16          HD11      LEU  16  -2.745  10.480 -10.870
  136   HD12  LEU  16          HD12      LEU  16  -2.585  11.196 -12.473
  137   HD13  LEU  16          HD13      LEU  16  -1.763   9.682 -12.098
  138   HD21  LEU  16          HD21      LEU  16  -4.289   9.171 -14.484
  139   HD22  LEU  16          HD22      LEU  16  -3.615  10.757 -14.109
  140   HD23  LEU  16          HD23      LEU  16  -5.299  10.401 -13.725
  141    HA   PRO  17           HA       PRO  17  -4.685   3.492 -14.609
  142    HB2  PRO  17           HB2      PRO  17  -6.866   3.296 -16.250
  143    HB3  PRO  17           HB3      PRO  17  -6.894   2.856 -14.533
  144    HG2  PRO  17           HG3      PRO  17  -7.943   5.270 -15.882
  145    HG3  PRO  17           HG2      PRO  17  -8.543   4.420 -14.451
  146    HD2  PRO  17           HD3      PRO  17  -7.085   6.785 -14.401
  147    HD3  PRO  17           HD2      PRO  17  -7.258   5.670 -13.033
  148    H    ASP  18           H        ASP  18  -5.196   6.546 -16.141
  149    HA   ASP  18           HA       ASP  18  -4.335   5.570 -18.786
  150    HB2  ASP  18           HB3      ASP  18  -5.091   8.303 -17.749
  151    HB3  ASP  18           HB2      ASP  18  -4.586   7.993 -19.405
  152    H    VAL  19           H        VAL  19  -2.732   6.126 -16.021
  153    HA   VAL  19           HA       VAL  19  -0.415   7.450 -17.379
  154    HB   VAL  19           HB       VAL  19  -0.974   7.201 -14.409
  155   HG11  VAL  19          HG11      VAL  19   1.372   7.407 -14.725
  156   HG12  VAL  19          HG12      VAL  19   0.817   9.048 -14.397
  157   HG13  VAL  19          HG13      VAL  19   1.171   8.551 -16.052
  158   HG21  VAL  19          HG21      VAL  19  -1.739   9.444 -14.454
  159   HG22  VAL  19          HG22      VAL  19  -2.518   8.699 -15.850
  160   HG23  VAL  19          HG23      VAL  19  -1.097   9.718 -16.072
  161    H    ALA  20           H        ALA  20   1.524   6.341 -17.461
  162    HA   ALA  20           HA       ALA  20   1.486   3.495 -17.034
  163    HB1  ALA  20           HB1      ALA  20   3.733   3.514 -17.834
  164    HB2  ALA  20           HB2      ALA  20   3.950   5.205 -17.380
  165    HB3  ALA  20           HB3      ALA  20   2.891   4.782 -18.725
  166    HA   PRO  21           HA       PRO  21   2.263   3.805 -12.552
  167    HB2  PRO  21           HB2      PRO  21   3.126   0.985 -12.931
  168    HB3  PRO  21           HB3      PRO  21   1.954   1.663 -11.786
  169    HG2  PRO  21           HG3      PRO  21   1.227   0.263 -13.965
  170    HG3  PRO  21           HG2      PRO  21   0.238   1.556 -13.272
  171    HD2  PRO  21           HD3      PRO  21   1.819   1.547 -15.779
  172    HD3  PRO  21           HD2      PRO  21   0.410   2.533 -15.327
  173    H    ALA  22           H        ALA  22   4.509   2.617 -14.975
  174    HA   ALA  22           HA       ALA  22   6.825   2.393 -13.305
  175    HB1  ALA  22           HB1      ALA  22   7.670   1.633 -15.244
  176    HB2  ALA  22           HB2      ALA  22   7.587   3.260 -15.921
  177    HB3  ALA  22           HB3      ALA  22   6.214   2.164 -16.085
  178    H    ASP  23           H        ASP  23   5.168   5.139 -14.652
  179    HA   ASP  23           HA       ASP  23   7.465   6.932 -14.276
  180    HB2  ASP  23           HB3      ASP  23   5.961   8.690 -15.055
  181    HB3  ASP  23           HB2      ASP  23   5.834   7.292 -16.120
  182    H    VAL  24           H        VAL  24   5.612   5.446 -12.089
  183    HA   VAL  24           HA       VAL  24   5.258   7.868 -10.367
  184    HB   VAL  24           HB       VAL  24   4.181   5.093  -9.844
  185   HG11  VAL  24          HG11      VAL  24   2.815   6.141  -8.232
  186   HG12  VAL  24          HG12      VAL  24   3.072   7.742  -8.924
  187   HG13  VAL  24          HG13      VAL  24   4.373   6.943  -8.043
  188   HG21  VAL  24          HG21      VAL  24   2.929   7.405 -11.363
  189   HG22  VAL  24          HG22      VAL  24   2.013   6.029 -10.749
  190   HG23  VAL  24          HG23      VAL  24   3.255   5.783 -11.976
  191    H    ASP  25           H        ASP  25   6.623   8.101  -8.639
  192    HA   ASP  25           HA       ASP  25   8.579   5.944  -8.135
  193    HB2  ASP  25           HB3      ASP  25   8.320   8.755  -7.020
  194    HB3  ASP  25           HB2      ASP  25   9.623   7.637  -6.612
  195    H    VAL  26           H        VAL  26   8.132   4.437  -6.594
  196    HA   VAL  26           HA       VAL  26   5.935   4.831  -4.714
  197    HB   VAL  26           HB       VAL  26   6.402   2.582  -4.001
  198   HG11  VAL  26          HG11      VAL  26   7.217   2.183  -6.805
  199   HG12  VAL  26          HG12      VAL  26   5.824   3.244  -6.597
  200   HG13  VAL  26          HG13      VAL  26   5.785   1.602  -5.956
  201   HG21  VAL  26          HG21      VAL  26   8.773   2.641  -3.664
  202   HG22  VAL  26          HG22      VAL  26   9.068   3.037  -5.358
  203   HG23  VAL  26          HG23      VAL  26   8.491   1.430  -4.914
  204    H    ASP  27           H        ASP  27   8.925   6.110  -4.770
  205    HA   ASP  27           HA       ASP  27   9.626   5.663  -1.943
  206    HB2  ASP  27           HB3      ASP  27  10.875   7.343  -4.137
  207    HB3  ASP  27           HB2      ASP  27  11.511   7.232  -2.498
  208    H    LEU  28           H        LEU  28   7.635   7.708  -3.748
  209    HA   LEU  28           HA       LEU  28   7.881   9.983  -1.865
  210    HB2  LEU  28           HB3      LEU  28   7.661  10.413  -4.310
  211    HB3  LEU  28           HB2      LEU  28   6.077   9.646  -4.280
  212    HG   LEU  28           HG       LEU  28   5.379  11.325  -2.535
  213   HD11  LEU  28          HD11      LEU  28   6.942  13.454  -2.708
  214   HD12  LEU  28          HD12      LEU  28   8.179  12.255  -3.085
  215   HD13  LEU  28          HD13      LEU  28   7.309  12.173  -1.554
  216   HD21  LEU  28          HD21      LEU  28   5.019  13.116  -4.135
  217   HD22  LEU  28          HD22      LEU  28   4.911  11.580  -4.994
  218   HD23  LEU  28          HD23      LEU  28   6.371  12.560  -5.122
  219    H    ASP  29           H        ASP  29   6.271  10.479  -0.370
  220    HA   ASP  29           HA       ASP  29   4.640   8.375   0.591
  221    HB2  ASP  29           HB3      ASP  29   4.356  11.370   0.986
  222    HB3  ASP  29           HB2      ASP  29   3.500  10.151   1.929
  223    H    LEU  30           H        LEU  30   2.477   7.860   0.255
  224    HA   LEU  30           HA       LEU  30   1.334   8.607  -2.296
  225    HB2  LEU  30           HB3      LEU  30   1.072   6.357  -1.154
  226    HB3  LEU  30           HB2      LEU  30  -0.034   7.140  -0.029
  227    HG   LEU  30           HG       LEU  30  -1.423   7.872  -1.965
  228   HD11  LEU  30          HD11      LEU  30  -0.246   7.913  -3.920
  229   HD12  LEU  30          HD12      LEU  30  -0.766   6.232  -4.038
  230   HD13  LEU  30          HD13      LEU  30   0.837   6.617  -3.410
  231   HD21  LEU  30          HD21      LEU  30  -2.607   5.919  -1.888
  232   HD22  LEU  30          HD22      LEU  30  -1.380   5.434  -0.721
  233   HD23  LEU  30          HD23      LEU  30  -1.233   4.954  -2.411
  234    H    VAL  31           H        VAL  31   0.650   9.448   1.070
  235    HA   VAL  31           HA       VAL  31  -1.792  10.855   0.568
  236    HB   VAL  31           HB       VAL  31  -1.395  11.836   2.789
  237   HG11  VAL  31          HG11      VAL  31  -0.514   9.295   3.633
  238   HG12  VAL  31          HG12      VAL  31  -1.386   9.026   2.123
  239   HG13  VAL  31          HG13      VAL  31  -2.185   9.837   3.469
  240   HG21  VAL  31          HG21      VAL  31   1.360  10.830   2.207
  241   HG22  VAL  31          HG22      VAL  31   0.809  10.875   3.881
  242   HG23  VAL  31          HG23      VAL  31   0.866  12.359   2.930
  243    H    ASP  32           H        ASP  32   1.582  11.958   0.778
  244    HA   ASP  32           HA       ASP  32   1.140  14.733   0.546
  245    HB2  ASP  32           HB3      ASP  32   3.371  13.026  -0.600
  246    HB3  ASP  32           HB2      ASP  32   3.401  14.789  -0.568
  247    H    ASN  33           H        ASN  33   1.063  12.187  -1.859
  248    HA   ASN  33           HA       ASN  33   0.931  13.909  -4.166
  249    HB2  ASN  33           HB3      ASN  33   0.099  11.047  -3.700
  250    HB3  ASN  33           HB2      ASN  33   0.052  11.822  -5.275
  251   HD21  ASN  33          HD22      ASN  33   1.759   9.582  -4.815
  252   HD22  ASN  33          HD21      ASN  33   3.371  10.107  -4.869
  253    H    GLY  34           H        GLY  34  -1.484  12.527  -1.990
  254    HA2  GLY  34           HA3      GLY  34  -3.678  13.409  -1.628
  255    HA3  GLY  34           HA2      GLY  34  -3.483  14.414  -3.067
  256    H    VAL  35           H        VAL  35  -2.479  11.292  -3.725
  257    HA   VAL  35           HA       VAL  35  -4.572  10.785  -5.598
  258    HB   VAL  35           HB       VAL  35  -2.592   8.899  -4.282
  259   HG11  VAL  35          HG11      VAL  35  -3.152   7.515  -6.393
  260   HG12  VAL  35          HG12      VAL  35  -4.609   8.503  -6.493
  261   HG13  VAL  35          HG13      VAL  35  -4.324   7.493  -5.076
  262   HG21  VAL  35          HG21      VAL  35  -2.379  10.908  -6.323
  263   HG22  VAL  35          HG22      VAL  35  -2.144   9.325  -7.065
  264   HG23  VAL  35          HG23      VAL  35  -1.123   9.828  -5.717
  265    H    ILE  36           H        ILE  36  -4.232  10.117  -2.192
  266    HA   ILE  36           HA       ILE  36  -6.571   8.306  -2.200
  267    HB   ILE  36           HB       ILE  36  -4.892   9.312   0.115
  268   HG12  ILE  36          HG13      ILE  36  -4.761   6.637  -1.297
  269   HG13  ILE  36          HG12      ILE  36  -3.680   7.975  -1.663
  270   HG21  ILE  36          HG21      ILE  36  -7.359   7.957   0.042
  271   HG22  ILE  36          HG22      ILE  36  -6.297   8.150   1.437
  272   HG23  ILE  36          HG23      ILE  36  -6.151   6.726   0.406
  273   HD11  ILE  36          HD11      ILE  36  -3.693   7.703   1.156
  274   HD12  ILE  36          HD12      ILE  36  -2.364   7.345   0.052
  275   HD13  ILE  36          HD13      ILE  36  -3.513   6.079   0.492
  276    H    ASP  37           H        ASP  37  -8.570   9.094  -1.918
  277    HA   ASP  37           HA       ASP  37  -8.908  11.757  -0.619
  278    HB2  ASP  37           HB3      ASP  37 -10.533  10.364  -2.766
  279    HB3  ASP  37           HB2      ASP  37 -11.049  11.832  -1.946
  280    H    ALA  38           H        ALA  38 -11.504  11.737   0.058
  281    HA   ALA  38           HA       ALA  38 -11.644   9.982   2.310
  282    HB1  ALA  38           HB1      ALA  38 -14.265  10.631   1.866
  283    HB2  ALA  38           HB2      ALA  38 -13.445  11.918   0.980
  284    HB3  ALA  38           HB3      ALA  38 -13.121  11.684   2.698
  285    H    LEU  39           H        LEU  39 -13.423   9.915  -0.779
  286    HA   LEU  39           HA       LEU  39 -14.516   7.278  -0.305
  287    HB2  LEU  39           HB3      LEU  39 -14.204   8.934  -2.816
  288    HB3  LEU  39           HB2      LEU  39 -15.009   7.370  -2.786
  289    HG   LEU  39           HG       LEU  39 -16.515   8.298  -0.981
  290   HD11  LEU  39          HD11      LEU  39 -14.936  10.757  -1.686
  291   HD12  LEU  39          HD12      LEU  39 -15.420  10.165  -0.097
  292   HD13  LEU  39          HD13      LEU  39 -16.612  10.911  -1.160
  293   HD21  LEU  39          HD21      LEU  39 -17.541  10.024  -2.806
  294   HD22  LEU  39          HD22      LEU  39 -17.700   8.272  -2.939
  295   HD23  LEU  39          HD23      LEU  39 -16.433   9.112  -3.832
  296    H    GLY  40           H        GLY  40 -11.659   8.641  -1.780
  297    HA2  GLY  40           HA3      GLY  40 -10.689   6.361  -3.150
  298    HA3  GLY  40           HA2      GLY  40  -9.675   7.649  -2.495
  299    H    LEU  41           H        LEU  41 -10.260   7.411   0.221
  300    HA   LEU  41           HA       LEU  41  -8.556   5.245   0.997
  301    HB2  LEU  41           HB3      LEU  41  -8.861   7.346   2.304
  302    HB3  LEU  41           HB2      LEU  41 -10.503   6.837   2.693
  303    HG   LEU  41           HG       LEU  41  -8.415   4.821   3.247
  304   HD11  LEU  41          HD11      LEU  41  -7.075   6.571   4.051
  305   HD12  LEU  41          HD12      LEU  41  -7.995   6.115   5.485
  306   HD13  LEU  41          HD13      LEU  41  -8.466   7.533   4.547
  307   HD21  LEU  41          HD21      LEU  41 -10.975   4.917   3.827
  308   HD22  LEU  41          HD22      LEU  41 -10.449   5.942   5.161
  309   HD23  LEU  41          HD23      LEU  41  -9.846   4.291   5.029
  310    H    LEU  42           H        LEU  42 -12.079   5.695   1.069
  311    HA   LEU  42           HA       LEU  42 -12.748   3.265   2.394
  312    HB2  LEU  42           HB3      LEU  42 -14.377   5.073   1.954
  313    HB3  LEU  42           HB2      LEU  42 -14.269   4.750   0.225
  314    HG   LEU  42           HG       LEU  42 -14.862   2.262   1.125
  315   HD11  LEU  42          HD11      LEU  42 -15.026   3.191   3.471
  316   HD12  LEU  42          HD12      LEU  42 -16.476   2.363   2.905
  317   HD13  LEU  42          HD13      LEU  42 -16.419   4.126   2.929
  318   HD21  LEU  42          HD21      LEU  42 -16.125   3.166  -0.632
  319   HD22  LEU  42          HD22      LEU  42 -16.598   4.580   0.311
  320   HD23  LEU  42          HD23      LEU  42 -17.312   3.007   0.664
  321    H    LYS  43           H        LYS  43 -12.380   3.982  -1.066
  322    HA   LYS  43           HA       LYS  43 -13.001   1.383  -2.018
  323    HB2  LYS  43           HB3      LYS  43 -11.199   3.519  -3.164
  324    HB3  LYS  43           HB2      LYS  43 -11.679   2.071  -4.038
  325    HG2  LYS  43           HG3      LYS  43 -14.069   2.711  -3.709
  326    HG3  LYS  43           HG2      LYS  43 -13.530   4.211  -2.956
  327    HD2  LYS  43           HD3      LYS  43 -12.272   4.759  -5.048
  328    HD3  LYS  43           HD2      LYS  43 -12.960   3.316  -5.795
  329    HE2  LYS  43           HE3      LYS  43 -15.155   4.184  -5.733
  330    HE3  LYS  43           HE2      LYS  43 -14.730   5.410  -4.539
  331    HZ1  LYS  43           HZ1      LYS  43 -13.063   5.851  -6.683
  332    HZ2  LYS  43           HZ2      LYS  43 -14.404   6.785  -6.228
  333    HZ3  LYS  43           HZ3      LYS  43 -14.585   5.541  -7.371
  334    H    VAL  44           H        VAL  44  -9.974   2.782  -0.841
  335    HA   VAL  44           HA       VAL  44  -8.224   0.704  -1.675
  336    HB   VAL  44           HB       VAL  44  -8.116   2.600   0.673
  337   HG11  VAL  44          HG11      VAL  44  -6.104   0.565  -0.320
  338   HG12  VAL  44          HG12      VAL  44  -6.759   0.727   1.310
  339   HG13  VAL  44          HG13      VAL  44  -5.651   1.945   0.680
  340   HG21  VAL  44          HG21      VAL  44  -7.834   3.069  -2.011
  341   HG22  VAL  44          HG22      VAL  44  -6.168   2.724  -1.546
  342   HG23  VAL  44          HG23      VAL  44  -7.054   4.027  -0.753
  343    H    ILE  45           H        ILE  45  -9.888   1.129   1.455
  344    HA   ILE  45           HA       ILE  45  -8.974  -1.374   2.522
  345    HB   ILE  45           HB       ILE  45 -11.256   0.466   3.258
  346   HG12  ILE  45          HG13      ILE  45  -9.644   0.601   5.341
  347   HG13  ILE  45          HG12      ILE  45  -8.433   0.014   4.204
  348   HG21  ILE  45          HG21      ILE  45 -10.339  -2.124   4.501
  349   HG22  ILE  45          HG22      ILE  45 -11.968  -1.670   4.002
  350   HG23  ILE  45          HG23      ILE  45 -11.233  -0.907   5.411
  351   HD11  ILE  45          HD11      ILE  45  -8.561   2.522   4.356
  352   HD12  ILE  45          HD12      ILE  45 -10.190   2.428   3.692
  353   HD13  ILE  45          HD13      ILE  45  -8.812   1.892   2.731
  354    H    ALA  46           H        ALA  46 -11.862  -0.467   0.677
  355    HA   ALA  46           HA       ALA  46 -13.321  -2.882   1.181
  356    HB1  ALA  46           HB1      ALA  46 -14.604  -2.222  -0.874
  357    HB2  ALA  46           HB2      ALA  46 -13.440  -0.917  -1.114
  358    HB3  ALA  46           HB3      ALA  46 -14.458  -0.937   0.326
  359    H    TRP  47           H        TRP  47 -11.304  -1.992  -1.668
  360    HA   TRP  47           HA       TRP  47 -11.640  -4.679  -2.773
  361    HB2  TRP  47           HB3      TRP  47 -11.057  -3.600  -4.654
  362    HB3  TRP  47           HB2      TRP  47 -10.692  -2.149  -3.720
  363    HD1  TRP  47           HD1      TRP  47  -8.979  -5.512  -4.605
  364    HE1  TRP  47           HE1      TRP  47  -6.443  -5.082  -4.807
  365    HE3  TRP  47           HE3      TRP  47  -8.838  -0.571  -3.403
  366    HZ2  TRP  47           HZ2      TRP  47  -4.598  -2.913  -4.495
  367    HZ3  TRP  47           HZ3      TRP  47  -6.686   0.665  -3.363
  368    HH2  TRP  47           HH2      TRP  47  -4.568  -0.501  -3.910
  369    H    LEU  48           H        LEU  48  -8.997  -2.882  -1.214
  370    HA   LEU  48           HA       LEU  48  -7.010  -4.876  -1.472
  371    HB2  LEU  48           HB3      LEU  48  -6.642  -2.527  -0.663
  372    HB3  LEU  48           HB2      LEU  48  -7.381  -2.984   0.867
  373    HG   LEU  48           HG       LEU  48  -5.639  -4.844   0.988
  374   HD11  LEU  48          HD11      LEU  48  -4.241  -5.123  -0.751
  375   HD12  LEU  48          HD12      LEU  48  -3.645  -3.479  -0.534
  376   HD13  LEU  48          HD13      LEU  48  -5.018  -3.785  -1.595
  377   HD21  LEU  48          HD21      LEU  48  -5.249  -1.922   1.316
  378   HD22  LEU  48          HD22      LEU  48  -3.786  -2.906   1.383
  379   HD23  LEU  48          HD23      LEU  48  -5.111  -3.215   2.507
  380    H    GLU  49           H        GLU  49  -9.483  -4.442   1.067
  381    HA   GLU  49           HA       GLU  49  -8.525  -6.673   2.637
  382    HB2  GLU  49           HB3      GLU  49 -10.374  -6.247   4.027
  383    HB3  GLU  49           HB2      GLU  49  -9.982  -4.667   3.375
  384    HG2  GLU  49           HG3      GLU  49 -11.681  -5.092   1.571
  385    HG3  GLU  49           HG2      GLU  49 -12.156  -6.530   2.454
  386    H    ASP  50           H        ASP  50 -10.997  -6.248   0.139
  387    HA   ASP  50           HA       ASP  50 -12.266  -8.769   0.368
  388    HB2  ASP  50           HB3      ASP  50 -13.005  -6.838  -1.064
  389    HB3  ASP  50           HB2      ASP  50 -11.732  -7.279  -2.200
  390    H    ARG  51           H        ARG  51  -9.325  -7.861  -1.398
  391    HA   ARG  51           HA       ARG  51  -8.976 -10.300  -2.803
  392    HB2  ARG  51           HB3      ARG  51  -6.958  -8.294  -1.804
  393    HB3  ARG  51           HB2      ARG  51  -6.567  -9.619  -2.897
  394    HG2  ARG  51           HG3      ARG  51  -8.284  -8.772  -4.488
  395    HG3  ARG  51           HG2      ARG  51  -8.568  -7.404  -3.412
  396    HD2  ARG  51           HD3      ARG  51  -7.019  -6.717  -5.158
  397    HD3  ARG  51           HD2      ARG  51  -6.148  -6.798  -3.625
  398    HE   ARG  51           HE       ARG  51  -4.870  -8.574  -4.514
  399   HH11  ARG  51          HH22      ARG  51  -7.744  -7.998  -6.328
  400   HH12  ARG  51          HH21      ARG  51  -7.325  -9.102  -7.595
  401   HH21  ARG  51          HH11      ARG  51  -4.306 -10.019  -6.157
  402   HH22  ARG  51          HH12      ARG  51  -5.379 -10.247  -7.498
  403    H    PHE  52           H        PHE  52  -7.984  -9.408   0.504
  404    HA   PHE  52           HA       PHE  52  -6.694 -12.055   0.779
  405    HB2  PHE  52           HB3      PHE  52  -6.824  -9.624   2.576
  406    HB3  PHE  52           HB2      PHE  52  -6.070 -11.144   3.056
  407    HD1  PHE  52           HD1      PHE  52  -5.893  -8.287   0.729
  408    HD2  PHE  52           HD2      PHE  52  -3.996 -11.905   2.051
  409    HE1  PHE  52           HE1      PHE  52  -3.844  -7.668  -0.521
  410    HE2  PHE  52           HE2      PHE  52  -1.944 -11.286   0.804
  411    HZ   PHE  52           HZ       PHE  52  -1.868  -9.168  -0.484
  412    H    GLY  53           H        GLY  53  -9.756 -10.725   1.238
  413    HA2  GLY  53           HA3      GLY  53 -11.681 -11.724   2.152
  414    HA3  GLY  53           HA2      GLY  53 -10.694 -13.132   2.554
  415    H    ILE  54           H        ILE  54  -9.795  -9.906   3.557
  416    HA   ILE  54           HA       ILE  54 -10.303 -10.744   6.374
  417    HB   ILE  54           HB       ILE  54  -8.516  -9.178   6.982
  418   HG12  ILE  54          HG13      ILE  54  -8.432  -8.635   3.997
  419   HG13  ILE  54          HG12      ILE  54  -8.906  -7.491   5.252
  420   HG21  ILE  54          HG21      ILE  54  -6.647 -10.365   5.943
  421   HG22  ILE  54          HG22      ILE  54  -7.699 -10.933   4.646
  422   HG23  ILE  54          HG23      ILE  54  -7.943 -11.509   6.294
  423   HD11  ILE  54          HD11      ILE  54  -6.171  -8.747   4.901
  424   HD12  ILE  54          HD12      ILE  54  -6.630  -7.711   6.254
  425   HD13  ILE  54          HD13      ILE  54  -6.595  -7.058   4.616
  426    H    ALA  55           H        ALA  55 -11.179  -9.140   7.836
  427    HA   ALA  55           HA       ALA  55 -12.824  -7.101   6.412
  428    HB1  ALA  55           HB1      ALA  55 -13.110  -8.374   9.148
  429    HB2  ALA  55           HB2      ALA  55 -14.140  -8.641   7.741
  430    HB3  ALA  55           HB3      ALA  55 -14.146  -7.077   8.554
  431    H    ALA  56           H        ALA  56 -12.519  -4.945   6.824
  432    HA   ALA  56           HA       ALA  56 -10.145  -4.084   8.209
  433    HB1  ALA  56           HB1      ALA  56 -12.287  -2.087   7.797
  434    HB2  ALA  56           HB2      ALA  56 -11.782  -2.949   6.343
  435    HB3  ALA  56           HB3      ALA  56 -10.598  -2.048   7.290
  436    H    ASP  57           H        ASP  57 -13.496  -4.481   9.158
  437    HA   ASP  57           HA       ASP  57 -13.583  -2.835  11.441
  438    HB2  ASP  57           HB3      ASP  57 -14.873  -5.510  10.908
  439    HB3  ASP  57           HB2      ASP  57 -15.278  -4.490  12.283
  440    H    ASP  58           H        ASP  58 -12.225  -6.079  11.039
  441    HA   ASP  58           HA       ASP  58 -11.782  -6.711  13.755
  442    HB2  ASP  58           HB3      ASP  58 -11.400  -8.240  11.797
  443    HB3  ASP  58           HB2      ASP  58  -9.910  -7.357  11.477
  444    H    VAL  59           H        VAL  59  -9.811  -4.763  11.537
  445    HA   VAL  59           HA       VAL  59  -8.278  -3.806  13.919
  446    HB   VAL  59           HB       VAL  59  -7.166  -4.246  11.143
  447   HG11  VAL  59          HG11      VAL  59  -6.245  -2.829  13.527
  448   HG12  VAL  59          HG12      VAL  59  -5.603  -2.790  11.885
  449   HG13  VAL  59          HG13      VAL  59  -5.100  -4.063  12.998
  450   HG21  VAL  59          HG21      VAL  59  -7.502  -6.409  12.086
  451   HG22  VAL  59          HG22      VAL  59  -7.010  -5.866  13.690
  452   HG23  VAL  59          HG23      VAL  59  -5.811  -6.025  12.408
  453    H    GLU  60           H        GLU  60  -8.101  -1.587  14.069
  454    HA   GLU  60           HA       GLU  60  -9.589  -0.001  12.081
  455    HB2  GLU  60           HB3      GLU  60  -9.807   0.414  14.545
  456    HB3  GLU  60           HB2      GLU  60  -8.126   0.933  14.568
  457    HG2  GLU  60           HG3      GLU  60  -8.677   2.664  12.874
  458    HG3  GLU  60           HG2      GLU  60 -10.367   2.187  12.979
  459    H    LEU  61           H        LEU  61  -8.628   1.242  10.516
  460    HA   LEU  61           HA       LEU  61  -5.678   1.160  10.349
  461    HB2  LEU  61           HB3      LEU  61  -7.717   2.123   8.323
  462    HB3  LEU  61           HB2      LEU  61  -6.008   1.838   8.033
  463    HG   LEU  61           HG       LEU  61  -8.053  -0.243   8.808
  464   HD11  LEU  61          HD11      LEU  61  -6.434  -0.533   6.360
  465   HD12  LEU  61          HD12      LEU  61  -7.561   0.824   6.333
  466   HD13  LEU  61          HD13      LEU  61  -8.158  -0.813   6.608
  467   HD21  LEU  61          HD21      LEU  61  -5.954  -1.725   8.201
  468   HD22  LEU  61          HD22      LEU  61  -6.106  -1.039   9.819
  469   HD23  LEU  61          HD23      LEU  61  -5.056  -0.269   8.628
  470    H    SER  62           H        SER  62  -4.426   3.022  10.390
  471    HA   SER  62           HA       SER  62  -5.857   5.544  11.080
  472    HB2  SER  62           HB3      SER  62  -4.450   5.517  12.853
  473    HB3  SER  62           HB2      SER  62  -3.489   4.217  12.153
  474    HG   SER  62           HG       SER  62  -2.171   5.970  12.190
  475    HA   PRO  63           HA       PRO  63  -4.557   7.532   7.389
  476    HB2  PRO  63           HB2      PRO  63  -3.292   9.808   8.498
  477    HB3  PRO  63           HB3      PRO  63  -4.993   9.669   8.025
  478    HG2  PRO  63           HG3      PRO  63  -3.753   9.477  10.697
  479    HG3  PRO  63           HG2      PRO  63  -5.373  10.024  10.233
  480    HD2  PRO  63           HD3      PRO  63  -4.941   7.615  11.414
  481    HD3  PRO  63           HD2      PRO  63  -6.247   7.873  10.235
  482    H    GLU  64           H        GLU  64  -2.212   6.947   9.912
  483    HA   GLU  64           HA       GLU  64   0.142   7.616   8.391
  484    HB2  GLU  64           HB3      GLU  64  -0.247   5.794  10.769
  485    HB3  GLU  64           HB2      GLU  64   1.315   6.283  10.137
  486    HG2  GLU  64           HG3      GLU  64   0.698   8.650  10.515
  487    HG3  GLU  64           HG2      GLU  64  -0.821   8.116  11.225
  488    H    HIS  65           H        HIS  65  -1.935   4.826   8.593
  489    HA   HIS  65           HA       HIS  65  -0.118   2.901   7.501
  490    HB2  HIS  65           HB3      HIS  65  -2.008   1.889   8.394
  491    HB3  HIS  65           HB2      HIS  65  -3.090   3.127   7.758
  492    HD1  HIS  65           HD1      HIS  65  -1.944  -0.252   7.088
  493    HD2  HIS  65           HD2      HIS  65  -3.321   2.930   4.770
  494    HE1  HIS  65           HE1      HIS  65  -2.640  -1.231   4.854
  495    HE2  HIS  65           HE2      HIS  65  -3.470   0.697   3.437
  496    H    PHE  66           H        PHE  66  -1.814   5.549   6.139
  497    HA   PHE  66           HA       PHE  66  -1.462   4.496   3.389
  498    HB2  PHE  66           HB3      PHE  66  -2.779   7.090   4.219
  499    HB3  PHE  66           HB2      PHE  66  -2.952   6.235   2.689
  500    HD1  PHE  66           HD1      PHE  66  -3.514   5.806   6.361
  501    HD2  PHE  66           HD2      PHE  66  -4.703   4.698   2.386
  502    HE1  PHE  66           HE1      PHE  66  -5.428   4.531   7.291
  503    HE2  PHE  66           HE2      PHE  66  -6.614   3.421   3.318
  504    HZ   PHE  66           HZ       PHE  66  -6.973   3.345   5.772
  505    H    ARG  67           H        ARG  67   0.574   5.692   5.397
  506    HA   ARG  67           HA       ARG  67   1.527   8.172   4.521
  507    HB2  ARG  67           HB3      ARG  67   3.668   7.479   5.457
  508    HB3  ARG  67           HB2      ARG  67   2.355   6.909   6.481
  509    HG2  ARG  67           HG3      ARG  67   2.615   4.817   4.742
  510    HG3  ARG  67           HG2      ARG  67   4.281   5.373   4.845
  511    HD2  ARG  67           HD3      ARG  67   3.539   5.397   7.494
  512    HD3  ARG  67           HD2      ARG  67   2.614   4.029   6.872
  513    HE   ARG  67           HE       ARG  67   5.079   3.503   5.863
  514   HH11  ARG  67          HH22      ARG  67   3.962   4.528   8.962
  515   HH12  ARG  67          HH21      ARG  67   5.243   3.749   9.829
  516   HH21  ARG  67          HH11      ARG  67   6.761   2.479   6.984
  517   HH22  ARG  67          HH12      ARG  67   6.826   2.591   8.711
  518    H    SER  68           H        SER  68   2.097   4.954   3.061
  519    HA   SER  68           HA       SER  68   2.680   6.203   0.511
  520    HB2  SER  68           HB3      SER  68   5.006   5.729   0.311
  521    HB3  SER  68           HB2      SER  68   4.824   6.510   1.879
  522    HG   SER  68           HG       SER  68   4.597   4.267   2.689
  523    H    ILE  69           H        ILE  69   3.332   4.537  -1.144
  524    HA   ILE  69           HA       ILE  69   1.648   2.252  -1.057
  525    HB   ILE  69           HB       ILE  69   4.195   2.556  -2.681
  526   HG12  ILE  69          HG13      ILE  69   2.965   4.570  -3.050
  527   HG13  ILE  69          HG12      ILE  69   2.599   3.523  -4.416
  528   HG21  ILE  69          HG21      ILE  69   3.510   0.665  -3.662
  529   HG22  ILE  69          HG22      ILE  69   1.973   1.427  -4.065
  530   HG23  ILE  69          HG23      ILE  69   2.161   0.579  -2.531
  531   HD11  ILE  69          HD11      ILE  69   0.871   4.172  -2.035
  532   HD12  ILE  69          HD12      ILE  69   0.575   2.738  -3.018
  533   HD13  ILE  69          HD13      ILE  69   0.491   4.340  -3.750
  534    H    ARG  70           H        ARG  70   5.009   2.780  -0.193
  535    HA   ARG  70           HA       ARG  70   5.892   0.114   0.117
  536    HB2  ARG  70           HB3      ARG  70   6.594   2.521   1.828
  537    HB3  ARG  70           HB2      ARG  70   7.567   1.064   1.637
  538    HG2  ARG  70           HG3      ARG  70   8.196   1.601  -0.536
  539    HG3  ARG  70           HG2      ARG  70   6.770   2.601  -0.813
  540    HD2  ARG  70           HD3      ARG  70   8.696   4.059  -0.588
  541    HD3  ARG  70           HD2      ARG  70   7.678   4.262   0.836
  542    HE   ARG  70           HE       ARG  70   9.496   2.286   1.565
  543   HH11  ARG  70          HH22      ARG  70   9.623   5.490   0.298
  544   HH12  ARG  70          HH21      ARG  70  11.128   5.876   1.064
  545   HH21  ARG  70          HH11      ARG  70  11.460   2.770   2.572
  546   HH22  ARG  70          HH12      ARG  70  12.168   4.335   2.351
  547    H    SER  71           H        SER  71   4.246   2.259   2.430
  548    HA   SER  71           HA       SER  71   4.246   0.379   4.605
  549    HB2  SER  71           HB3      SER  71   3.825   2.876   4.763
  550    HB3  SER  71           HB2      SER  71   2.216   2.572   4.117
  551    HG   SER  71           HG       SER  71   2.803   0.857   6.117
  552    H    ILE  72           H        ILE  72   1.917   1.073   2.011
  553    HA   ILE  72           HA       ILE  72  -0.207  -0.535   2.957
  554    HB   ILE  72           HB       ILE  72   0.626   0.014   0.095
  555   HG12  ILE  72          HG13      ILE  72  -1.327   1.485   1.896
  556   HG13  ILE  72          HG12      ILE  72   0.301   2.048   1.517
  557   HG21  ILE  72          HG21      ILE  72  -1.784  -0.365  -0.365
  558   HG22  ILE  72          HG22      ILE  72  -2.012  -0.824   1.322
  559   HG23  ILE  72          HG23      ILE  72  -0.994  -1.806   0.270
  560   HD11  ILE  72          HD11      ILE  72  -0.918   1.397  -0.956
  561   HD12  ILE  72          HD12      ILE  72  -0.502   3.002  -0.354
  562   HD13  ILE  72          HD13      ILE  72  -2.103   2.331  -0.042
  563    H    ASP  73           H        ASP  73   2.440  -1.400   0.698
  564    HA   ASP  73           HA       ASP  73   1.668  -4.118   0.360
  565    HB2  ASP  73           HB3      ASP  73   3.471  -2.805  -0.914
  566    HB3  ASP  73           HB2      ASP  73   4.536  -3.164   0.442
  567    H    ALA  74           H        ALA  74   3.784  -2.572   2.754
  568    HA   ALA  74           HA       ALA  74   4.521  -4.995   4.100
  569    HB1  ALA  74           HB1      ALA  74   5.714  -3.609   5.463
  570    HB2  ALA  74           HB2      ALA  74   4.341  -2.530   5.720
  571    HB3  ALA  74           HB3      ALA  74   5.311  -2.390   4.254
  572    H    PHE  75           H        PHE  75   1.917  -2.639   4.644
  573    HA   PHE  75           HA       PHE  75   0.905  -3.843   7.034
  574    HB2  PHE  75           HB3      PHE  75   0.280  -1.567   6.196
  575    HB3  PHE  75           HB2      PHE  75  -0.666  -2.348   4.931
  576    HD1  PHE  75           HD2      PHE  75  -0.392  -1.732   8.556
  577    HD2  PHE  75           HD1      PHE  75  -2.736  -3.529   5.437
  578    HE1  PHE  75           HE2      PHE  75  -2.286  -2.003  10.135
  579    HE2  PHE  75           HE1      PHE  75  -4.630  -3.799   7.016
  580    HZ   PHE  75           HZ       PHE  75  -4.404  -3.036   9.365
  581    H    VAL  76           H        VAL  76   0.007  -4.286   3.607
  582    HA   VAL  76           HA       VAL  76  -2.060  -6.190   4.044
  583    HB   VAL  76           HB       VAL  76  -0.160  -5.735   1.728
  584   HG11  VAL  76          HG11      VAL  76  -0.878  -8.019   1.562
  585   HG12  VAL  76          HG12      VAL  76  -1.862  -7.083   0.440
  586   HG13  VAL  76          HG13      VAL  76  -2.533  -7.589   1.989
  587   HG21  VAL  76          HG21      VAL  76  -3.075  -5.243   1.533
  588   HG22  VAL  76          HG22      VAL  76  -1.728  -4.269   0.944
  589   HG23  VAL  76          HG23      VAL  76  -2.205  -4.180   2.639
  590    H    VAL  77           H        VAL  77   1.434  -6.637   3.404
  591    HA   VAL  77           HA       VAL  77   1.332  -9.508   3.623
  592    HB   VAL  77           HB       VAL  77   3.580  -7.490   3.852
  593   HG11  VAL  77          HG11      VAL  77   3.611 -10.511   3.954
  594   HG12  VAL  77          HG12      VAL  77   4.284  -9.383   5.130
  595   HG13  VAL  77          HG13      VAL  77   5.035  -9.555   3.543
  596   HG21  VAL  77          HG21      VAL  77   2.170  -8.328   1.659
  597   HG22  VAL  77          HG22      VAL  77   3.486  -9.503   1.689
  598   HG23  VAL  77          HG23      VAL  77   3.846  -7.779   1.605
  599    H    GLY  78           H        GLY  78   2.124  -6.881   5.865
  600    HA2  GLY  78           HA3      GLY  78   2.850  -8.533   8.081
  601    HA3  GLY  78           HA2      GLY  78   2.339  -6.851   8.192
  602    H    ALA  79           H        ALA  79  -0.253  -7.479   6.837
  603    HA   ALA  79           HA       ALA  79  -1.789  -7.981   9.208
  604    HB1  ALA  79           HB1      ALA  79  -2.943  -6.714   7.627
  605    HB2  ALA  79           HB2      ALA  79  -3.669  -8.305   7.401
  606    HB3  ALA  79           HB3      ALA  79  -2.427  -7.737   6.285
  607    H    THR  80           H        THR  80  -0.863 -10.060   6.481
  608    HA   THR  80           HA       THR  80  -2.415 -12.305   7.542
  609    HB   THR  80           HB       THR  80  -1.514 -13.555   5.658
  610    HG1  THR  80           HG1      THR  80   0.393 -13.062   4.986
  611   HG21  THR  80          HG21      THR  80  -2.929 -12.476   4.283
  612   HG22  THR  80          HG22      THR  80  -1.817 -11.116   4.136
  613   HG23  THR  80          HG23      THR  80  -2.987 -11.160   5.455
  614    H    THR  81           H        THR  81   0.900 -11.168   7.615
  615    HA   THR  81           HA       THR  81   1.511 -13.368   9.514
  616    HB   THR  81           HB       THR  81   3.927 -12.919   8.372
  617    HG1  THR  81           HG1      THR  81   3.728 -12.236   6.399
  618   HG21  THR  81          HG21      THR  81   2.848 -15.107   8.732
  619   HG22  THR  81          HG22      THR  81   3.527 -14.996   7.109
  620   HG23  THR  81          HG23      THR  81   1.791 -14.806   7.352
  621    HA   PRO  82           HA       PRO  82   3.017 -10.008  12.010
  622    HB2  PRO  82           HB2      PRO  82   4.757 -11.302  13.644
  623    HB3  PRO  82           HB3      PRO  82   2.999 -11.520  13.760
  624    HG2  PRO  82           HG3      PRO  82   5.044 -13.273  12.486
  625    HG3  PRO  82           HG2      PRO  82   3.625 -13.711  13.454
  626    HD2  PRO  82           HD3      PRO  82   3.677 -13.835  10.705
  627    HD3  PRO  82           HD2      PRO  82   2.192 -13.590  11.654
  628    HA   PRO  83           HA       PRO  83   6.884  -9.235   9.687
  629    HB2  PRO  83           HB2      PRO  83   6.809  -6.513   9.826
  630    HB3  PRO  83           HB3      PRO  83   5.910  -7.463   8.633
  631    HG2  PRO  83           HG3      PRO  83   4.958  -6.101  11.074
  632    HG3  PRO  83           HG2      PRO  83   4.112  -6.420   9.554
  633    HD2  PRO  83           HD3      PRO  83   3.786  -7.866  11.933
  634    HD3  PRO  83           HD2      PRO  83   3.275  -8.401  10.321
  635    H    VAL  84           H        VAL  84   8.978  -8.657  10.302
  636    HA   VAL  84           HA       VAL  84   9.311  -8.003  13.198
  637    HB   VAL  84           HB       VAL  84  11.340  -9.147  11.253
  638   HG11  VAL  84          HG11      VAL  84  12.845  -8.885  12.910
  639   HG12  VAL  84          HG12      VAL  84  11.767  -9.658  14.072
  640   HG13  VAL  84          HG13      VAL  84  11.643  -7.925  13.773
  641   HG21  VAL  84          HG21      VAL  84  10.928 -11.283  12.434
  642   HG22  VAL  84          HG22      VAL  84   9.463 -10.703  11.642
  643   HG23  VAL  84          HG23      VAL  84   9.660 -10.510  13.384
  644    H    GLU  85           H        GLU  85   9.908  -5.942  13.641
  645    HA   GLU  85           HA       GLU  85  10.438  -3.677  13.117
  646    HB2  GLU  85           HB3      GLU  85  12.947  -5.223  12.400
  647    HB3  GLU  85           HB2      GLU  85  12.885  -3.491  12.732
  648    HG2  GLU  85           HG3      GLU  85  11.975  -3.981  14.994
  649    HG3  GLU  85           HG2      GLU  85  12.132  -5.706  14.661
  650    H    ALA  86           H        ALA  86   9.163  -5.066  10.829
  651    HA   ALA  86           HA       ALA  86  10.619  -4.441   8.419
  652    HB1  ALA  86           HB1      ALA  86   7.616  -4.690   8.710
  653    HB2  ALA  86           HB2      ALA  86   8.699  -6.079   8.615
  654    HB3  ALA  86           HB3      ALA  86   8.578  -4.961   7.257
  655    H    LYS  87           H        LYS  87  10.593  -2.599   7.169
  656    HA   LYS  87           HA       LYS  87  10.494  -0.259   6.867
  657    HB2  LYS  87           HB3      LYS  87   8.315  -1.236   5.951
  658    HB3  LYS  87           HB2      LYS  87   7.559  -0.697   7.451
  659    HG2  LYS  87           HG3      LYS  87   8.303   1.616   6.994
  660    HG3  LYS  87           HG2      LYS  87   9.042   1.075   5.487
  661    HD2  LYS  87           HD3      LYS  87   6.760   0.219   4.793
  662    HD3  LYS  87           HD2      LYS  87   6.099   1.047   6.204
  663    HE2  LYS  87           HE3      LYS  87   5.990   2.394   4.071
  664    HE3  LYS  87           HE2      LYS  87   6.856   3.192   5.384
  665    HZ1  LYS  87           HZ1      LYS  87   8.319   1.513   3.460
  666    HZ2  LYS  87           HZ2      LYS  87   8.887   2.801   4.405
  667    HZ3  LYS  87           HZ3      LYS  87   7.909   3.110   3.050
  668    H    LEU  88           H        LEU  88  11.433  -0.601   9.362
  669    HA   LEU  88           HA       LEU  88  11.462   0.272  11.553
  670    HB2  LEU  88           HB3      LEU  88  10.347   2.531   9.877
  671    HB3  LEU  88           HB2      LEU  88  10.743   2.728  11.584
  672    HG   LEU  88           HG       LEU  88  13.060   1.812  11.012
  673   HD11  LEU  88          HD11      LEU  88  13.638   2.286   8.542
  674   HD12  LEU  88          HD12      LEU  88  11.900   2.212   8.250
  675   HD13  LEU  88          HD13      LEU  88  12.748   0.804   8.890
  676   HD21  LEU  88          HD21      LEU  88  12.286   4.400   9.634
  677   HD22  LEU  88          HD22      LEU  88  13.860   3.986  10.316
  678   HD23  LEU  88          HD23      LEU  88  12.478   4.242  11.380
  679    H    GLN  89           H        GLN  89   9.866  -1.192  12.442
  680    HA   GLN  89           HA       GLN  89   7.313   0.196  13.092
  681    HB2  GLN  89           HB3      GLN  89   6.928  -1.433  11.218
  682    HB3  GLN  89           HB2      GLN  89   7.479  -2.722  12.287
  683    HG2  GLN  89           HG3      GLN  89   5.094  -2.707  12.458
  684    HG3  GLN  89           HG2      GLN  89   5.689  -1.941  13.932
  685   HE21  GLN  89          HE22      GLN  89   4.671   0.004  14.416
  686   HE22  GLN  89          HE21      GLN  89   3.939   1.033  13.281
  Start of MODEL   16
    1    H1   SER  -1           H1       SER  -1  15.078  -4.533  -0.653
    2    H2   SER  -1           H2       SER  -1  15.510  -4.761  -2.281
    3    H3   SER  -1           H3       SER  -1  14.164  -5.572  -1.634
    4    HA   SER  -1           HA       SER  -1  13.741  -2.867  -1.177
    5    HB2  SER  -1           HB3      SER  -1  13.951  -3.105  -4.104
    6    HB3  SER  -1           HB2      SER  -1  14.358  -1.751  -3.056
    7    HG   SER  -1           HG       SER  -1  16.337  -2.362  -3.426
    8    H    GLU   0           H        GLU   0  13.228  -5.318  -3.742
    9    HA   GLU   0           HA       GLU   0  10.480  -4.761  -4.165
   10    HB2  GLU   0           HB3      GLU   0  11.941  -7.411  -4.395
   11    HB3  GLU   0           HB2      GLU   0  10.357  -7.063  -5.086
   12    HG2  GLU   0           HG3      GLU   0  11.366  -5.216  -6.410
   13    HG3  GLU   0           HG2      GLU   0  12.951  -5.647  -5.766
   14    H    MET   1           H        MET   1   8.588  -5.601  -3.210
   15    HA   MET   1           HA       MET   1   8.995  -6.838  -0.526
   16    HB2  MET   1           HB3      MET   1   6.549  -5.448  -1.680
   17    HB3  MET   1           HB2      MET   1   6.757  -5.986  -0.011
   18    HG2  MET   1           HG3      MET   1   8.769  -4.466   0.136
   19    HG3  MET   1           HG2      MET   1   8.322  -3.830  -1.446
   20    HE1  MET   1           HE1      MET   1   5.888  -4.818   1.754
   21    HE2  MET   1           HE2      MET   1   6.339  -3.331   2.597
   22    HE3  MET   1           HE3      MET   1   7.583  -4.467   2.082
   23    H    GLN   2           H        GLN   2   5.852  -7.124  -1.361
   24    HA   GLN   2           HA       GLN   2   6.220  -9.857  -2.528
   25    HB2  GLN   2           HB3      GLN   2   4.029  -8.916  -0.647
   26    HB3  GLN   2           HB2      GLN   2   4.210 -10.545  -1.298
   27    HG2  GLN   2           HG3      GLN   2   6.222  -9.129   0.473
   28    HG3  GLN   2           HG2      GLN   2   5.117 -10.401   0.996
   29   HE21  GLN   2          HE22      GLN   2   8.268 -10.092   0.374
   30   HE22  GLN   2          HE21      GLN   2   8.603 -11.572  -0.386
   31    H    HIS   3           H        HIS   3   5.545  -9.737  -4.638
   32    HA   HIS   3           HA       HIS   3   4.355  -8.954  -6.520
   33    HB2  HIS   3           HB3      HIS   3   2.077  -8.989  -4.511
   34    HB3  HIS   3           HB2      HIS   3   1.926  -9.071  -6.266
   35    HD1  HIS   3           HD1      HIS   3   2.883 -11.114  -3.273
   36    HD2  HIS   3           HD2      HIS   3   2.643 -11.593  -7.410
   37    HE1  HIS   3           HE1      HIS   3   3.111 -13.598  -3.723
   38    HE2  HIS   3           HE2      HIS   3   2.967 -13.900  -6.237
   39    H    ALA   4           H        ALA   4   5.606  -6.965  -4.740
   40    HA   ALA   4           HA       ALA   4   3.958  -4.736  -4.192
   41    HB1  ALA   4           HB1      ALA   4   6.661  -5.302  -4.003
   42    HB2  ALA   4           HB2      ALA   4   5.911  -3.755  -3.610
   43    HB3  ALA   4           HB3      ALA   4   6.611  -4.014  -5.208
   44    H    SER   5           H        SER   5   5.609  -5.672  -7.202
   45    HA   SER   5           HA       SER   5   5.002  -3.294  -8.667
   46    HB2  SER   5           HB3      SER   5   5.510  -4.591 -10.649
   47    HB3  SER   5           HB2      SER   5   6.628  -5.078  -9.379
   48    HG   SER   5           HG       SER   5   4.217  -6.391 -10.119
   49    H    VAL   6           H        VAL   6   3.142  -6.219  -8.016
   50    HA   VAL   6           HA       VAL   6   1.055  -5.724  -9.921
   51    HB   VAL   6           HB       VAL   6   1.046  -7.238  -7.307
   52   HG11  VAL   6          HG11      VAL   6  -1.045  -6.930  -9.463
   53   HG12  VAL   6          HG12      VAL   6  -1.234  -6.717  -7.723
   54   HG13  VAL   6          HG13      VAL   6  -1.012  -8.332  -8.395
   55   HG21  VAL   6          HG21      VAL   6   2.513  -8.294  -8.868
   56   HG22  VAL   6          HG22      VAL   6   1.408  -8.000 -10.211
   57   HG23  VAL   6          HG23      VAL   6   0.995  -9.186  -8.974
   58    H    ILE   7           H        ILE   7   1.423  -4.855  -6.497
   59    HA   ILE   7           HA       ILE   7  -1.110  -3.639  -6.133
   60    HB   ILE   7           HB       ILE   7   1.540  -2.867  -4.881
   61   HG12  ILE   7          HG13      ILE   7  -0.595  -4.769  -3.866
   62   HG13  ILE   7          HG12      ILE   7   0.883  -5.295  -4.674
   63   HG21  ILE   7          HG21      ILE   7  -0.132  -1.163  -4.477
   64   HG22  ILE   7          HG22      ILE   7   0.036  -2.118  -3.003
   65   HG23  ILE   7          HG23      ILE   7  -1.341  -2.382  -4.073
   66   HD11  ILE   7          HD11      ILE   7   2.127  -4.967  -2.817
   67   HD12  ILE   7          HD12      ILE   7   0.600  -4.820  -1.945
   68   HD13  ILE   7          HD13      ILE   7   1.421  -3.376  -2.539
   69    H    ALA   8           H        ALA   8   1.991  -2.197  -7.149
   70    HA   ALA   8           HA       ALA   8   1.007   0.464  -7.427
   71    HB1  ALA   8           HB1      ALA   8   3.082   0.961  -8.303
   72    HB2  ALA   8           HB2      ALA   8   3.153  -0.524  -9.253
   73    HB3  ALA   8           HB3      ALA   8   3.455  -0.573  -7.515
   74    H    GLN   9           H        GLN   9   1.297  -2.148  -9.869
   75    HA   GLN   9           HA       GLN   9   0.306  -0.512 -12.019
   76    HB2  GLN   9           HB3      GLN   9   0.347  -3.522 -11.690
   77    HB3  GLN   9           HB2      GLN   9  -0.028  -2.685 -13.196
   78    HG2  GLN   9           HG3      GLN   9   2.199  -1.572 -13.095
   79    HG3  GLN   9           HG2      GLN   9   2.576  -2.513 -11.652
   80   HE21  GLN   9          HE22      GLN   9   3.187  -4.719 -11.931
   81   HE22  GLN   9          HE21      GLN   9   3.326  -5.458 -13.453
   82    H    PHE  10           H        PHE  10  -1.322  -2.921  -9.944
   83    HA   PHE  10           HA       PHE  10  -3.885  -2.529 -11.206
   84    HB2  PHE  10           HB3      PHE  10  -4.186  -4.452 -10.085
   85    HB3  PHE  10           HB2      PHE  10  -2.798  -4.135  -9.049
   86    HD1  PHE  10           HD1      PHE  10  -6.264  -2.747  -9.553
   87    HD2  PHE  10           HD2      PHE  10  -3.229  -4.001  -6.793
   88    HE1  PHE  10           HE1      PHE  10  -7.777  -2.235  -7.653
   89    HE2  PHE  10           HE2      PHE  10  -4.726  -3.488  -4.897
   90    HZ   PHE  10           HZ       PHE  10  -7.009  -2.604  -5.323
   91    H    VAL  11           H        VAL  11  -2.538  -1.320  -8.124
   92    HA   VAL  11           HA       VAL  11  -4.826   0.192  -7.372
   93    HB   VAL  11           HB       VAL  11  -2.686  -0.324  -6.010
   94   HG11  VAL  11          HG11      VAL  11  -1.277   0.845  -7.842
   95   HG12  VAL  11          HG12      VAL  11  -0.876   1.184  -6.160
   96   HG13  VAL  11          HG13      VAL  11  -1.811   2.350  -7.096
   97   HG21  VAL  11          HG21      VAL  11  -4.189   2.291  -6.032
   98   HG22  VAL  11          HG22      VAL  11  -2.942   1.981  -4.825
   99   HG23  VAL  11          HG23      VAL  11  -4.357   0.933  -4.919
  100    H    VAL  12           H        VAL  12  -2.068   1.031  -9.450
  101    HA   VAL  12           HA       VAL  12  -2.722   3.793  -9.771
  102    HB   VAL  12           HB       VAL  12  -1.251   1.849 -11.546
  103   HG11  VAL  12          HG11      VAL  12  -0.430   3.982 -12.680
  104   HG12  VAL  12          HG12      VAL  12  -1.765   4.812 -11.880
  105   HG13  VAL  12          HG13      VAL  12  -2.096   3.522 -13.038
  106   HG21  VAL  12          HG21      VAL  12   0.675   2.665 -10.541
  107   HG22  VAL  12          HG22      VAL  12  -0.455   2.818  -9.197
  108   HG23  VAL  12          HG23      VAL  12  -0.056   4.228 -10.178
  109    H    GLU  13           H        GLU  13  -3.693   0.917 -11.655
  110    HA   GLU  13           HA       GLU  13  -5.156   2.346 -13.641
  111    HB2  GLU  13           HB3      GLU  13  -5.453  -0.455 -12.569
  112    HB3  GLU  13           HB2      GLU  13  -6.360   0.154 -13.945
  113    HG2  GLU  13           HG3      GLU  13  -4.240   0.690 -15.098
  114    HG3  GLU  13           HG2      GLU  13  -3.351   0.022 -13.735
  115    H    GLU  14           H        GLU  14  -6.042   1.215 -10.428
  116    HA   GLU  14           HA       GLU  14  -8.862   1.653 -10.682
  117    HB2  GLU  14           HB3      GLU  14  -7.776   0.345  -8.842
  118    HB3  GLU  14           HB2      GLU  14  -7.182   1.863  -8.168
  119    HG2  GLU  14           HG3      GLU  14  -9.533   2.678  -8.015
  120    HG3  GLU  14           HG2      GLU  14 -10.087   1.104  -8.586
  121    H    PHE  15           H        PHE  15  -6.179   3.818  -9.921
  122    HA   PHE  15           HA       PHE  15  -8.158   6.038  -9.601
  123    HB2  PHE  15           HB3      PHE  15  -6.695   5.611  -7.640
  124    HB3  PHE  15           HB2      PHE  15  -5.286   5.928  -8.652
  125    HD1  PHE  15           HD1      PHE  15  -8.407   7.440  -7.299
  126    HD2  PHE  15           HD2      PHE  15  -4.608   8.148  -9.171
  127    HE1  PHE  15           HE1      PHE  15  -8.668   9.875  -6.906
  128    HE2  PHE  15           HE2      PHE  15  -4.868  10.583  -8.780
  129    HZ   PHE  15           HZ       PHE  15  -6.899  11.447  -7.647
  130    H    LEU  16           H        LEU  16  -4.755   5.697 -10.727
  131    HA   LEU  16           HA       LEU  16  -5.431   7.700 -12.844
  132    HB2  LEU  16           HB3      LEU  16  -3.091   7.317 -11.070
  133    HB3  LEU  16           HB2      LEU  16  -2.737   7.783 -12.734
  134    HG   LEU  16           HG       LEU  16  -4.862   9.225 -11.165
  135   HD11  LEU  16          HD11      LEU  16  -3.217  10.819 -10.379
  136   HD12  LEU  16          HD12      LEU  16  -1.927   9.983 -11.241
  137   HD13  LEU  16          HD13      LEU  16  -2.703   9.214  -9.858
  138   HD21  LEU  16          HD21      LEU  16  -4.040   9.351 -13.784
  139   HD22  LEU  16          HD22      LEU  16  -3.074  10.629 -13.046
  140   HD23  LEU  16          HD23      LEU  16  -4.833  10.670 -12.924
  141    HA   PRO  17           HA       PRO  17  -4.272   3.808 -15.085
  142    HB2  PRO  17           HB2      PRO  17  -6.292   3.928 -16.930
  143    HB3  PRO  17           HB3      PRO  17  -6.451   3.127 -15.356
  144    HG2  PRO  17           HG3      PRO  17  -7.474   5.754 -16.250
  145    HG3  PRO  17           HG2      PRO  17  -8.160   4.603 -15.097
  146    HD2  PRO  17           HD3      PRO  17  -6.810   6.929 -14.404
  147    HD3  PRO  17           HD2      PRO  17  -7.053   5.540 -13.329
  148    H    ASP  18           H        ASP  18  -4.702   7.111 -15.941
  149    HA   ASP  18           HA       ASP  18  -3.709   6.794 -18.681
  150    HB2  ASP  18           HB3      ASP  18  -4.288   9.217 -16.974
  151    HB3  ASP  18           HB2      ASP  18  -3.734   9.304 -18.641
  152    H    VAL  19           H        VAL  19  -2.267   6.584 -15.734
  153    HA   VAL  19           HA       VAL  19   0.272   7.840 -16.708
  154    HB   VAL  19           HB       VAL  19  -0.542   7.228 -13.850
  155   HG11  VAL  19          HG11      VAL  19   1.424   8.628 -13.305
  156   HG12  VAL  19          HG12      VAL  19   1.782   8.786 -15.025
  157   HG13  VAL  19          HG13      VAL  19   1.889   7.209 -14.243
  158   HG21  VAL  19          HG21      VAL  19  -1.925   9.021 -14.817
  159   HG22  VAL  19          HG22      VAL  19  -0.474   9.851 -15.379
  160   HG23  VAL  19          HG23      VAL  19  -0.784   9.690 -13.650
  161    H    ALA  20           H        ALA  20   2.029   6.506 -16.936
  162    HA   ALA  20           HA       ALA  20   1.655   3.649 -16.825
  163    HB1  ALA  20           HB1      ALA  20   4.429   4.631 -16.866
  164    HB2  ALA  20           HB2      ALA  20   3.396   5.323 -18.118
  165    HB3  ALA  20           HB3      ALA  20   3.592   3.575 -18.004
  166    HA   PRO  21           HA       PRO  21   2.413   3.395 -12.339
  167    HB2  PRO  21           HB2      PRO  21   3.010   0.562 -13.029
  168    HB3  PRO  21           HB3      PRO  21   1.909   1.215 -11.803
  169    HG2  PRO  21           HG3      PRO  21   1.040   0.142 -14.104
  170    HG3  PRO  21           HG2      PRO  21   0.193   1.459 -13.279
  171    HD2  PRO  21           HD3      PRO  21   1.788   1.537 -15.781
  172    HD3  PRO  21           HD2      PRO  21   0.477   2.607 -15.235
  173    H    ALA  22           H        ALA  22   4.553   2.130 -14.845
  174    HA   ALA  22           HA       ALA  22   6.830   1.639 -13.171
  175    HB1  ALA  22           HB1      ALA  22   6.769   2.452 -16.095
  176    HB2  ALA  22           HB2      ALA  22   6.626   0.797 -15.503
  177    HB3  ALA  22           HB3      ALA  22   8.124   1.696 -15.256
  178    H    ASP  23           H        ASP  23   5.432   4.539 -14.494
  179    HA   ASP  23           HA       ASP  23   7.832   6.160 -14.070
  180    HB2  ASP  23           HB3      ASP  23   6.141   6.682 -15.841
  181    HB3  ASP  23           HB2      ASP  23   4.980   7.057 -14.567
  182    H    VAL  24           H        VAL  24   5.839   4.726 -11.924
  183    HA   VAL  24           HA       VAL  24   5.774   7.075 -10.071
  184    HB   VAL  24           HB       VAL  24   4.394   4.416  -9.676
  185   HG11  VAL  24          HG11      VAL  24   4.806   6.539  -7.975
  186   HG12  VAL  24          HG12      VAL  24   3.493   5.372  -7.829
  187   HG13  VAL  24          HG13      VAL  24   3.219   6.910  -8.648
  188   HG21  VAL  24          HG21      VAL  24   3.611   5.374 -11.804
  189   HG22  VAL  24          HG22      VAL  24   3.331   6.928 -11.017
  190   HG23  VAL  24          HG23      VAL  24   2.355   5.528 -10.575
  191    H    ASP  25           H        ASP  25   7.185   7.067  -8.375
  192    HA   ASP  25           HA       ASP  25   8.864   4.666  -7.981
  193    HB2  ASP  25           HB3      ASP  25   8.968   7.444  -6.764
  194    HB3  ASP  25           HB2      ASP  25  10.124   6.159  -6.409
  195    H    VAL  26           H        VAL  26   8.255   3.170  -6.482
  196    HA   VAL  26           HA       VAL  26   6.089   3.661  -4.632
  197    HB   VAL  26           HB       VAL  26   6.614   1.419  -3.776
  198   HG11  VAL  26          HG11      VAL  26   5.946   2.083  -6.438
  199   HG12  VAL  26          HG12      VAL  26   5.600   0.573  -5.596
  200   HG13  VAL  26          HG13      VAL  26   7.080   0.736  -6.540
  201   HG21  VAL  26          HG21      VAL  26   9.213   2.066  -5.000
  202   HG22  VAL  26          HG22      VAL  26   8.640   0.436  -5.355
  203   HG23  VAL  26          HG23      VAL  26   8.837   0.955  -3.682
  204    H    ASP  27           H        ASP  27   9.111   4.883  -4.590
  205    HA   ASP  27           HA       ASP  27   9.591   4.516  -1.692
  206    HB2  ASP  27           HB3      ASP  27  11.171   5.896  -3.880
  207    HB3  ASP  27           HB2      ASP  27  11.661   5.859  -2.189
  208    H    LEU  28           H        LEU  28   7.828   6.522  -3.682
  209    HA   LEU  28           HA       LEU  28   8.235   8.944  -2.019
  210    HB2  LEU  28           HB3      LEU  28   8.065   9.160  -4.501
  211    HB3  LEU  28           HB2      LEU  28   6.426   8.524  -4.418
  212    HG   LEU  28           HG       LEU  28   5.854  10.401  -2.839
  213   HD11  LEU  28          HD11      LEU  28   7.830  11.193  -1.913
  214   HD12  LEU  28          HD12      LEU  28   7.584  12.379  -3.194
  215   HD13  LEU  28          HD13      LEU  28   8.721  11.053  -3.429
  216   HD21  LEU  28          HD21      LEU  28   6.179  10.427  -5.656
  217   HD22  LEU  28          HD22      LEU  28   6.724  12.001  -5.075
  218   HD23  LEU  28          HD23      LEU  28   5.099  11.434  -4.693
  219    H    ASP  29           H        ASP  29   6.684   9.627  -0.544
  220    HA   ASP  29           HA       ASP  29   4.885   7.731   0.525
  221    HB2  ASP  29           HB3      ASP  29   4.826  10.760   0.692
  222    HB3  ASP  29           HB2      ASP  29   3.824   9.697   1.679
  223    H    LEU  30           H        LEU  30   2.812   7.195   0.048
  224    HA   LEU  30           HA       LEU  30   1.714   7.814  -2.510
  225    HB2  LEU  30           HB3      LEU  30   1.242   5.737  -1.180
  226    HB3  LEU  30           HB2      LEU  30   0.257   6.712  -0.094
  227    HG   LEU  30           HG       LEU  30  -1.161   7.386  -2.022
  228   HD11  LEU  30          HD11      LEU  30   0.893   5.765  -3.457
  229   HD12  LEU  30          HD12      LEU  30   0.059   7.228  -3.975
  230   HD13  LEU  30          HD13      LEU  30  -0.769   5.673  -4.036
  231   HD21  LEU  30          HD21      LEU  30  -1.233   5.052  -0.607
  232   HD22  LEU  30          HD22      LEU  30  -1.162   4.433  -2.256
  233   HD23  LEU  30          HD23      LEU  30  -2.465   5.521  -1.778
  234    H    VAL  31           H        VAL  31   1.053   9.118   0.720
  235    HA   VAL  31           HA       VAL  31  -1.257  10.631  -0.047
  236    HB   VAL  31           HB       VAL  31   0.722  11.048   2.201
  237   HG11  VAL  31          HG11      VAL  31  -0.242  13.103   2.322
  238   HG12  VAL  31          HG12      VAL  31  -1.657  12.240   2.924
  239   HG13  VAL  31          HG13      VAL  31  -1.538  12.654   1.213
  240   HG21  VAL  31          HG21      VAL  31  -1.373   9.175   1.719
  241   HG22  VAL  31          HG22      VAL  31  -1.939  10.287   2.967
  242   HG23  VAL  31          HG23      VAL  31  -0.437   9.391   3.198
  243    H    ASP  32           H        ASP  32   2.204  11.424  -0.078
  244    HA   ASP  32           HA       ASP  32   2.018  14.196  -0.546
  245    HB2  ASP  32           HB3      ASP  32   3.952  12.160  -1.695
  246    HB3  ASP  32           HB2      ASP  32   4.150  13.904  -1.880
  247    H    ASN  33           H        ASN  33   1.443  11.477  -2.679
  248    HA   ASN  33           HA       ASN  33   1.244  13.000  -5.120
  249    HB2  ASN  33           HB3      ASN  33   0.192  10.299  -4.288
  250    HB3  ASN  33           HB2      ASN  33   0.021  10.936  -5.917
  251   HD21  ASN  33          HD22      ASN  33   1.557   8.568  -5.402
  252   HD22  ASN  33          HD21      ASN  33   3.190   8.911  -5.712
  253    H    GLY  34           H        GLY  34  -1.043  12.064  -2.598
  254    HA2  GLY  34           HA3      GLY  34  -3.102  13.172  -2.105
  255    HA3  GLY  34           HA2      GLY  34  -2.962  14.053  -3.629
  256    H    VAL  35           H        VAL  35  -2.285  10.848  -4.188
  257    HA   VAL  35           HA       VAL  35  -4.599  10.397  -5.790
  258    HB   VAL  35           HB       VAL  35  -2.623   8.444  -4.573
  259   HG11  VAL  35          HG11      VAL  35  -5.071   8.059  -6.190
  260   HG12  VAL  35          HG12      VAL  35  -4.225   6.923  -5.139
  261   HG13  VAL  35          HG13      VAL  35  -3.643   7.208  -6.780
  262   HG21  VAL  35          HG21      VAL  35  -2.157  10.342  -6.454
  263   HG22  VAL  35          HG22      VAL  35  -2.741   9.035  -7.483
  264   HG23  VAL  35          HG23      VAL  35  -1.340   8.779  -6.443
  265    H    ILE  36           H        ILE  36  -3.872   9.705  -2.416
  266    HA   ILE  36           HA       ILE  36  -6.316   8.122  -2.062
  267    HB   ILE  36           HB       ILE  36  -4.397   9.246   0.000
  268   HG12  ILE  36          HG13      ILE  36  -4.570   6.451  -1.157
  269   HG13  ILE  36          HG12      ILE  36  -3.401   7.659  -1.674
  270   HG21  ILE  36          HG21      ILE  36  -5.732   6.826   0.747
  271   HG22  ILE  36          HG22      ILE  36  -6.944   8.002   0.240
  272   HG23  ILE  36          HG23      ILE  36  -5.809   8.403   1.530
  273   HD11  ILE  36          HD11      ILE  36  -2.064   7.074   0.042
  274   HD12  ILE  36          HD12      ILE  36  -3.278   5.926   0.610
  275   HD13  ILE  36          HD13      ILE  36  -3.322   7.603   1.159
  276    H    ASP  37           H        ASP  37  -8.229   9.119  -1.940
  277    HA   ASP  37           HA       ASP  37  -8.382  11.823  -0.691
  278    HB2  ASP  37           HB3      ASP  37 -10.090  10.505  -2.821
  279    HB3  ASP  37           HB2      ASP  37 -10.505  12.023  -2.036
  280    H    ALA  38           H        ALA  38 -10.954  12.028  -0.002
  281    HA   ALA  38           HA       ALA  38 -11.251  10.350   2.280
  282    HB1  ALA  38           HB1      ALA  38 -12.421  12.610   1.727
  283    HB2  ALA  38           HB2      ALA  38 -13.348  11.394   2.606
  284    HB3  ALA  38           HB3      ALA  38 -13.603  11.617   0.875
  285    H    LEU  39           H        LEU  39 -12.981  10.280  -0.837
  286    HA   LEU  39           HA       LEU  39 -14.248   7.738  -0.310
  287    HB2  LEU  39           HB3      LEU  39 -13.648   9.022  -2.988
  288    HB3  LEU  39           HB2      LEU  39 -14.851   7.780  -2.669
  289    HG   LEU  39           HG       LEU  39 -14.857  10.620  -1.645
  290   HD11  LEU  39          HD11      LEU  39 -16.753  10.934  -3.017
  291   HD12  LEU  39          HD12      LEU  39 -17.001   9.199  -3.216
  292   HD13  LEU  39          HD13      LEU  39 -15.652   9.995  -4.027
  293   HD21  LEU  39          HD21      LEU  39 -15.713   9.423   0.181
  294   HD22  LEU  39          HD22      LEU  39 -16.431   8.184  -0.848
  295   HD23  LEU  39          HD23      LEU  39 -17.170   9.782  -0.747
  296    H    GLY  40           H        GLY  40 -11.247   8.854  -1.693
  297    HA2  GLY  40           HA3      GLY  40 -10.357   6.456  -2.913
  298    HA3  GLY  40           HA2      GLY  40  -9.296   7.708  -2.256
  299    H    LEU  41           H        LEU  41 -10.141   7.621   0.433
  300    HA   LEU  41           HA       LEU  41  -8.593   5.422   1.431
  301    HB2  LEU  41           HB3      LEU  41  -8.918   7.577   2.639
  302    HB3  LEU  41           HB2      LEU  41 -10.611   7.154   2.890
  303    HG   LEU  41           HG       LEU  41  -8.681   5.070   3.701
  304   HD11  LEU  41          HD11      LEU  41  -8.924   7.670   5.246
  305   HD12  LEU  41          HD12      LEU  41  -7.487   7.144   4.371
  306   HD13  LEU  41          HD13      LEU  41  -8.050   6.231   5.771
  307   HD21  LEU  41          HD21      LEU  41 -10.293   4.682   5.367
  308   HD22  LEU  41          HD22      LEU  41 -11.273   5.293   4.034
  309   HD23  LEU  41          HD23      LEU  41 -10.834   6.360   5.366
  310    H    LEU  42           H        LEU  42 -12.077   6.024   1.146
  311    HA   LEU  42           HA       LEU  42 -12.981   3.661   2.462
  312    HB2  LEU  42           HB3      LEU  42 -14.485   5.516   1.817
  313    HB3  LEU  42           HB2      LEU  42 -14.212   5.147   0.115
  314    HG   LEU  42           HG       LEU  42 -14.985   2.706   1.011
  315   HD11  LEU  42          HD11      LEU  42 -16.780   2.917   2.599
  316   HD12  LEU  42          HD12      LEU  42 -16.662   4.677   2.579
  317   HD13  LEU  42          HD13      LEU  42 -15.371   3.714   3.298
  318   HD21  LEU  42          HD21      LEU  42 -16.014   3.594  -0.900
  319   HD22  LEU  42          HD22      LEU  42 -16.538   5.053  -0.055
  320   HD23  LEU  42          HD23      LEU  42 -17.341   3.514   0.260
  321    H    LYS  43           H        LYS  43 -12.216   4.295  -0.944
  322    HA   LYS  43           HA       LYS  43 -12.823   1.711  -1.937
  323    HB2  LYS  43           HB3      LYS  43 -10.797   3.747  -2.879
  324    HB3  LYS  43           HB2      LYS  43 -11.245   2.311  -3.791
  325    HG2  LYS  43           HG3      LYS  43 -13.624   3.072  -3.744
  326    HG3  LYS  43           HG2      LYS  43 -13.096   4.558  -2.954
  327    HD2  LYS  43           HD3      LYS  43 -11.589   5.009  -4.894
  328    HD3  LYS  43           HD2      LYS  43 -12.246   3.583  -5.696
  329    HE2  LYS  43           HE3      LYS  43 -13.873   4.911  -6.517
  330    HE3  LYS  43           HE2      LYS  43 -14.500   5.028  -4.872
  331    HZ1  LYS  43           HZ1      LYS  43 -14.103   7.214  -5.772
  332    HZ2  LYS  43           HZ2      LYS  43 -12.488   6.825  -6.115
  333    HZ3  LYS  43           HZ3      LYS  43 -13.014   6.918  -4.502
  334    H    VAL  44           H        VAL  44  -9.909   3.005  -0.402
  335    HA   VAL  44           HA       VAL  44  -8.146   0.855  -0.980
  336    HB   VAL  44           HB       VAL  44  -8.299   2.714   1.400
  337   HG11  VAL  44          HG11      VAL  44  -6.413   0.483   0.717
  338   HG12  VAL  44          HG12      VAL  44  -7.032   0.978   2.293
  339   HG13  VAL  44          HG13      VAL  44  -5.776   1.929   1.500
  340   HG21  VAL  44          HG21      VAL  44  -6.012   2.938  -0.377
  341   HG22  VAL  44          HG22      VAL  44  -7.191   4.170   0.077
  342   HG23  VAL  44          HG23      VAL  44  -7.521   3.088  -1.276
  343    H    ILE  45           H        ILE  45 -10.245   1.357   1.862
  344    HA   ILE  45           HA       ILE  45  -9.650  -1.204   3.025
  345    HB   ILE  45           HB       ILE  45 -11.918   0.759   3.412
  346   HG12  ILE  45          HG13      ILE  45 -10.660   0.782   5.734
  347   HG13  ILE  45          HG12      ILE  45  -9.315   0.144   4.793
  348   HG21  ILE  45          HG21      ILE  45 -12.054  -0.759   5.612
  349   HG22  ILE  45          HG22      ILE  45 -11.492  -1.986   4.475
  350   HG23  ILE  45          HG23      ILE  45 -12.995  -1.117   4.165
  351   HD11  ILE  45          HD11      ILE  45 -10.840   2.659   4.065
  352   HD12  ILE  45          HD12      ILE  45  -9.365   2.057   3.310
  353   HD13  ILE  45          HD13      ILE  45  -9.326   2.650   4.969
  354    H    ALA  46           H        ALA  46 -12.024  -0.124   0.659
  355    HA   ALA  46           HA       ALA  46 -13.795  -2.359   0.854
  356    HB1  ALA  46           HB1      ALA  46 -14.536  -1.691  -1.411
  357    HB2  ALA  46           HB2      ALA  46 -13.148  -0.610  -1.532
  358    HB3  ALA  46           HB3      ALA  46 -14.401  -0.303  -0.331
  359    H    TRP  47           H        TRP  47 -11.044  -1.820  -1.403
  360    HA   TRP  47           HA       TRP  47 -11.361  -4.537  -2.455
  361    HB2  TRP  47           HB3      TRP  47 -10.236  -3.647  -4.180
  362    HB3  TRP  47           HB2      TRP  47 -10.002  -2.159  -3.264
  363    HD1  TRP  47           HD1      TRP  47  -8.385  -5.672  -3.526
  364    HE1  TRP  47           HE1      TRP  47  -5.851  -5.409  -3.108
  365    HE3  TRP  47           HE3      TRP  47  -8.186  -0.695  -2.554
  366    HZ2  TRP  47           HZ2      TRP  47  -3.987  -3.328  -2.448
  367    HZ3  TRP  47           HZ3      TRP  47  -6.033   0.423  -2.033
  368    HH2  TRP  47           HH2      TRP  47  -3.931  -0.892  -1.982
  369    H    LEU  48           H        LEU  48  -9.025  -2.859  -0.349
  370    HA   LEU  48           HA       LEU  48  -7.238  -5.032  -0.022
  371    HB2  LEU  48           HB3      LEU  48  -7.127  -2.541   0.827
  372    HB3  LEU  48           HB2      LEU  48  -7.891  -3.195   2.271
  373    HG   LEU  48           HG       LEU  48  -5.469  -3.188   2.565
  374   HD11  LEU  48          HD11      LEU  48  -5.224  -5.371   3.347
  375   HD12  LEU  48          HD12      LEU  48  -6.102  -6.066   1.988
  376   HD13  LEU  48          HD13      LEU  48  -6.977  -5.213   3.263
  377   HD21  LEU  48          HD21      LEU  48  -4.011  -3.737   0.923
  378   HD22  LEU  48          HD22      LEU  48  -5.403  -3.673  -0.157
  379   HD23  LEU  48          HD23      LEU  48  -4.888  -5.215   0.526
  380    H    GLU  49           H        GLU  49 -10.194  -4.192   1.792
  381    HA   GLU  49           HA       GLU  49  -9.949  -6.442   3.592
  382    HB2  GLU  49           HB3      GLU  49 -12.024  -5.766   4.463
  383    HB3  GLU  49           HB2      GLU  49 -11.310  -4.261   3.905
  384    HG2  GLU  49           HG3      GLU  49 -13.458  -4.133   3.005
  385    HG3  GLU  49           HG2      GLU  49 -12.535  -4.820   1.674
  386    H    ASP  50           H        ASP  50 -11.578  -5.899   0.502
  387    HA   ASP  50           HA       ASP  50 -13.169  -8.251   0.463
  388    HB2  ASP  50           HB3      ASP  50 -13.290  -6.343  -1.169
  389    HB3  ASP  50           HB2      ASP  50 -11.819  -6.968  -1.913
  390    H    ARG  51           H        ARG  51  -9.775  -7.758  -0.455
  391    HA   ARG  51           HA       ARG  51  -9.348 -10.278  -1.675
  392    HB2  ARG  51           HB3      ARG  51  -7.462  -8.482  -0.157
  393    HB3  ARG  51           HB2      ARG  51  -6.943  -9.892  -1.072
  394    HG2  ARG  51           HG3      ARG  51  -8.029  -8.927  -3.100
  395    HG3  ARG  51           HG2      ARG  51  -8.407  -7.481  -2.164
  396    HD2  ARG  51           HD3      ARG  51  -6.360  -7.074  -3.401
  397    HD3  ARG  51           HD2      ARG  51  -5.955  -7.220  -1.690
  398    HE   ARG  51           HE       ARG  51  -5.626  -9.789  -2.609
  399   HH11  ARG  51          HH22      ARG  51  -4.584  -6.672  -3.651
  400   HH12  ARG  51          HH21      ARG  51  -3.109  -7.252  -4.350
  401   HH21  ARG  51          HH11      ARG  51  -3.706 -10.565  -3.515
  402   HH22  ARG  51          HH12      ARG  51  -2.612  -9.455  -4.273
  403    H    PHE  52           H        PHE  52  -9.097  -9.356   1.773
  404    HA   PHE  52           HA       PHE  52  -8.602 -12.232   2.380
  405    HB2  PHE  52           HB3      PHE  52  -8.089  -9.691   3.938
  406    HB3  PHE  52           HB2      PHE  52  -7.972 -11.296   4.659
  407    HD1  PHE  52           HD2      PHE  52  -6.627  -9.078   2.010
  408    HD2  PHE  52           HD1      PHE  52  -6.131 -12.758   4.168
  409    HE1  PHE  52           HE2      PHE  52  -4.371  -9.353   1.023
  410    HE2  PHE  52           HE1      PHE  52  -3.874 -13.034   3.179
  411    HZ   PHE  52           HZ       PHE  52  -2.993 -11.331   1.606
  412    H    GLY  53           H        GLY  53 -11.040  -9.867   2.427
  413    HA2  GLY  53           HA3      GLY  53 -13.262 -10.023   3.169
  414    HA3  GLY  53           HA2      GLY  53 -12.929 -11.700   3.608
  415    H    ILE  54           H        ILE  54 -10.993  -9.032   4.811
  416    HA   ILE  54           HA       ILE  54 -11.837  -9.801   7.536
  417    HB   ILE  54           HB       ILE  54  -9.930  -8.257   8.215
  418   HG12  ILE  54          HG13      ILE  54  -9.413  -8.332   5.222
  419   HG13  ILE  54          HG12      ILE  54  -9.908  -6.906   6.132
  420   HG21  ILE  54          HG21      ILE  54  -9.666 -10.695   8.073
  421   HG22  ILE  54          HG22      ILE  54  -8.201  -9.888   7.516
  422   HG23  ILE  54          HG23      ILE  54  -9.331 -10.569   6.346
  423   HD11  ILE  54          HD11      ILE  54  -7.533  -6.757   5.925
  424   HD12  ILE  54          HD12      ILE  54  -7.320  -8.449   6.375
  425   HD13  ILE  54          HD13      ILE  54  -7.844  -7.274   7.582
  426    H    ALA  55           H        ALA  55 -13.317  -8.620   8.625
  427    HA   ALA  55           HA       ALA  55 -14.547  -6.295   7.485
  428    HB1  ALA  55           HB1      ALA  55 -16.063  -7.111   8.957
  429    HB2  ALA  55           HB2      ALA  55 -15.179  -6.191  10.173
  430    HB3  ALA  55           HB3      ALA  55 -14.820  -7.900   9.927
  431    H    ALA  56           H        ALA  56 -14.210  -4.118   7.880
  432    HA   ALA  56           HA       ALA  56 -11.624  -3.282   8.799
  433    HB1  ALA  56           HB1      ALA  56 -13.830  -1.299   8.857
  434    HB2  ALA  56           HB2      ALA  56 -13.565  -2.105   7.311
  435    HB3  ALA  56           HB3      ALA  56 -12.253  -1.205   8.072
  436    H    ASP  57           H        ASP  57 -14.753  -3.596  10.378
  437    HA   ASP  57           HA       ASP  57 -14.255  -2.056  12.697
  438    HB2  ASP  57           HB3      ASP  57 -15.880  -4.571  12.315
  439    HB3  ASP  57           HB2      ASP  57 -15.917  -3.599  13.781
  440    H    ASP  58           H        ASP  58 -13.341  -5.385  11.907
  441    HA   ASP  58           HA       ASP  58 -12.432  -6.185  14.467
  442    HB2  ASP  58           HB3      ASP  58 -11.435  -6.935  11.718
  443    HB3  ASP  58           HB2      ASP  58 -10.932  -7.751  13.196
  444    H    VAL  59           H        VAL  59 -10.756  -4.388  11.906
  445    HA   VAL  59           HA       VAL  59  -8.637  -3.725  13.912
  446    HB   VAL  59           HB       VAL  59  -8.238  -4.109  10.940
  447   HG11  VAL  59          HG11      VAL  59  -6.353  -2.933  11.319
  448   HG12  VAL  59          HG12      VAL  59  -5.814  -4.260  12.348
  449   HG13  VAL  59          HG13      VAL  59  -6.670  -2.889  13.052
  450   HG21  VAL  59          HG21      VAL  59  -6.714  -6.007  12.170
  451   HG22  VAL  59          HG22      VAL  59  -8.334  -6.310  11.541
  452   HG23  VAL  59          HG23      VAL  59  -8.106  -5.952  13.252
  453    H    GLU  60           H        GLU  60  -8.256  -1.547  14.139
  454    HA   GLU  60           HA       GLU  60  -9.893   0.279  12.492
  455    HB2  GLU  60           HB3      GLU  60  -9.745   0.543  14.980
  456    HB3  GLU  60           HB2      GLU  60  -8.038   0.927  14.800
  457    HG2  GLU  60           HG3      GLU  60  -8.659   2.806  13.299
  458    HG3  GLU  60           HG2      GLU  60 -10.355   2.454  13.608
  459    H    LEU  61           H        LEU  61  -9.054   1.451  10.823
  460    HA   LEU  61           HA       LEU  61  -6.153   1.229  10.308
  461    HB2  LEU  61           HB3      LEU  61  -8.510   2.065   8.621
  462    HB3  LEU  61           HB2      LEU  61  -6.848   2.283   8.086
  463    HG   LEU  61           HG       LEU  61  -7.853   0.151   7.274
  464   HD11  LEU  61          HD11      LEU  61  -5.822  -0.847   7.373
  465   HD12  LEU  61          HD12      LEU  61  -5.821  -0.866   9.137
  466   HD13  LEU  61          HD13      LEU  61  -5.330   0.590   8.271
  467   HD21  LEU  61          HD21      LEU  61  -9.171  -0.098   9.507
  468   HD22  LEU  61          HD22      LEU  61  -7.692  -0.845  10.110
  469   HD23  LEU  61          HD23      LEU  61  -8.543  -1.554   8.738
  470    H    SER  62           H        SER  62  -4.800   2.975  10.465
  471    HA   SER  62           HA       SER  62  -6.038   5.593  11.170
  472    HB2  SER  62           HB3      SER  62  -4.636   5.452  12.942
  473    HB3  SER  62           HB2      SER  62  -3.775   4.088  12.236
  474    HG   SER  62           HG       SER  62  -3.415   6.628  11.121
  475    HA   PRO  63           HA       PRO  63  -4.571   7.479   7.487
  476    HB2  PRO  63           HB2      PRO  63  -3.194   9.684   8.585
  477    HB3  PRO  63           HB3      PRO  63  -4.906   9.635   8.132
  478    HG2  PRO  63           HG3      PRO  63  -3.645   9.369  10.792
  479    HG3  PRO  63           HG2      PRO  63  -5.228  10.026  10.346
  480    HD2  PRO  63           HD3      PRO  63  -4.952   7.591  11.519
  481    HD3  PRO  63           HD2      PRO  63  -6.248   7.941  10.351
  482    H    GLU  64           H        GLU  64  -2.307   6.761  10.046
  483    HA   GLU  64           HA       GLU  64   0.111   7.283   8.572
  484    HB2  GLU  64           HB3      GLU  64  -0.431   5.475  10.931
  485    HB3  GLU  64           HB2      GLU  64   1.168   5.882  10.336
  486    HG2  GLU  64           HG3      GLU  64   0.671   8.278  10.717
  487    HG3  GLU  64           HG2      GLU  64  -0.887   7.822  11.394
  488    H    HIS  65           H        HIS  65  -2.134   4.622   8.735
  489    HA   HIS  65           HA       HIS  65  -0.418   2.600   7.655
  490    HB2  HIS  65           HB3      HIS  65  -2.379   1.705   8.522
  491    HB3  HIS  65           HB2      HIS  65  -3.376   2.999   7.861
  492    HD1  HIS  65           HD1      HIS  65  -2.391  -0.438   7.224
  493    HD2  HIS  65           HD2      HIS  65  -3.565   2.801   4.871
  494    HE1  HIS  65           HE1      HIS  65  -3.085  -1.391   4.978
  495    HE2  HIS  65           HE2      HIS  65  -3.793   0.571   3.539
  496    H    PHE  66           H        PHE  66  -1.963   5.342   6.292
  497    HA   PHE  66           HA       PHE  66  -1.646   4.296   3.540
  498    HB2  PHE  66           HB3      PHE  66  -2.783   6.966   4.398
  499    HB3  PHE  66           HB2      PHE  66  -2.985   6.163   2.846
  500    HD1  PHE  66           HD1      PHE  66  -3.644   5.664   6.496
  501    HD2  PHE  66           HD2      PHE  66  -4.848   4.790   2.467
  502    HE1  PHE  66           HE1      PHE  66  -5.670   4.518   7.352
  503    HE2  PHE  66           HE2      PHE  66  -6.874   3.641   3.325
  504    HZ   PHE  66           HZ       PHE  66  -7.281   3.512   5.768
  505    H    ARG  67           H        ARG  67   0.445   5.329   5.584
  506    HA   ARG  67           HA       ARG  67   1.605   7.732   4.736
  507    HB2  ARG  67           HB3      ARG  67   3.662   6.866   5.709
  508    HB3  ARG  67           HB2      ARG  67   2.294   6.370   6.700
  509    HG2  ARG  67           HG3      ARG  67   2.407   4.302   4.939
  510    HG3  ARG  67           HG2      ARG  67   4.110   4.735   5.029
  511    HD2  ARG  67           HD3      ARG  67   3.457   4.768   7.675
  512    HD3  ARG  67           HD2      ARG  67   2.349   3.532   7.078
  513    HE   ARG  67           HE       ARG  67   4.206   2.137   6.637
  514   HH11  ARG  67          HH22      ARG  67   5.110   5.395   7.311
  515   HH12  ARG  67          HH21      ARG  67   6.804   5.047   7.399
  516   HH21  ARG  67          HH11      ARG  67   6.411   1.666   6.741
  517   HH22  ARG  67          HH12      ARG  67   7.541   2.935   7.076
  518    H    SER  68           H        SER  68   1.907   4.490   3.270
  519    HA   SER  68           HA       SER  68   2.672   5.669   0.741
  520    HB2  SER  68           HB3      SER  68   4.843   5.882   1.859
  521    HB3  SER  68           HB2      SER  68   4.797   4.182   2.309
  522    HG   SER  68           HG       SER  68   5.627   5.301   0.029
  523    H    ILE  69           H        ILE  69   3.021   4.005  -0.928
  524    HA   ILE  69           HA       ILE  69   1.184   1.859  -0.775
  525    HB   ILE  69           HB       ILE  69   3.636   1.838  -2.537
  526   HG12  ILE  69          HG13      ILE  69   1.709   3.132  -4.002
  527   HG13  ILE  69          HG12      ILE  69   1.446   3.811  -2.395
  528   HG21  ILE  69          HG21      ILE  69   1.701   0.036  -2.379
  529   HG22  ILE  69          HG22      ILE  69   2.360   0.515  -3.943
  530   HG23  ILE  69          HG23      ILE  69   0.838   1.204  -3.377
  531   HD11  ILE  69          HD11      ILE  69   3.087   5.243  -3.233
  532   HD12  ILE  69          HD12      ILE  69   3.888   3.958  -4.131
  533   HD13  ILE  69          HD13      ILE  69   4.066   4.054  -2.380
  534    H    ARG  70           H        ARG  70   4.603   2.116  -0.028
  535    HA   ARG  70           HA       ARG  70   5.300  -0.613   0.225
  536    HB2  ARG  70           HB3      ARG  70   6.181   1.699   1.987
  537    HB3  ARG  70           HB2      ARG  70   7.042   0.178   1.763
  538    HG2  ARG  70           HG3      ARG  70   7.656   0.702  -0.435
  539    HG3  ARG  70           HG2      ARG  70   6.369   1.898  -0.610
  540    HD2  ARG  70           HD3      ARG  70   8.549   3.010  -0.337
  541    HD3  ARG  70           HD2      ARG  70   7.500   3.358   1.036
  542    HE   ARG  70           HE       ARG  70   8.971   2.101   2.409
  543   HH11  ARG  70          HH22      ARG  70   9.577   1.654  -0.954
  544   HH12  ARG  70          HH21      ARG  70  11.058   0.790  -0.709
  545   HH21  ARG  70          HH11      ARG  70  10.900   0.974   2.751
  546   HH22  ARG  70          HH12      ARG  70  11.807   0.405   1.389
  547    H    SER  71           H        SER  71   3.772   1.596   2.553
  548    HA   SER  71           HA       SER  71   3.683  -0.287   4.723
  549    HB2  SER  71           HB3      SER  71   2.222   1.296   5.783
  550    HB3  SER  71           HB2      SER  71   3.406   2.232   4.877
  551    HG   SER  71           HG       SER  71   1.194   1.509   3.426
  552    H    ILE  72           H        ILE  72   1.535   0.413   2.010
  553    HA   ILE  72           HA       ILE  72  -0.758  -0.977   2.940
  554    HB   ILE  72           HB       ILE  72   0.238  -0.693   0.090
  555   HG12  ILE  72          HG13      ILE  72  -1.539   1.119   1.761
  556   HG13  ILE  72          HG12      ILE  72   0.116   1.477   1.271
  557   HG21  ILE  72          HG21      ILE  72  -1.688  -1.681  -0.512
  558   HG22  ILE  72          HG22      ILE  72  -2.615  -0.568   0.494
  559   HG23  ILE  72          HG23      ILE  72  -1.973  -2.056   1.188
  560   HD11  ILE  72          HD11      ILE  72  -1.001   2.545  -0.438
  561   HD12  ILE  72          HD12      ILE  72  -2.377   1.444  -0.369
  562   HD13  ILE  72          HD13      ILE  72  -0.878   0.935  -1.148
  563    H    ASP  73           H        ASP  73   1.932  -2.120   0.869
  564    HA   ASP  73           HA       ASP  73   1.029  -4.824   0.685
  565    HB2  ASP  73           HB3      ASP  73   2.913  -3.670  -0.641
  566    HB3  ASP  73           HB2      ASP  73   3.936  -3.995   0.756
  567    H    ALA  74           H        ALA  74   3.135  -3.178   3.005
  568    HA   ALA  74           HA       ALA  74   3.805  -5.494   4.549
  569    HB1  ALA  74           HB1      ALA  74   4.671  -2.935   4.520
  570    HB2  ALA  74           HB2      ALA  74   4.939  -4.021   5.885
  571    HB3  ALA  74           HB3      ALA  74   3.602  -2.870   5.922
  572    H    PHE  75           H        PHE  75   1.142  -3.161   4.742
  573    HA   PHE  75           HA       PHE  75   0.086  -4.020   7.244
  574    HB2  PHE  75           HB3      PHE  75  -0.623  -1.958   6.021
  575    HB3  PHE  75           HB2      PHE  75  -1.470  -2.989   4.871
  576    HD1  PHE  75           HD2      PHE  75  -1.337  -1.899   8.409
  577    HD2  PHE  75           HD1      PHE  75  -3.553  -4.056   5.428
  578    HE1  PHE  75           HE2      PHE  75  -3.285  -2.012   9.938
  579    HE2  PHE  75           HE1      PHE  75  -5.501  -4.169   6.957
  580    HZ   PHE  75           HZ       PHE  75  -5.368  -3.147   9.213
  581    H    VAL  76           H        VAL  76  -0.669  -5.096   3.923
  582    HA   VAL  76           HA       VAL  76  -2.645  -7.022   4.634
  583    HB   VAL  76           HB       VAL  76  -0.707  -6.814   2.317
  584   HG11  VAL  76          HG11      VAL  76  -2.270  -8.514   1.252
  585   HG12  VAL  76          HG12      VAL  76  -2.880  -8.835   2.874
  586   HG13  VAL  76          HG13      VAL  76  -1.188  -9.144   2.491
  587   HG21  VAL  76          HG21      VAL  76  -3.652  -6.644   1.997
  588   HG22  VAL  76          HG22      VAL  76  -2.381  -5.675   1.251
  589   HG23  VAL  76          HG23      VAL  76  -2.906  -5.324   2.899
  590    H    VAL  77           H        VAL  77   0.874  -7.364   4.120
  591    HA   VAL  77           HA       VAL  77   0.953 -10.157   4.796
  592    HB   VAL  77           HB       VAL  77   3.047  -7.972   4.699
  593   HG11  VAL  77          HG11      VAL  77   4.653  -9.955   4.760
  594   HG12  VAL  77          HG12      VAL  77   3.296 -10.916   5.347
  595   HG13  VAL  77          HG13      VAL  77   3.879  -9.545   6.290
  596   HG21  VAL  77          HG21      VAL  77   1.924  -8.848   2.582
  597   HG22  VAL  77          HG22      VAL  77   2.661 -10.410   2.939
  598   HG23  VAL  77          HG23      VAL  77   3.679  -9.004   2.625
  599    H    GLY  78           H        GLY  78   1.584  -7.183   6.636
  600    HA2  GLY  78           HA3      GLY  78   2.394  -8.441   9.061
  601    HA3  GLY  78           HA2      GLY  78   1.745  -6.810   8.939
  602    H    ALA  79           H        ALA  79  -0.815  -7.445   7.886
  603    HA   ALA  79           HA       ALA  79  -2.185  -8.120  10.333
  604    HB1  ALA  79           HB1      ALA  79  -3.115  -7.691   7.493
  605    HB2  ALA  79           HB2      ALA  79  -3.296  -6.607   8.873
  606    HB3  ALA  79           HB3      ALA  79  -4.231  -8.101   8.795
  607    H    THR  80           H        THR  80  -1.642  -9.917   7.303
  608    HA   THR  80           HA       THR  80  -3.119 -12.227   8.364
  609    HB   THR  80           HB       THR  80  -2.630 -13.267   6.210
  610    HG1  THR  80           HG1      THR  80  -1.363 -12.009   4.715
  611   HG21  THR  80          HG21      THR  80  -3.785 -10.577   6.463
  612   HG22  THR  80          HG22      THR  80  -4.430 -12.008   5.659
  613   HG23  THR  80          HG23      THR  80  -3.271 -10.974   4.823
  614    H    THR  81           H        THR  81   0.203 -11.207   7.930
  615    HA   THR  81           HA       THR  81   1.047 -13.653   9.391
  616    HB   THR  81           HB       THR  81   3.226 -13.117   7.871
  617    HG1  THR  81           HG1      THR  81   0.944 -12.181   6.559
  618   HG21  THR  81          HG21      THR  81   2.164 -15.310   8.148
  619   HG22  THR  81          HG22      THR  81   2.475 -14.993   6.442
  620   HG23  THR  81          HG23      THR  81   0.844 -14.812   7.089
  621    HA   PRO  82           HA       PRO  82   3.130 -11.090  12.319
  622    HB2  PRO  82           HB2      PRO  82   5.666 -12.434  11.516
  623    HB3  PRO  82           HB3      PRO  82   4.970 -12.218  13.131
  624    HG2  PRO  82           HG3      PRO  82   4.887 -14.558  11.776
  625    HG3  PRO  82           HG2      PRO  82   3.670 -14.069  12.963
  626    HD2  PRO  82           HD3      PRO  82   3.405 -14.310  10.045
  627    HD3  PRO  82           HD2      PRO  82   2.139 -14.186  11.285
  628    HA   PRO  83           HA       PRO  83   4.796  -7.683  10.042
  629    HB2  PRO  83           HB2      PRO  83   6.733  -6.805  11.874
  630    HB3  PRO  83           HB3      PRO  83   5.034  -6.312  11.826
  631    HG2  PRO  83           HG3      PRO  83   6.389  -8.255  13.585
  632    HG3  PRO  83           HG2      PRO  83   4.969  -7.245  13.895
  633    HD2  PRO  83           HD3      PRO  83   4.810  -9.934  13.422
  634    HD3  PRO  83           HD2      PRO  83   3.504  -8.800  13.015
  635    H    VAL  84           H        VAL  84   6.500  -7.219   8.646
  636    HA   VAL  84           HA       VAL  84   8.743  -9.188   8.669
  637    HB   VAL  84           HB       VAL  84   7.808  -7.366   6.430
  638   HG11  VAL  84          HG11      VAL  84  10.150  -9.016   6.830
  639   HG12  VAL  84          HG12      VAL  84   9.757  -7.961   5.472
  640   HG13  VAL  84          HG13      VAL  84   9.196  -9.632   5.480
  641   HG21  VAL  84          HG21      VAL  84   6.049  -8.876   6.587
  642   HG22  VAL  84          HG22      VAL  84   7.062 -10.143   7.277
  643   HG23  VAL  84          HG23      VAL  84   7.149  -9.786   5.553
  644    H    GLU  85           H        GLU  85  10.777  -8.480   9.110
  645    HA   GLU  85           HA       GLU  85  12.388  -6.951   9.933
  646    HB2  GLU  85           HB3      GLU  85  11.573  -5.708   7.288
  647    HB3  GLU  85           HB2      GLU  85  13.062  -5.347   8.162
  648    HG2  GLU  85           HG3      GLU  85  13.699  -7.747   8.023
  649    HG3  GLU  85           HG2      GLU  85  12.241  -8.058   7.079
  650    H    ALA  86           H        ALA  86   9.478  -6.323  10.608
  651    HA   ALA  86           HA       ALA  86   8.201  -4.492  11.396
  652    HB1  ALA  86           HB1      ALA  86  10.103  -2.972  12.722
  653    HB2  ALA  86           HB2      ALA  86  10.851  -4.568  12.645
  654    HB3  ALA  86           HB3      ALA  86   9.265  -4.373  13.391
  655    H    LYS  87           H        LYS  87   7.684  -3.396   9.428
  656    HA   LYS  87           HA       LYS  87   9.414  -1.667   7.993
  657    HB2  LYS  87           HB3      LYS  87   7.161  -2.438   7.207
  658    HB3  LYS  87           HB2      LYS  87   6.422  -1.328   8.362
  659    HG2  LYS  87           HG3      LYS  87   7.651   0.555   7.274
  660    HG3  LYS  87           HG2      LYS  87   8.253  -0.579   6.065
  661    HD2  LYS  87           HD3      LYS  87   5.891  -1.145   5.475
  662    HD3  LYS  87           HD2      LYS  87   5.346   0.097   6.602
  663    HE2  LYS  87           HE3      LYS  87   6.171   0.424   3.885
  664    HE3  LYS  87           HE2      LYS  87   5.620   1.664   5.011
  665    HZ1  LYS  87           HZ1      LYS  87   7.931   1.678   5.916
  666    HZ2  LYS  87           HZ2      LYS  87   7.791   2.252   4.326
  667    HZ3  LYS  87           HZ3      LYS  87   8.393   0.688   4.613
  668    H    LEU  88           H        LEU  88   7.338  -1.040  10.805
  669    HA   LEU  88           HA       LEU  88   7.660   1.788  10.889
  670    HB2  LEU  88           HB3      LEU  88   7.366  -0.122  13.230
  671    HB3  LEU  88           HB2      LEU  88   7.026   1.609  13.251
  672    HG   LEU  88           HG       LEU  88   5.592  -0.475  11.578
  673   HD11  LEU  88          HD11      LEU  88   3.656   0.136  12.978
  674   HD12  LEU  88          HD12      LEU  88   4.664   1.261  13.888
  675   HD13  LEU  88          HD13      LEU  88   4.978  -0.473  13.973
  676   HD21  LEU  88          HD21      LEU  88   5.467   1.410  10.224
  677   HD22  LEU  88          HD22      LEU  88   5.596   2.523  11.586
  678   HD23  LEU  88          HD23      LEU  88   4.077   1.684  11.274
  679    H    GLN  89           H        GLN  89   9.710  -0.842  12.067
  680    HA   GLN  89           HA       GLN  89  11.891   1.143  12.429
  681    HB2  GLN  89           HB3      GLN  89  11.058  -0.910  14.502
  682    HB3  GLN  89           HB2      GLN  89  12.536   0.052  14.579
  683    HG2  GLN  89           HG3      GLN  89  11.213   2.120  14.609
  684    HG3  GLN  89           HG2      GLN  89   9.723   1.183  14.482
  685   HE21  GLN  89          HE22      GLN  89  10.164   2.889  16.724
  686   HE22  GLN  89          HE21      GLN  89  10.369   1.927  18.107
  Start of MODEL   17
    1    H1   SER  -1           H1       SER  -1   9.300 -13.262  -2.185
    2    H2   SER  -1           H2       SER  -1   9.303 -12.453  -0.690
    3    H3   SER  -1           H3       SER  -1   8.595 -11.725  -2.053
    4    HA   SER  -1           HA       SER  -1   6.867 -13.378  -2.116
    5    HB2  SER  -1           HB3      SER  -1   7.830 -14.504   0.486
    6    HB3  SER  -1           HB2      SER  -1   6.850 -15.263  -0.765
    7    HG   SER  -1           HG       SER  -1   8.779 -15.206  -2.086
    8    H    GLU   0           H        GLU   0   8.388 -11.713   0.590
    9    HA   GLU   0           HA       GLU   0   6.063 -11.345   2.202
   10    HB2  GLU   0           HB3      GLU   0   8.498  -9.569   1.853
   11    HB3  GLU   0           HB2      GLU   0   7.299  -9.385   3.134
   12    HG2  GLU   0           HG3      GLU   0   7.782 -11.702   3.890
   13    HG3  GLU   0           HG2      GLU   0   9.029 -11.827   2.649
   14    H    MET   1           H        MET   1   7.264  -9.623  -0.635
   15    HA   MET   1           HA       MET   1   5.596  -7.325  -0.472
   16    HB2  MET   1           HB3      MET   1   6.689  -8.818  -2.869
   17    HB3  MET   1           HB2      MET   1   5.848  -7.273  -2.985
   18    HG2  MET   1           HG3      MET   1   7.524  -6.288  -1.419
   19    HG3  MET   1           HG2      MET   1   8.393  -7.822  -1.430
   20    HE1  MET   1           HE1      MET   1  10.404  -5.119  -3.305
   21    HE2  MET   1           HE2      MET   1  10.866  -6.735  -2.755
   22    HE3  MET   1           HE3      MET   1   9.862  -5.707  -1.736
   23    H    GLN   2           H        GLN   2   4.964 -10.580  -1.712
   24    HA   GLN   2           HA       GLN   2   2.959 -11.583  -2.398
   25    HB2  GLN   2           HB3      GLN   2   1.775  -9.407  -0.641
   26    HB3  GLN   2           HB2      GLN   2   0.919 -10.836  -1.220
   27    HG2  GLN   2           HG3      GLN   2   2.611 -12.268  -0.070
   28    HG3  GLN   2           HG2      GLN   2   3.352 -10.809   0.589
   29   HE21  GLN   2          HE22      GLN   2   0.146 -10.042   0.440
   30   HE22  GLN   2          HE21      GLN   2  -0.347 -10.544   1.985
   31    H    HIS   3           H        HIS   3   4.029  -9.910  -4.275
   32    HA   HIS   3           HA       HIS   3   3.362  -8.980  -6.330
   33    HB2  HIS   3           HB3      HIS   3   0.529  -8.699  -5.359
   34    HB3  HIS   3           HB2      HIS   3   1.124  -9.013  -6.985
   35    HD1  HIS   3           HD1      HIS   3   0.203 -10.718  -3.801
   36    HD2  HIS   3           HD2      HIS   3   1.923 -11.745  -7.460
   37    HE1  HIS   3           HE1      HIS   3   0.184 -13.250  -3.917
   38    HE2  HIS   3           HE2      HIS   3   1.229 -13.885  -6.139
   39    H    ALA   4           H        ALA   4   4.538  -7.304  -4.558
   40    HA   ALA   4           HA       ALA   4   2.993  -5.055  -3.720
   41    HB1  ALA   4           HB1      ALA   4   5.913  -5.455  -4.332
   42    HB2  ALA   4           HB2      ALA   4   5.141  -5.133  -2.777
   43    HB3  ALA   4           HB3      ALA   4   5.292  -3.846  -3.971
   44    H    SER   5           H        SER   5   4.746  -5.729  -6.736
   45    HA   SER   5           HA       SER   5   4.339  -3.200  -7.975
   46    HB2  SER   5           HB3      SER   5   4.488  -5.908  -9.326
   47    HB3  SER   5           HB2      SER   5   4.805  -4.346 -10.078
   48    HG   SER   5           HG       SER   5   6.418  -5.908  -8.552
   49    H    VAL   6           H        VAL   6   2.284  -6.086  -7.829
   50    HA   VAL   6           HA       VAL   6   0.338  -5.253  -9.730
   51    HB   VAL   6           HB       VAL   6   0.107  -6.972  -7.261
   52   HG11  VAL   6          HG11      VAL   6  -1.940  -6.283  -9.379
   53   HG12  VAL   6          HG12      VAL   6  -2.101  -6.118  -7.630
   54   HG13  VAL   6          HG13      VAL   6  -2.068  -7.720  -8.367
   55   HG21  VAL   6          HG21      VAL   6   1.489  -7.888  -9.066
   56   HG22  VAL   6          HG22      VAL   6   0.205  -7.572 -10.232
   57   HG23  VAL   6          HG23      VAL   6  -0.028  -8.780  -8.969
   58    H    ILE   7           H        ILE   7   0.557  -4.681  -6.234
   59    HA   ILE   7           HA       ILE   7  -1.891  -3.282  -5.934
   60    HB   ILE   7           HB       ILE   7   0.727  -2.843  -4.465
   61   HG12  ILE   7          HG13      ILE   7  -1.621  -4.597  -3.694
   62   HG13  ILE   7          HG12      ILE   7  -0.198  -5.213  -4.533
   63   HG21  ILE   7          HG21      ILE   7  -0.577  -1.068  -3.749
   64   HG22  ILE   7          HG22      ILE   7  -1.135  -2.316  -2.636
   65   HG23  ILE   7          HG23      ILE   7  -2.090  -1.915  -4.065
   66   HD11  ILE   7          HD11      ILE   7   0.255  -5.592  -2.237
   67   HD12  ILE   7          HD12      ILE   7  -0.356  -4.004  -1.771
   68   HD13  ILE   7          HD13      ILE   7   1.174  -4.142  -2.638
   69    H    ALA   8           H        ALA   8   1.393  -2.005  -6.549
   70    HA   ALA   8           HA       ALA   8   0.589   0.728  -6.766
   71    HB1  ALA   8           HB1      ALA   8   2.836   0.222  -8.466
   72    HB2  ALA   8           HB2      ALA   8   2.995  -0.769  -7.015
   73    HB3  ALA   8           HB3      ALA   8   2.814   0.980  -6.873
   74    H    GLN   9           H        GLN   9   1.012  -1.779  -9.288
   75    HA   GLN   9           HA       GLN   9   0.431   0.009 -11.463
   76    HB2  GLN   9           HB3      GLN   9   0.255  -3.004 -11.264
   77    HB3  GLN   9           HB2      GLN   9   0.078  -2.100 -12.769
   78    HG2  GLN   9           HG3      GLN   9   2.334  -1.109 -12.403
   79    HG3  GLN   9           HG2      GLN   9   2.514  -2.109 -10.963
   80   HE21  GLN   9          HE22      GLN   9   0.711  -3.973 -13.020
   81   HE22  GLN   9          HE21      GLN   9   1.954  -4.825 -13.802
   82    H    PHE  10           H        PHE  10  -1.654  -2.328  -9.734
   83    HA   PHE  10           HA       PHE  10  -3.962  -1.690 -11.343
   84    HB2  PHE  10           HB3      PHE  10  -4.700  -3.546 -10.331
   85    HB3  PHE  10           HB2      PHE  10  -3.334  -3.506  -9.221
   86    HD1  PHE  10           HD1      PHE  10  -3.487  -2.174  -7.107
   87    HD2  PHE  10           HD2      PHE  10  -6.881  -2.846  -9.643
   88    HE1  PHE  10           HE1      PHE  10  -4.993  -1.546  -5.252
   89    HE2  PHE  10           HE2      PHE  10  -8.396  -2.213  -7.783
   90    HZ   PHE  10           HZ       PHE  10  -7.451  -1.563  -5.583
   91    H    VAL  11           H        VAL  11  -2.959  -0.635  -8.082
   92    HA   VAL  11           HA       VAL  11  -5.235   1.018  -7.606
   93    HB   VAL  11           HB       VAL  11  -3.402   0.295  -5.947
   94   HG11  VAL  11          HG11      VAL  11  -2.104   2.856  -6.900
   95   HG12  VAL  11          HG12      VAL  11  -1.577   1.265  -7.447
   96   HG13  VAL  11          HG13      VAL  11  -1.473   1.687  -5.739
   97   HG21  VAL  11          HG21      VAL  11  -3.726   2.356  -4.597
   98   HG22  VAL  11          HG22      VAL  11  -5.230   1.825  -5.347
   99   HG23  VAL  11          HG23      VAL  11  -4.336   3.182  -6.030
  100    H    VAL  12           H        VAL  12  -2.119   1.717  -9.170
  101    HA   VAL  12           HA       VAL  12  -2.542   4.525  -9.497
  102    HB   VAL  12           HB       VAL  12  -0.918   2.539 -11.085
  103   HG11  VAL  12          HG11      VAL  12   0.230   4.644 -11.949
  104   HG12  VAL  12          HG12      VAL  12  -1.154   5.545 -11.331
  105   HG13  VAL  12          HG13      VAL  12  -1.381   4.340 -12.599
  106   HG21  VAL  12          HG21      VAL  12   0.147   4.756  -9.365
  107   HG22  VAL  12          HG22      VAL  12   0.881   3.201  -9.756
  108   HG23  VAL  12          HG23      VAL  12  -0.445   3.283  -8.598
  109    H    GLU  13           H        GLU  13  -3.326   1.763 -11.618
  110    HA   GLU  13           HA       GLU  13  -4.354   3.356 -13.753
  111    HB2  GLU  13           HB3      GLU  13  -4.874   0.503 -12.937
  112    HB3  GLU  13           HB2      GLU  13  -5.523   1.218 -14.405
  113    HG2  GLU  13           HG3      GLU  13  -3.232   1.773 -15.143
  114    HG3  GLU  13           HG2      GLU  13  -2.596   1.012 -13.689
  115    H    GLU  14           H        GLU  14  -5.874   1.978 -10.871
  116    HA   GLU  14           HA       GLU  14  -8.574   2.585 -11.620
  117    HB2  GLU  14           HB3      GLU  14  -7.923   1.031  -9.771
  118    HB3  GLU  14           HB2      GLU  14  -7.414   2.429  -8.825
  119    HG2  GLU  14           HG3      GLU  14  -9.716   3.356  -8.994
  120    HG3  GLU  14           HG2      GLU  14 -10.213   1.909  -9.873
  121    H    PHE  15           H        PHE  15  -6.112   4.446  -9.864
  122    HA   PHE  15           HA       PHE  15  -8.008   6.702  -9.594
  123    HB2  PHE  15           HB3      PHE  15  -6.533   6.060  -7.689
  124    HB3  PHE  15           HB2      PHE  15  -5.130   6.488  -8.671
  125    HD1  PHE  15           HD1      PHE  15  -8.281   7.851  -7.213
  126    HD2  PHE  15           HD2      PHE  15  -4.427   8.739  -8.886
  127    HE1  PHE  15           HE1      PHE  15  -8.545  10.228  -6.557
  128    HE2  PHE  15           HE2      PHE  15  -4.691  11.117  -8.235
  129    HZ   PHE  15           HZ       PHE  15  -6.750  11.862  -7.070
  130    H    LEU  16           H        LEU  16  -4.747   6.164 -10.994
  131    HA   LEU  16           HA       LEU  16  -5.275   8.514 -12.768
  132    HB2  LEU  16           HB3      LEU  16  -2.906   7.664 -11.208
  133    HB3  LEU  16           HB2      LEU  16  -2.590   8.300 -12.821
  134    HG   LEU  16           HG       LEU  16  -4.442   9.733 -10.932
  135   HD11  LEU  16          HD11      LEU  16  -1.518   9.450 -10.759
  136   HD12  LEU  16          HD12      LEU  16  -2.663  10.041  -9.554
  137   HD13  LEU  16          HD13      LEU  16  -2.066  11.125 -10.810
  138   HD21  LEU  16          HD21      LEU  16  -4.375  11.400 -12.489
  139   HD22  LEU  16          HD22      LEU  16  -3.850  10.112 -13.574
  140   HD23  LEU  16          HD23      LEU  16  -2.657  11.161 -12.808
  141    HA   PRO  17           HA       PRO  17  -4.779   4.746 -15.457
  142    HB2  PRO  17           HB2      PRO  17  -6.694   5.520 -17.284
  143    HB3  PRO  17           HB3      PRO  17  -7.006   4.492 -15.875
  144    HG2  PRO  17           HG3      PRO  17  -7.596   7.353 -16.291
  145    HG3  PRO  17           HG2      PRO  17  -8.450   6.148 -15.319
  146    HD2  PRO  17           HD3      PRO  17  -6.788   8.100 -14.291
  147    HD3  PRO  17           HD2      PRO  17  -7.196   6.589 -13.456
  148    H    ASP  18           H        ASP  18  -4.524   8.145 -15.936
  149    HA   ASP  18           HA       ASP  18  -3.430   7.828 -18.663
  150    HB2  ASP  18           HB3      ASP  18  -3.994  10.245 -16.947
  151    HB3  ASP  18           HB2      ASP  18  -3.271  10.333 -18.547
  152    H    VAL  19           H        VAL  19  -2.189   7.276 -15.721
  153    HA   VAL  19           HA       VAL  19   0.464   8.485 -16.419
  154    HB   VAL  19           HB       VAL  19  -0.551   7.741 -13.662
  155   HG11  VAL  19          HG11      VAL  19   1.970   9.000 -14.739
  156   HG12  VAL  19          HG12      VAL  19   1.808   7.642 -13.626
  157   HG13  VAL  19          HG13      VAL  19   1.450   9.280 -13.078
  158   HG21  VAL  19          HG21      VAL  19  -0.340  10.422 -15.068
  159   HG22  VAL  19          HG22      VAL  19  -0.635  10.231 -13.339
  160   HG23  VAL  19          HG23      VAL  19  -1.818   9.642 -14.507
  161    H    ALA  20           H        ALA  20   2.182   7.090 -16.577
  162    HA   ALA  20           HA       ALA  20   1.632   4.230 -16.581
  163    HB1  ALA  20           HB1      ALA  20   4.262   5.701 -16.887
  164    HB2  ALA  20           HB2      ALA  20   3.172   5.290 -18.212
  165    HB3  ALA  20           HB3      ALA  20   3.965   4.010 -17.293
  166    HA   PRO  21           HA       PRO  21   2.475   3.919 -12.116
  167    HB2  PRO  21           HB2      PRO  21   2.927   1.063 -12.796
  168    HB3  PRO  21           HB3      PRO  21   1.861   1.779 -11.575
  169    HG2  PRO  21           HG3      PRO  21   0.955   0.722 -13.882
  170    HG3  PRO  21           HG2      PRO  21   0.147   2.051 -13.039
  171    HD2  PRO  21           HD3      PRO  21   1.703   2.110 -15.559
  172    HD3  PRO  21           HD2      PRO  21   0.448   3.224 -14.971
  173    H    ALA  22           H        ALA  22   4.521   2.638 -14.681
  174    HA   ALA  22           HA       ALA  22   6.787   1.962 -13.060
  175    HB1  ALA  22           HB1      ALA  22   7.638   1.333 -15.052
  176    HB2  ALA  22           HB2      ALA  22   7.544   2.983 -15.669
  177    HB3  ALA  22           HB3      ALA  22   6.149   1.912 -15.799
  178    H    ASP  23           H        ASP  23   5.551   4.992 -14.280
  179    HA   ASP  23           HA       ASP  23   8.029   6.456 -13.739
  180    HB2  ASP  23           HB3      ASP  23   6.412   7.136 -15.529
  181    HB3  ASP  23           HB2      ASP  23   5.248   7.539 -14.266
  182    H    VAL  24           H        VAL  24   5.872   5.069 -11.710
  183    HA   VAL  24           HA       VAL  24   5.941   7.336  -9.754
  184    HB   VAL  24           HB       VAL  24   4.293   4.814  -9.534
  185   HG11  VAL  24          HG11      VAL  24   3.681   7.542  -8.412
  186   HG12  VAL  24          HG12      VAL  24   4.784   6.450  -7.574
  187   HG13  VAL  24          HG13      VAL  24   3.111   5.967  -7.860
  188   HG21  VAL  24          HG21      VAL  24   3.752   5.999 -11.659
  189   HG22  VAL  24          HG22      VAL  24   3.471   7.479 -10.741
  190   HG23  VAL  24          HG23      VAL  24   2.422   6.080 -10.503
  191    H    ASP  25           H        ASP  25   7.291   7.116  -8.026
  192    HA   ASP  25           HA       ASP  25   8.691   4.537  -7.669
  193    HB2  ASP  25           HB3      ASP  25   9.044   7.245  -6.346
  194    HB3  ASP  25           HB2      ASP  25  10.045   5.833  -6.006
  195    H    VAL  26           H        VAL  26   7.863   3.064  -6.240
  196    HA   VAL  26           HA       VAL  26   5.706   3.752  -4.443
  197    HB   VAL  26           HB       VAL  26   5.964   1.440  -3.619
  198   HG11  VAL  26          HG11      VAL  26   5.454   2.245  -6.304
  199   HG12  VAL  26          HG12      VAL  26   4.818   0.836  -5.455
  200   HG13  VAL  26          HG13      VAL  26   6.326   0.713  -6.362
  201   HG21  VAL  26          HG21      VAL  26   8.426   1.353  -3.632
  202   HG22  VAL  26          HG22      VAL  26   8.424   1.420  -5.394
  203   HG23  VAL  26          HG23      VAL  26   7.754   0.015  -4.564
  204    H    ASP  27           H        ASP  27   8.838   4.618  -4.286
  205    HA   ASP  27           HA       ASP  27   9.231   4.102  -1.402
  206    HB2  ASP  27           HB3      ASP  27  10.944   5.455  -3.507
  207    HB3  ASP  27           HB2      ASP  27  11.409   5.291  -1.817
  208    H    LEU  28           H        LEU  28   7.670   6.332  -3.323
  209    HA   LEU  28           HA       LEU  28   8.230   8.642  -1.544
  210    HB2  LEU  28           HB3      LEU  28   8.183   8.987  -4.008
  211    HB3  LEU  28           HB2      LEU  28   6.502   8.471  -4.032
  212    HG   LEU  28           HG       LEU  28   5.987  10.319  -2.397
  213   HD11  LEU  28          HD11      LEU  28   7.783  11.208  -1.350
  214   HD12  LEU  28          HD12      LEU  28   8.066  12.104  -2.842
  215   HD13  LEU  28          HD13      LEU  28   8.901  10.577  -2.559
  216   HD21  LEU  28          HD21      LEU  28   5.496  10.676  -4.735
  217   HD22  LEU  28          HD22      LEU  28   7.190  11.018  -5.090
  218   HD23  LEU  28          HD23      LEU  28   6.243  12.150  -4.122
  219    H    ASP  29           H        ASP  29   6.648   9.470  -0.155
  220    HA   ASP  29           HA       ASP  29   4.672   7.694   0.823
  221    HB2  ASP  29           HB3      ASP  29   4.849  10.714   1.043
  222    HB3  ASP  29           HB2      ASP  29   3.728   9.719   1.974
  223    H    LEU  30           H        LEU  30   2.693   7.191   0.095
  224    HA   LEU  30           HA       LEU  30   1.716   8.155  -2.418
  225    HB2  LEU  30           HB3      LEU  30   1.217   5.907  -1.474
  226    HB3  LEU  30           HB2      LEU  30   0.214   6.674  -0.247
  227    HG   LEU  30           HG       LEU  30  -1.183   7.668  -2.057
  228   HD11  LEU  30          HD11      LEU  30   0.946   6.419  -3.686
  229   HD12  LEU  30          HD12      LEU  30  -0.078   7.809  -4.046
  230   HD13  LEU  30          HD13      LEU  30  -0.693   6.173  -4.287
  231   HD21  LEU  30          HD21      LEU  30  -1.349   5.193  -1.002
  232   HD22  LEU  30          HD22      LEU  30  -1.131   4.757  -2.696
  233   HD23  LEU  30          HD23      LEU  30  -2.487   5.776  -2.216
  234    H    VAL  31           H        VAL  31   0.884   8.968   0.931
  235    HA   VAL  31           HA       VAL  31  -1.437  10.509   0.317
  236    HB   VAL  31           HB       VAL  31   0.505  10.721   2.625
  237   HG11  VAL  31          HG11      VAL  31  -1.914  11.744   3.456
  238   HG12  VAL  31          HG12      VAL  31  -1.803  12.354   1.803
  239   HG13  VAL  31          HG13      VAL  31  -0.526  12.717   2.966
  240   HG21  VAL  31          HG21      VAL  31  -0.602   8.612   2.672
  241   HG22  VAL  31          HG22      VAL  31  -2.127   9.316   2.135
  242   HG23  VAL  31          HG23      VAL  31  -1.534   9.635   3.766
  243    H    ASP  32           H        ASP  32   1.995  11.395   0.383
  244    HA   ASP  32           HA       ASP  32   1.745  14.197   0.282
  245    HB2  ASP  32           HB3      ASP  32   3.911  12.878   0.324
  246    HB3  ASP  32           HB2      ASP  32   3.685  12.585  -1.401
  247    H    ASN  33           H        ASN  33   1.205  11.767  -2.185
  248    HA   ASN  33           HA       ASN  33   0.909  13.600  -4.395
  249    HB2  ASN  33           HB3      ASN  33  -0.034  10.773  -3.935
  250    HB3  ASN  33           HB2      ASN  33  -0.227  11.620  -5.463
  251   HD21  ASN  33          HD22      ASN  33   1.381   9.261  -5.294
  252   HD22  ASN  33          HD21      ASN  33   3.004   9.693  -5.536
  253    H    GLY  34           H        GLY  34  -1.303  12.224  -2.010
  254    HA2  GLY  34           HA3      GLY  34  -3.405  13.166  -1.354
  255    HA3  GLY  34           HA2      GLY  34  -3.330  14.240  -2.756
  256    H    VAL  35           H        VAL  35  -2.492  11.181  -3.731
  257    HA   VAL  35           HA       VAL  35  -4.795  10.793  -5.359
  258    HB   VAL  35           HB       VAL  35  -2.699   8.834  -4.373
  259   HG11  VAL  35          HG11      VAL  35  -5.187   8.413  -5.845
  260   HG12  VAL  35          HG12      VAL  35  -4.089   7.226  -5.141
  261   HG13  VAL  35          HG13      VAL  35  -3.776   7.872  -6.753
  262   HG21  VAL  35          HG21      VAL  35  -1.482   9.407  -6.237
  263   HG22  VAL  35          HG22      VAL  35  -2.352  10.928  -6.040
  264   HG23  VAL  35          HG23      VAL  35  -2.921   9.731  -7.204
  265    H    ILE  36           H        ILE  36  -4.027   9.875  -2.077
  266    HA   ILE  36           HA       ILE  36  -6.384   8.122  -1.863
  267    HB   ILE  36           HB       ILE  36  -4.459   9.072   0.281
  268   HG12  ILE  36          HG13      ILE  36  -4.501   6.442  -1.222
  269   HG13  ILE  36          HG12      ILE  36  -3.425   7.777  -1.616
  270   HG21  ILE  36          HG21      ILE  36  -5.756   7.926   1.715
  271   HG22  ILE  36          HG22      ILE  36  -5.665   6.495   0.689
  272   HG23  ILE  36          HG23      ILE  36  -6.929   7.694   0.418
  273   HD11  ILE  36          HD11      ILE  36  -3.075   5.782   0.387
  274   HD12  ILE  36          HD12      ILE  36  -3.287   7.334   1.200
  275   HD13  ILE  36          HD13      ILE  36  -2.007   7.133   0.003
  276    H    ASP  37           H        ASP  37  -8.310   8.773  -1.085
  277    HA   ASP  37           HA       ASP  37  -8.510  11.339   0.403
  278    HB2  ASP  37           HB3      ASP  37  -9.016  11.625  -2.094
  279    HB3  ASP  37           HB2      ASP  37 -10.429  10.604  -1.819
  280    H    ALA  38           H        ALA  38 -11.358  11.295   0.539
  281    HA   ALA  38           HA       ALA  38 -11.752   9.397   2.658
  282    HB1  ALA  38           HB1      ALA  38 -14.255  10.033   2.197
  283    HB2  ALA  38           HB2      ALA  38 -13.561  11.226   1.100
  284    HB3  ALA  38           HB3      ALA  38 -13.157  11.267   2.816
  285    H    LEU  39           H        LEU  39 -13.122   9.539  -0.635
  286    HA   LEU  39           HA       LEU  39 -14.226   6.874  -0.494
  287    HB2  LEU  39           HB3      LEU  39 -13.601   8.699  -2.822
  288    HB3  LEU  39           HB2      LEU  39 -14.384   7.135  -3.008
  289    HG   LEU  39           HG       LEU  39 -16.128   7.929  -1.362
  290   HD11  LEU  39          HD11      LEU  39 -15.180   9.735  -0.214
  291   HD12  LEU  39          HD12      LEU  39 -16.234  10.547  -1.371
  292   HD13  LEU  39          HD13      LEU  39 -14.503  10.440  -1.682
  293   HD21  LEU  39          HD21      LEU  39 -16.783   9.851  -3.256
  294   HD22  LEU  39          HD22      LEU  39 -17.155   8.131  -3.370
  295   HD23  LEU  39          HD23      LEU  39 -15.699   8.770  -4.133
  296    H    GLY  40           H        GLY  40 -11.208   8.331  -1.483
  297    HA2  GLY  40           HA3      GLY  40 -10.052   6.140  -2.858
  298    HA3  GLY  40           HA2      GLY  40  -9.141   7.383  -1.996
  299    H    LEU  41           H        LEU  41 -10.066   6.985   0.593
  300    HA   LEU  41           HA       LEU  41  -8.476   4.762   1.458
  301    HB2  LEU  41           HB3      LEU  41  -8.754   6.588   2.971
  302    HB3  LEU  41           HB2      LEU  41 -10.512   6.510   2.853
  303    HG   LEU  41           HG       LEU  41  -9.178   4.015   3.738
  304   HD11  LEU  41          HD11      LEU  41  -9.302   6.494   5.483
  305   HD12  LEU  41          HD12      LEU  41  -7.834   5.686   4.933
  306   HD13  LEU  41          HD13      LEU  41  -8.921   4.869   6.057
  307   HD21  LEU  41          HD21      LEU  41 -11.393   5.442   5.170
  308   HD22  LEU  41          HD22      LEU  41 -11.173   3.715   4.895
  309   HD23  LEU  41          HD23      LEU  41 -11.734   4.751   3.584
  310    H    LEU  42           H        LEU  42 -11.977   5.233   1.107
  311    HA   LEU  42           HA       LEU  42 -12.788   2.737   2.195
  312    HB2  LEU  42           HB3      LEU  42 -14.474   4.384   1.777
  313    HB3  LEU  42           HB2      LEU  42 -14.011   4.524   0.082
  314    HG   LEU  42           HG       LEU  42 -14.818   2.282  -0.380
  315   HD11  LEU  42          HD11      LEU  42 -14.427   0.920   1.439
  316   HD12  LEU  42          HD12      LEU  42 -16.144   1.241   1.679
  317   HD13  LEU  42          HD13      LEU  42 -14.942   2.144   2.601
  318   HD21  LEU  42          HD21      LEU  42 -16.456   4.418   0.598
  319   HD22  LEU  42          HD22      LEU  42 -17.193   2.885   1.063
  320   HD23  LEU  42          HD23      LEU  42 -16.842   3.215  -0.634
  321    H    LYS  43           H        LYS  43 -11.932   3.637  -1.142
  322    HA   LYS  43           HA       LYS  43 -12.439   1.072  -2.264
  323    HB2  LYS  43           HB3      LYS  43 -10.489   3.232  -3.084
  324    HB3  LYS  43           HB2      LYS  43 -10.856   1.819  -4.065
  325    HG2  LYS  43           HG3      LYS  43 -13.263   2.471  -4.041
  326    HG3  LYS  43           HG2      LYS  43 -12.824   3.938  -3.164
  327    HD2  LYS  43           HD3      LYS  43 -11.304   4.562  -5.044
  328    HD3  LYS  43           HD2      LYS  43 -11.870   3.147  -5.933
  329    HE2  LYS  43           HE3      LYS  43 -13.652   4.307  -6.658
  330    HE3  LYS  43           HE2      LYS  43 -14.162   4.572  -4.990
  331    HZ1  LYS  43           HZ1      LYS  43 -13.277   6.626  -4.946
  332    HZ2  LYS  43           HZ2      LYS  43 -13.471   6.538  -6.629
  333    HZ3  LYS  43           HZ3      LYS  43 -11.957   6.212  -5.932
  334    H    VAL  44           H        VAL  44  -9.635   2.402  -0.585
  335    HA   VAL  44           HA       VAL  44  -7.754   0.376  -1.230
  336    HB   VAL  44           HB       VAL  44  -8.043   2.112   1.223
  337   HG11  VAL  44          HG11      VAL  44  -5.615   1.463   1.590
  338   HG12  VAL  44          HG12      VAL  44  -5.864   0.170   0.417
  339   HG13  VAL  44          HG13      VAL  44  -6.786   0.187   1.921
  340   HG21  VAL  44          HG21      VAL  44  -5.900   2.279  -0.878
  341   HG22  VAL  44          HG22      VAL  44  -6.533   3.551   0.167
  342   HG23  VAL  44          HG23      VAL  44  -7.488   2.976  -1.200
  343    H    ILE  45           H        ILE  45  -9.941   0.613   1.583
  344    HA   ILE  45           HA       ILE  45  -9.203  -1.945   2.657
  345    HB   ILE  45           HB       ILE  45 -11.621  -0.177   3.061
  346   HG12  ILE  45          HG13      ILE  45 -10.411  -0.110   5.399
  347   HG13  ILE  45          HG12      ILE  45  -9.003  -0.635   4.480
  348   HG21  ILE  45          HG21      ILE  45 -10.870  -2.820   4.295
  349   HG22  ILE  45          HG22      ILE  45 -12.406  -2.346   3.573
  350   HG23  ILE  45          HG23      ILE  45 -11.916  -1.670   5.126
  351   HD11  ILE  45          HD11      ILE  45  -9.239   1.875   4.730
  352   HD12  ILE  45          HD12      ILE  45 -10.673   1.772   3.711
  353   HD13  ILE  45          HD13      ILE  45  -9.099   1.304   3.069
  354    H    ALA  46           H        ALA  46 -11.736  -0.950   0.375
  355    HA   ALA  46           HA       ALA  46 -13.235  -3.382   0.484
  356    HB1  ALA  46           HB1      ALA  46 -14.536  -2.386  -1.076
  357    HB2  ALA  46           HB2      ALA  46 -13.166  -2.034  -2.129
  358    HB3  ALA  46           HB3      ALA  46 -13.531  -0.969  -0.773
  359    H    TRP  47           H        TRP  47 -10.713  -2.383  -1.887
  360    HA   TRP  47           HA       TRP  47 -10.797  -5.040  -3.119
  361    HB2  TRP  47           HB3      TRP  47  -9.879  -3.876  -4.814
  362    HB3  TRP  47           HB2      TRP  47  -9.657  -2.475  -3.763
  363    HD1  TRP  47           HD1      TRP  47  -7.907  -5.833  -4.542
  364    HE1  TRP  47           HE1      TRP  47  -5.372  -5.519  -4.171
  365    HE3  TRP  47           HE3      TRP  47  -7.868  -1.026  -2.908
  366    HZ2  TRP  47           HZ2      TRP  47  -3.568  -3.473  -3.287
  367    HZ3  TRP  47           HZ3      TRP  47  -5.741   0.099  -2.302
  368    HH2  TRP  47           HH2      TRP  47  -3.588  -1.120  -2.495
  369    H    LEU  48           H        LEU  48  -8.541  -3.266  -1.021
  370    HA   LEU  48           HA       LEU  48  -6.508  -5.230  -0.908
  371    HB2  LEU  48           HB3      LEU  48  -6.361  -2.893   0.000
  372    HB3  LEU  48           HB2      LEU  48  -7.392  -3.391   1.335
  373    HG   LEU  48           HG       LEU  48  -5.643  -5.255   1.721
  374   HD11  LEU  48          HD11      LEU  48  -4.548  -4.121  -0.588
  375   HD12  LEU  48          HD12      LEU  48  -3.753  -5.265   0.489
  376   HD13  LEU  48          HD13      LEU  48  -3.523  -3.532   0.719
  377   HD21  LEU  48          HD21      LEU  48  -5.645  -2.402   2.421
  378   HD22  LEU  48          HD22      LEU  48  -4.069  -3.169   2.611
  379   HD23  LEU  48          HD23      LEU  48  -5.471  -3.813   3.465
  380    H    GLU  49           H        GLU  49  -9.426  -4.858   1.120
  381    HA   GLU  49           HA       GLU  49  -8.774  -7.140   2.775
  382    HB2  GLU  49           HB3      GLU  49 -10.914  -6.821   3.761
  383    HB3  GLU  49           HB2      GLU  49 -10.342  -5.205   3.366
  384    HG2  GLU  49           HG3      GLU  49 -12.479  -5.110   2.481
  385    HG3  GLU  49           HG2      GLU  49 -11.580  -5.695   1.083
  386    H    ASP  50           H        ASP  50 -10.688  -6.663  -0.159
  387    HA   ASP  50           HA       ASP  50 -11.980  -9.193  -0.216
  388    HB2  ASP  50           HB3      ASP  50 -12.496  -7.239  -1.691
  389    HB3  ASP  50           HB2      ASP  50 -11.020  -7.593  -2.587
  390    H    ARG  51           H        ARG  51  -8.785  -8.229  -1.438
  391    HA   ARG  51           HA       ARG  51  -8.210 -10.632  -2.831
  392    HB2  ARG  51           HB3      ARG  51  -6.379  -8.639  -1.509
  393    HB3  ARG  51           HB2      ARG  51  -5.822  -9.935  -2.562
  394    HG2  ARG  51           HG3      ARG  51  -7.358  -9.062  -4.344
  395    HG3  ARG  51           HG2      ARG  51  -7.713  -7.693  -3.293
  396    HD2  ARG  51           HD3      ARG  51  -4.992  -8.458  -4.386
  397    HD3  ARG  51           HD2      ARG  51  -5.957  -7.062  -4.867
  398    HE   ARG  51           HE       ARG  51  -5.668  -6.661  -2.175
  399   HH11  ARG  51          HH22      ARG  51  -3.513  -7.485  -4.738
  400   HH12  ARG  51          HH21      ARG  51  -2.147  -6.698  -4.020
  401   HH21  ARG  51          HH11      ARG  51  -3.895  -5.629  -1.225
  402   HH22  ARG  51          HH12      ARG  51  -2.363  -5.647  -2.032
  403    H    PHE  52           H        PHE  52  -7.709  -9.836   0.612
  404    HA   PHE  52           HA       PHE  52  -6.446 -12.487   0.969
  405    HB2  PHE  52           HB3      PHE  52  -6.796 -10.114   2.816
  406    HB3  PHE  52           HB2      PHE  52  -6.081 -11.646   3.317
  407    HD1  PHE  52           HD2      PHE  52  -5.709  -8.734   1.071
  408    HD2  PHE  52           HD1      PHE  52  -3.893 -12.333   2.553
  409    HE1  PHE  52           HE2      PHE  52  -3.549  -8.064   0.052
  410    HE2  PHE  52           HE1      PHE  52  -1.735 -11.666   1.531
  411    HZ   PHE  52           HZ       PHE  52  -1.562  -9.530   0.280
  412    H    GLY  53           H        GLY  53  -9.545 -11.217   1.029
  413    HA2  GLY  53           HA3      GLY  53 -11.564 -12.215   1.691
  414    HA3  GLY  53           HA2      GLY  53 -10.633 -13.646   2.140
  415    H    ILE  54           H        ILE  54  -9.864 -10.476   3.397
  416    HA   ILE  54           HA       ILE  54 -10.672 -11.466   6.088
  417    HB   ILE  54           HB       ILE  54  -9.033  -9.864   6.970
  418   HG12  ILE  54          HG13      ILE  54  -8.587  -9.202   4.041
  419   HG13  ILE  54          HG12      ILE  54  -9.294  -8.126   5.247
  420   HG21  ILE  54          HG21      ILE  54  -8.289 -12.136   6.288
  421   HG22  ILE  54          HG22      ILE  54  -7.010 -10.938   6.091
  422   HG23  ILE  54          HG23      ILE  54  -7.906 -11.510   4.684
  423   HD11  ILE  54          HD11      ILE  54  -7.182  -8.255   6.557
  424   HD12  ILE  54          HD12      ILE  54  -6.930  -7.580   4.946
  425   HD13  ILE  54          HD13      ILE  54  -6.480  -9.252   5.282
  426    H    ALA  55           H        ALA  55 -11.778 -10.000   7.513
  427    HA   ALA  55           HA       ALA  55 -13.322  -7.917   6.038
  428    HB1  ALA  55           HB1      ALA  55 -14.099  -9.973   7.821
  429    HB2  ALA  55           HB2      ALA  55 -15.121  -8.711   7.133
  430    HB3  ALA  55           HB3      ALA  55 -14.327  -8.454   8.687
  431    H    ALA  56           H        ALA  56 -13.676  -5.857   7.086
  432    HA   ALA  56           HA       ALA  56 -11.358  -4.723   8.282
  433    HB1  ALA  56           HB1      ALA  56 -13.901  -3.807   7.398
  434    HB2  ALA  56           HB2      ALA  56 -12.497  -2.833   7.832
  435    HB3  ALA  56           HB3      ALA  56 -13.698  -3.243   9.056
  436    H    ASP  57           H        ASP  57 -13.983  -6.514   9.639
  437    HA   ASP  57           HA       ASP  57 -14.432  -7.216  11.808
  438    HB2  ASP  57           HB3      ASP  57 -11.973  -7.746  11.730
  439    HB3  ASP  57           HB2      ASP  57 -11.678  -6.168  12.450
  440    H    ASP  58           H        ASP  58 -15.223  -4.590  10.968
  441    HA   ASP  58           HA       ASP  58 -16.029  -2.591  11.883
  442    HB2  ASP  58           HB3      ASP  58 -15.930  -4.385  14.300
  443    HB3  ASP  58           HB2      ASP  58 -16.696  -2.797  14.307
  444    H    VAL  59           H        VAL  59 -13.307  -2.433  11.480
  445    HA   VAL  59           HA       VAL  59 -12.413  -0.920  13.904
  446    HB   VAL  59           HB       VAL  59 -11.170  -3.109  13.541
  447   HG11  VAL  59          HG11      VAL  59 -10.027  -3.529  11.604
  448   HG12  VAL  59          HG12      VAL  59  -9.628  -1.830  11.352
  449   HG13  VAL  59          HG13      VAL  59 -11.225  -2.433  10.914
  450   HG21  VAL  59          HG21      VAL  59  -9.722  -1.888  14.779
  451   HG22  VAL  59          HG22      VAL  59 -10.109  -0.409  13.901
  452   HG23  VAL  59          HG23      VAL  59  -8.897  -1.521  13.265
  453    H    GLU  60           H        GLU  60 -11.454   1.084  13.461
  454    HA   GLU  60           HA       GLU  60 -11.743   1.999  10.647
  455    HB2  GLU  60           HB3      GLU  60 -12.854   3.293  12.483
  456    HB3  GLU  60           HB2      GLU  60 -11.263   3.643  13.146
  457    HG2  GLU  60           HG3      GLU  60 -10.632   4.684  10.981
  458    HG3  GLU  60           HG2      GLU  60 -12.274   4.418  10.408
  459    H    LEU  61           H        LEU  61  -9.970   2.529   9.438
  460    HA   LEU  61           HA       LEU  61  -7.314   2.105  10.651
  461    HB2  LEU  61           HB3      LEU  61  -8.080   2.638   7.767
  462    HB3  LEU  61           HB2      LEU  61  -6.517   2.084   8.350
  463    HG   LEU  61           HG       LEU  61  -9.128   0.583   8.560
  464   HD11  LEU  61          HD11      LEU  61  -8.207   0.499   6.315
  465   HD12  LEU  61          HD12      LEU  61  -7.908  -1.052   7.099
  466   HD13  LEU  61          HD13      LEU  61  -6.604   0.125   6.949
  467   HD21  LEU  61          HD21      LEU  61  -7.371  -1.243   9.302
  468   HD22  LEU  61          HD22      LEU  61  -7.993  -0.092  10.483
  469   HD23  LEU  61          HD23      LEU  61  -6.407   0.162   9.755
  470    H    SER  62           H        SER  62  -5.722   3.751  10.699
  471    HA   SER  62           HA       SER  62  -6.809   6.484  10.533
  472    HB2  SER  62           HB3      SER  62  -5.406   6.867  12.256
  473    HB3  SER  62           HB2      SER  62  -4.893   5.183  12.181
  474    HG   SER  62           HG       SER  62  -3.099   6.463  11.867
  475    HA   PRO  63           HA       PRO  63  -5.072   7.406   6.592
  476    HB2  PRO  63           HB2      PRO  63  -3.990   9.933   7.132
  477    HB3  PRO  63           HB3      PRO  63  -5.666   9.606   6.655
  478    HG2  PRO  63           HG3      PRO  63  -4.527  10.117   9.345
  479    HG3  PRO  63           HG2      PRO  63  -6.105  10.566   8.676
  480    HD2  PRO  63           HD3      PRO  63  -5.817   8.524  10.429
  481    HD3  PRO  63           HD2      PRO  63  -7.043   8.492   9.140
  482    H    GLU  64           H        GLU  64  -3.079   7.479   9.441
  483    HA   GLU  64           HA       GLU  64  -0.547   7.945   8.175
  484    HB2  GLU  64           HB3      GLU  64  -1.229   6.496  10.738
  485    HB3  GLU  64           HB2      GLU  64   0.386   6.993  10.266
  486    HG2  GLU  64           HG3      GLU  64  -0.399   9.343  10.170
  487    HG3  GLU  64           HG2      GLU  64  -1.974   8.810  10.748
  488    H    HIS  65           H        HIS  65  -2.531   5.099   8.685
  489    HA   HIS  65           HA       HIS  65  -0.509   3.168   8.065
  490    HB2  HIS  65           HB3      HIS  65  -2.493   2.331   9.075
  491    HB3  HIS  65           HB2      HIS  65  -3.522   3.132   7.885
  492    HD1  HIS  65           HD1      HIS  65  -4.602   1.068   6.854
  493    HD2  HIS  65           HD2      HIS  65  -0.435   0.867   6.873
  494    HE1  HIS  65           HE1      HIS  65  -3.973  -0.932   5.429
  495    HE2  HIS  65           HE2      HIS  65  -1.441  -1.056   5.431
  496    H    PHE  66           H        PHE  66  -2.316   5.388   6.191
  497    HA   PHE  66           HA       PHE  66  -1.764   3.958   3.666
  498    HB2  PHE  66           HB3      PHE  66  -3.151   6.620   4.076
  499    HB3  PHE  66           HB2      PHE  66  -3.180   5.615   2.633
  500    HD1  PHE  66           HD2      PHE  66  -4.012   5.445   6.289
  501    HD2  PHE  66           HD1      PHE  66  -4.928   4.111   2.310
  502    HE1  PHE  66           HE2      PHE  66  -5.991   4.230   7.155
  503    HE2  PHE  66           HE1      PHE  66  -6.908   2.896   3.179
  504    HZ   PHE  66           HZ       PHE  66  -7.434   2.964   5.602
  505    H    ARG  67           H        ARG  67   0.131   5.497   5.598
  506    HA   ARG  67           HA       ARG  67   1.185   7.813   4.517
  507    HB2  ARG  67           HB3      ARG  67   3.337   7.090   5.471
  508    HB3  ARG  67           HB2      ARG  67   2.010   6.716   6.566
  509    HG2  ARG  67           HG3      ARG  67   2.100   4.447   5.043
  510    HG3  ARG  67           HG2      ARG  67   3.802   4.895   5.088
  511    HD2  ARG  67           HD3      ARG  67   3.303   5.234   7.674
  512    HD3  ARG  67           HD2      ARG  67   1.985   4.118   7.335
  513    HE   ARG  67           HE       ARG  67   4.474   3.121   6.264
  514   HH11  ARG  67          HH22      ARG  67   2.608   3.599   9.124
  515   HH12  ARG  67          HH21      ARG  67   3.304   2.255   9.965
  516   HH21  ARG  67          HH11      ARG  67   5.393   1.356   7.350
  517   HH22  ARG  67          HH12      ARG  67   4.880   0.986   8.961
  518    H    SER  68           H        SER  68   1.689   4.491   3.325
  519    HA   SER  68           HA       SER  68   2.441   5.574   0.712
  520    HB2  SER  68           HB3      SER  68   4.585   5.698   1.918
  521    HB3  SER  68           HB2      SER  68   4.454   3.995   2.338
  522    HG   SER  68           HG       SER  68   4.443   3.551   0.077
  523    H    ILE  69           H        ILE  69   2.504   3.898  -0.932
  524    HA   ILE  69           HA       ILE  69   0.607   1.828  -0.608
  525    HB   ILE  69           HB       ILE  69   2.875   1.603  -2.572
  526   HG12  ILE  69          HG13      ILE  69   1.082   3.143  -3.904
  527   HG13  ILE  69          HG12      ILE  69   0.912   3.804  -2.280
  528   HG21  ILE  69          HG21      ILE  69   1.066  -0.100  -2.491
  529   HG22  ILE  69          HG22      ILE  69   1.084   0.784  -4.017
  530   HG23  ILE  69          HG23      ILE  69  -0.115   1.176  -2.784
  531   HD11  ILE  69          HD11      ILE  69   3.568   3.744  -2.344
  532   HD12  ILE  69          HD12      ILE  69   2.679   5.091  -3.050
  533   HD13  ILE  69          HD13      ILE  69   3.297   3.807  -4.084
  534    H    ARG  70           H        ARG  70   4.149   1.775  -0.384
  535    HA   ARG  70           HA       ARG  70   4.492  -1.018  -0.043
  536    HB2  ARG  70           HB3      ARG  70   6.613  -0.393   1.113
  537    HB3  ARG  70           HB2      ARG  70   6.387   0.496  -0.396
  538    HG2  ARG  70           HG3      ARG  70   5.239   2.285   1.088
  539    HG3  ARG  70           HG2      ARG  70   6.038   1.475   2.432
  540    HD2  ARG  70           HD3      ARG  70   7.502   2.455  -0.032
  541    HD3  ARG  70           HD2      ARG  70   7.341   3.407   1.444
  542    HE   ARG  70           HE       ARG  70   8.410   0.759   1.972
  543   HH11  ARG  70          HH22      ARG  70   9.092   3.949   0.858
  544   HH12  ARG  70          HH21      ARG  70  10.761   3.896   1.315
  545   HH21  ARG  70          HH11      ARG  70  10.587   0.671   2.576
  546   HH22  ARG  70          HH12      ARG  70  11.609   2.040   2.288
  547    H    SER  71           H        SER  71   3.811   1.539   2.326
  548    HA   SER  71           HA       SER  71   3.928  -0.128   4.648
  549    HB2  SER  71           HB3      SER  71   3.873   2.377   4.690
  550    HB3  SER  71           HB2      SER  71   2.180   2.313   4.208
  551    HG   SER  71           HG       SER  71   1.689   1.863   6.195
  552    H    ILE  72           H        ILE  72   1.260   0.689   2.433
  553    HA   ILE  72           HA       ILE  72  -0.822  -0.600   3.862
  554    HB   ILE  72           HB       ILE  72  -0.456  -0.284   0.869
  555   HG12  ILE  72          HG13      ILE  72  -1.962   1.440   2.864
  556   HG13  ILE  72          HG12      ILE  72  -0.371   1.834   2.212
  557   HG21  ILE  72          HG21      ILE  72  -3.155  -0.189   1.499
  558   HG22  ILE  72          HG22      ILE  72  -2.538  -1.475   2.533
  559   HG23  ILE  72          HG23      ILE  72  -2.311  -1.564   0.787
  560   HD11  ILE  72          HD11      ILE  72  -1.717   2.988   0.719
  561   HD12  ILE  72          HD12      ILE  72  -3.031   1.818   0.838
  562   HD13  ILE  72          HD13      ILE  72  -1.593   1.438  -0.111
  563    H    ASP  73           H        ASP  73   1.281  -1.846   1.255
  564    HA   ASP  73           HA       ASP  73   0.240  -4.493   1.227
  565    HB2  ASP  73           HB3      ASP  73   1.922  -3.365  -0.394
  566    HB3  ASP  73           HB2      ASP  73   3.153  -3.846   0.771
  567    H    ALA  74           H        ALA  74   2.803  -2.996   3.155
  568    HA   ALA  74           HA       ALA  74   3.641  -5.388   4.494
  569    HB1  ALA  74           HB1      ALA  74   4.501  -2.770   4.405
  570    HB2  ALA  74           HB2      ALA  74   5.133  -4.007   5.491
  571    HB3  ALA  74           HB3      ALA  74   3.870  -2.907   6.047
  572    H    PHE  75           H        PHE  75   1.165  -2.957   5.248
  573    HA   PHE  75           HA       PHE  75   0.573  -3.845   7.885
  574    HB2  PHE  75           HB3      PHE  75  -0.290  -1.735   6.851
  575    HB3  PHE  75           HB2      PHE  75  -1.387  -2.717   5.884
  576    HD1  PHE  75           HD1      PHE  75  -0.523  -1.668   9.326
  577    HD2  PHE  75           HD2      PHE  75  -3.334  -3.761   6.844
  578    HE1  PHE  75           HE1      PHE  75  -2.128  -1.750  11.214
  579    HE2  PHE  75           HE2      PHE  75  -4.940  -3.843   8.732
  580    HZ   PHE  75           HZ       PHE  75  -4.337  -2.837  10.917
  581    H    VAL  76           H        VAL  76  -0.893  -4.816   4.765
  582    HA   VAL  76           HA       VAL  76  -2.716  -6.713   5.875
  583    HB   VAL  76           HB       VAL  76  -1.344  -6.684   3.172
  584   HG11  VAL  76          HG11      VAL  76  -2.309  -8.718   3.001
  585   HG12  VAL  76          HG12      VAL  76  -3.834  -7.837   2.910
  586   HG13  VAL  76          HG13      VAL  76  -3.275  -8.474   4.455
  587   HG21  VAL  76          HG21      VAL  76  -3.120  -4.845   4.286
  588   HG22  VAL  76          HG22      VAL  76  -4.157  -5.907   3.332
  589   HG23  VAL  76          HG23      VAL  76  -2.807  -5.070   2.564
  590    H    VAL  77           H        VAL  77   0.590  -7.087   4.586
  591    HA   VAL  77           HA       VAL  77   0.769  -9.903   5.095
  592    HB   VAL  77           HB       VAL  77   2.881  -7.749   4.805
  593   HG11  VAL  77          HG11      VAL  77   3.984  -9.487   5.949
  594   HG12  VAL  77          HG12      VAL  77   4.309  -9.835   4.250
  595   HG13  VAL  77          HG13      VAL  77   3.065 -10.738   5.114
  596   HG21  VAL  77          HG21      VAL  77   2.876  -9.608   2.671
  597   HG22  VAL  77          HG22      VAL  77   2.362  -7.922   2.619
  598   HG23  VAL  77          HG23      VAL  77   1.187  -9.191   2.963
  599    H    GLY  78           H        GLY  78   1.648  -7.022   6.962
  600    HA2  GLY  78           HA3      GLY  78   2.971  -8.312   9.112
  601    HA3  GLY  78           HA2      GLY  78   2.141  -6.764   9.235
  602    H    ALA  79           H        ALA  79  -0.480  -7.694   8.545
  603    HA   ALA  79           HA       ALA  79  -1.351  -8.606  11.135
  604    HB1  ALA  79           HB1      ALA  79  -3.244  -8.995   8.920
  605    HB2  ALA  79           HB2      ALA  79  -2.561  -7.371   8.995
  606    HB3  ALA  79           HB3      ALA  79  -3.413  -8.033  10.390
  607    H    THR  80           H        THR  80  -1.009 -10.248   7.995
  608    HA   THR  80           HA       THR  80  -2.001 -12.772   9.100
  609    HB   THR  80           HB       THR  80  -1.551 -13.683   6.893
  610    HG1  THR  80           HG1      THR  80   0.461 -12.642   6.592
  611   HG21  THR  80          HG21      THR  80  -2.791 -12.015   5.486
  612   HG22  THR  80          HG22      THR  80  -2.633 -10.854   6.804
  613   HG23  THR  80          HG23      THR  80  -3.562 -12.335   7.039
  614    H    THR  81           H        THR  81   1.083 -11.245   8.479
  615    HA   THR  81           HA       THR  81   2.398 -13.545   9.822
  616    HB   THR  81           HB       THR  81   4.362 -12.672   8.184
  617    HG1  THR  81           HG1      THR  81   3.493 -12.163   6.215
  618   HG21  THR  81          HG21      THR  81   2.201 -14.661   7.450
  619   HG22  THR  81          HG22      THR  81   3.602 -15.002   8.466
  620   HG23  THR  81          HG23      THR  81   3.824 -14.609   6.761
  621    HA   PRO  82           HA       PRO  82   4.149 -10.474  12.448
  622    HB2  PRO  82           HB2      PRO  82   6.714 -11.476  12.804
  623    HB3  PRO  82           HB3      PRO  82   5.280 -12.036  13.680
  624    HG2  PRO  82           HG3      PRO  82   6.666 -13.243  11.350
  625    HG3  PRO  82           HG2      PRO  82   5.863 -14.025  12.722
  626    HD2  PRO  82           HD3      PRO  82   4.718 -13.862  10.250
  627    HD3  PRO  82           HD2      PRO  82   3.765 -13.885  11.751
  628    HA   PRO  83           HA       PRO  83   6.237  -7.778   9.531
  629    HB2  PRO  83           HB2      PRO  83   7.026  -5.817  11.321
  630    HB3  PRO  83           HB3      PRO  83   5.440  -5.913  10.544
  631    HG2  PRO  83           HG3      PRO  83   6.249  -6.638  13.289
  632    HG3  PRO  83           HG2      PRO  83   4.695  -6.044  12.685
  633    HD2  PRO  83           HD3      PRO  83   5.184  -8.673  13.365
  634    HD3  PRO  83           HD2      PRO  83   3.921  -8.158  12.227
  635    H    VAL  84           H        VAL  84   8.342  -7.319   8.863
  636    HA   VAL  84           HA       VAL  84  10.490  -8.528  10.545
  637    HB   VAL  84           HB       VAL  84  10.541  -7.812   7.598
  638   HG11  VAL  84          HG11      VAL  84  12.768  -7.862   8.534
  639   HG12  VAL  84          HG12      VAL  84  12.530  -9.365   7.644
  640   HG13  VAL  84          HG13      VAL  84  12.422  -9.357   9.404
  641   HG21  VAL  84          HG21      VAL  84   8.957  -9.579   7.838
  642   HG22  VAL  84          HG22      VAL  84   9.928 -10.382   9.072
  643   HG23  VAL  84          HG23      VAL  84  10.468 -10.372   7.393
  644    H    GLU  85           H        GLU  85  11.928  -7.179  11.499
  645    HA   GLU  85           HA       GLU  85  12.802  -5.091  12.201
  646    HB2  GLU  85           HB3      GLU  85  13.363  -5.090   9.220
  647    HB3  GLU  85           HB2      GLU  85  14.182  -4.074  10.406
  648    HG2  GLU  85           HG3      GLU  85  14.940  -6.119  11.601
  649    HG3  GLU  85           HG2      GLU  85  14.181  -7.105  10.352
  650    H    ALA  86           H        ALA  86   9.912  -5.051  11.169
  651    HA   ALA  86           HA       ALA  86   8.287  -3.438  10.631
  652    HB1  ALA  86           HB1      ALA  86   9.269  -2.581  12.810
  653    HB2  ALA  86           HB2      ALA  86   8.529  -1.346  11.792
  654    HB3  ALA  86           HB3      ALA  86  10.284  -1.510  11.844
  655    H    LYS  87           H        LYS  87   8.048  -1.162   9.498
  656    HA   LYS  87           HA       LYS  87   9.196  -1.349   6.903
  657    HB2  LYS  87           HB3      LYS  87   7.114  -0.082   7.432
  658    HB3  LYS  87           HB2      LYS  87   8.094   1.136   8.252
  659    HG2  LYS  87           HG3      LYS  87   9.339   1.529   6.138
  660    HG3  LYS  87           HG2      LYS  87   8.296   0.361   5.326
  661    HD2  LYS  87           HD3      LYS  87   6.320   1.748   5.923
  662    HD3  LYS  87           HD2      LYS  87   7.399   2.938   6.651
  663    HE2  LYS  87           HE3      LYS  87   8.108   2.146   3.895
  664    HE3  LYS  87           HE2      LYS  87   6.579   3.013   4.045
  665    HZ1  LYS  87           HZ1      LYS  87   8.171   4.441   5.653
  666    HZ2  LYS  87           HZ2      LYS  87   7.893   4.809   4.022
  667    HZ3  LYS  87           HZ3      LYS  87   9.285   3.944   4.469
  668    H    LEU  88           H        LEU  88  10.186   0.506   9.759
  669    HA   LEU  88           HA       LEU  88  12.484   1.623   8.256
  670    HB2  LEU  88           HB3      LEU  88  11.685   2.052  11.151
  671    HB3  LEU  88           HB2      LEU  88  12.871   2.985  10.238
  672    HG   LEU  88           HG       LEU  88   9.898   2.813   9.670
  673   HD11  LEU  88          HD11      LEU  88   9.796   4.547  11.106
  674   HD12  LEU  88          HD12      LEU  88  10.773   5.471   9.966
  675   HD13  LEU  88          HD13      LEU  88  11.551   4.574  11.271
  676   HD21  LEU  88          HD21      LEU  88  10.834   3.038   7.537
  677   HD22  LEU  88          HD22      LEU  88  12.226   3.940   8.136
  678   HD23  LEU  88          HD23      LEU  88  10.649   4.723   8.025
  679    H    GLN  89           H        GLN  89  14.617   1.030   8.689
  680    HA   GLN  89           HA       GLN  89  15.157  -1.591   9.614
  681    HB2  GLN  89           HB3      GLN  89  16.997   0.819   9.488
  682    HB3  GLN  89           HB2      GLN  89  17.537  -0.846   9.711
  683    HG2  GLN  89           HG3      GLN  89  16.545  -1.480   7.557
  684    HG3  GLN  89           HG2      GLN  89  15.947   0.165   7.335
  685   HE21  GLN  89          HE22      GLN  89  17.748  -0.981   5.443
  686   HE22  GLN  89          HE21      GLN  89  19.235  -0.169   5.549
  Start of MODEL   18
    1    H1   SER  -1           H1       SER  -1  13.432   0.126  -3.946
    2    H2   SER  -1           H2       SER  -1  11.758   0.081  -4.238
    3    H3   SER  -1           H3       SER  -1  12.851  -0.296  -5.484
    4    HA   SER  -1           HA       SER  -1  13.249  -2.377  -4.734
    5    HB2  SER  -1           HB3      SER  -1  13.367  -2.975  -2.417
    6    HB3  SER  -1           HB2      SER  -1  14.113  -1.386  -2.550
    7    HG   SER  -1           HG       SER  -1  12.669  -1.307  -0.867
    8    H    GLU   0           H        GLU   0  11.778  -4.106  -4.713
    9    HA   GLU   0           HA       GLU   0   8.910  -3.310  -4.447
   10    HB2  GLU   0           HB3      GLU   0  10.162  -5.605  -5.988
   11    HB3  GLU   0           HB2      GLU   0   8.439  -5.231  -5.931
   12    HG2  GLU   0           HG3      GLU   0   8.920  -2.988  -6.893
   13    HG3  GLU   0           HG2      GLU   0  10.623  -3.429  -7.017
   14    H    MET   1           H        MET   1   7.466  -4.858  -3.412
   15    HA   MET   1           HA       MET   1   8.868  -6.485  -1.359
   16    HB2  MET   1           HB3      MET   1   5.997  -5.490  -1.506
   17    HB3  MET   1           HB2      MET   1   6.702  -6.391  -0.159
   18    HG2  MET   1           HG3      MET   1   8.442  -4.559   0.024
   19    HG3  MET   1           HG2      MET   1   7.494  -3.640  -1.141
   20    HE1  MET   1           HE1      MET   1   5.930  -5.737   2.341
   21    HE2  MET   1           HE2      MET   1   7.065  -4.618   3.109
   22    HE3  MET   1           HE3      MET   1   7.611  -5.683   1.816
   23    H    GLN   2           H        GLN   2   5.772  -7.464  -1.410
   24    HA   GLN   2           HA       GLN   2   6.406  -9.812  -3.145
   25    HB2  GLN   2           HB3      GLN   2   4.313  -9.521  -0.963
   26    HB3  GLN   2           HB2      GLN   2   4.667 -10.996  -1.864
   27    HG2  GLN   2           HG3      GLN   2   6.625  -9.505  -0.094
   28    HG3  GLN   2           HG2      GLN   2   5.803 -11.006   0.329
   29   HE21  GLN   2          HE22      GLN   2   8.771 -10.076  -0.528
   30   HE22  GLN   2          HE21      GLN   2   9.245 -11.361  -1.531
   31    H    HIS   3           H        HIS   3   3.412  -8.200  -2.083
   32    HA   HIS   3           HA       HIS   3   2.427  -8.355  -4.892
   33    HB2  HIS   3           HB3      HIS   3   0.906  -7.832  -2.315
   34    HB3  HIS   3           HB2      HIS   3   0.191  -8.021  -3.916
   35    HD1  HIS   3           HD1      HIS   3   0.817 -10.440  -5.106
   36    HD2  HIS   3           HD2      HIS   3   1.138 -10.227  -0.953
   37    HE1  HIS   3           HE1      HIS   3   0.824 -12.830  -4.264
   38    HE2  HIS   3           HE2      HIS   3   1.021 -12.712  -1.738
   39    H    ALA   4           H        ALA   4   4.266  -6.338  -3.403
   40    HA   ALA   4           HA       ALA   4   2.992  -3.859  -3.075
   41    HB1  ALA   4           HB1      ALA   4   5.733  -4.775  -3.662
   42    HB2  ALA   4           HB2      ALA   4   5.169  -3.595  -2.478
   43    HB3  ALA   4           HB3      ALA   4   5.386  -3.121  -4.163
   44    H    SER   5           H        SER   5   4.269  -5.332  -6.059
   45    HA   SER   5           HA       SER   5   3.746  -3.116  -7.776
   46    HB2  SER   5           HB3      SER   5   3.679  -6.061  -8.485
   47    HB3  SER   5           HB2      SER   5   3.904  -4.722  -9.608
   48    HG   SER   5           HG       SER   5   5.596  -5.005  -7.379
   49    H    VAL   6           H        VAL   6   1.700  -5.818  -6.737
   50    HA   VAL   6           HA       VAL   6  -0.484  -5.279  -8.503
   51    HB   VAL   6           HB       VAL   6  -0.379  -6.590  -5.787
   52   HG11  VAL   6          HG11      VAL   6  -2.629  -5.888  -5.976
   53   HG12  VAL   6          HG12      VAL   6  -2.644  -7.538  -6.598
   54   HG13  VAL   6          HG13      VAL   6  -2.659  -6.173  -7.716
   55   HG21  VAL   6          HG21      VAL   6  -0.781  -8.633  -7.259
   56   HG22  VAL   6          HG22      VAL   6   0.800  -7.871  -7.437
   57   HG23  VAL   6          HG23      VAL   6  -0.457  -7.589  -8.643
   58    H    ILE   7           H        ILE   7   0.169  -4.208  -5.177
   59    HA   ILE   7           HA       ILE   7  -2.222  -2.714  -4.797
   60    HB   ILE   7           HB       ILE   7   0.554  -2.139  -3.719
   61   HG12  ILE   7          HG13      ILE   7  -1.700  -3.722  -2.453
   62   HG13  ILE   7          HG12      ILE   7  -0.368  -4.471  -3.334
   63   HG21  ILE   7          HG21      ILE   7  -2.194  -1.384  -2.674
   64   HG22  ILE   7          HG22      ILE   7  -1.057  -0.275  -3.442
   65   HG23  ILE   7          HG23      ILE   7  -0.656  -1.016  -1.894
   66   HD11  ILE   7          HD11      ILE   7  -0.416  -3.500  -0.615
   67   HD12  ILE   7          HD12      ILE   7   0.824  -2.649  -1.535
   68   HD13  ILE   7          HD13      ILE   7   0.846  -4.410  -1.444
   69    H    ALA   8           H        ALA   8   0.918  -1.785  -6.172
   70    HA   ALA   8           HA       ALA   8   0.346   0.972  -6.562
   71    HB1  ALA   8           HB1      ALA   8   2.535  -0.534  -6.939
   72    HB2  ALA   8           HB2      ALA   8   2.326   1.029  -7.731
   73    HB3  ALA   8           HB3      ALA   8   1.971  -0.459  -8.609
   74    H    GLN   9           H        GLN   9  -0.367  -1.887  -8.527
   75    HA   GLN   9           HA       GLN   9  -1.313  -0.478 -10.836
   76    HB2  GLN   9           HB3      GLN   9  -0.742  -2.922 -10.762
   77    HB3  GLN   9           HB2      GLN   9  -2.224  -3.191  -9.843
   78    HG2  GLN   9           HG3      GLN   9  -3.527  -2.173 -11.709
   79    HG3  GLN   9           HG2      GLN   9  -2.034  -2.024 -12.635
   80   HE21  GLN   9          HE22      GLN   9  -1.489  -4.772 -10.948
   81   HE22  GLN   9          HE21      GLN   9  -2.141  -5.923 -12.012
   82    H    PHE  10           H        PHE  10  -2.964  -1.622  -7.901
   83    HA   PHE  10           HA       PHE  10  -5.615  -1.001  -8.745
   84    HB2  PHE  10           HB3      PHE  10  -4.280  -1.334  -6.085
   85    HB3  PHE  10           HB2      PHE  10  -5.915  -0.677  -6.140
   86    HD1  PHE  10           HD1      PHE  10  -7.734  -1.996  -7.307
   87    HD2  PHE  10           HD2      PHE  10  -3.874  -3.656  -6.422
   88    HE1  PHE  10           HE1      PHE  10  -8.652  -4.282  -7.587
   89    HE2  PHE  10           HE2      PHE  10  -4.791  -5.942  -6.705
   90    HZ   PHE  10           HZ       PHE  10  -7.181  -6.255  -7.283
   91    H    VAL  11           H        VAL  11  -3.334   0.984  -6.823
   92    HA   VAL  11           HA       VAL  11  -5.091   3.236  -6.663
   93    HB   VAL  11           HB       VAL  11  -2.991   4.523  -6.171
   94   HG11  VAL  11          HG11      VAL  11  -3.305   3.773  -4.074
   95   HG12  VAL  11          HG12      VAL  11  -2.451   2.280  -4.463
   96   HG13  VAL  11          HG13      VAL  11  -4.191   2.393  -4.722
   97   HG21  VAL  11          HG21      VAL  11  -1.733   1.832  -6.760
   98   HG22  VAL  11          HG22      VAL  11  -0.894   3.176  -5.989
   99   HG23  VAL  11          HG23      VAL  11  -1.461   3.328  -7.652
  100    H    VAL  12           H        VAL  12  -2.589   2.329  -9.024
  101    HA   VAL  12           HA       VAL  12  -2.726   4.740 -10.561
  102    HB   VAL  12           HB       VAL  12  -1.999   1.917 -11.363
  103   HG11  VAL  12          HG11      VAL  12  -2.639   3.167 -13.355
  104   HG12  VAL  12          HG12      VAL  12  -0.882   3.028 -13.307
  105   HG13  VAL  12          HG13      VAL  12  -1.658   4.540 -12.841
  106   HG21  VAL  12          HG21      VAL  12  -0.694   3.810  -9.751
  107   HG22  VAL  12          HG22      VAL  12   0.116   3.902 -11.314
  108   HG23  VAL  12          HG23      VAL  12   0.021   2.363 -10.461
  109    H    GLU  13           H        GLU  13  -4.435   1.617 -10.899
  110    HA   GLU  13           HA       GLU  13  -6.000   2.470 -13.166
  111    HB2  GLU  13           HB3      GLU  13  -6.391   0.247 -11.160
  112    HB3  GLU  13           HB2      GLU  13  -7.391   0.465 -12.588
  113    HG2  GLU  13           HG3      GLU  13  -5.369   0.313 -14.010
  114    HG3  GLU  13           HG2      GLU  13  -4.403   0.020 -12.568
  115    H    GLU  14           H        GLU  14  -6.381   2.717  -9.702
  116    HA   GLU  14           HA       GLU  14  -9.183   3.268  -9.641
  117    HB2  GLU  14           HB3      GLU  14  -7.777   2.705  -7.647
  118    HB3  GLU  14           HB2      GLU  14  -7.065   4.317  -7.746
  119    HG2  GLU  14           HG3      GLU  14  -9.352   5.298  -7.539
  120    HG3  GLU  14           HG2      GLU  14  -9.999   3.671  -7.326
  121    H    PHE  15           H        PHE  15  -6.403   5.338 -10.331
  122    HA   PHE  15           HA       PHE  15  -8.346   7.549 -10.862
  123    HB2  PHE  15           HB3      PHE  15  -7.107   7.935  -8.734
  124    HB3  PHE  15           HB2      PHE  15  -5.596   7.889  -9.642
  125    HD1  PHE  15           HD2      PHE  15  -8.873   9.663  -9.412
  126    HD2  PHE  15           HD1      PHE  15  -4.803   9.805 -10.774
  127    HE1  PHE  15           HE2      PHE  15  -9.156  12.054 -10.009
  128    HE2  PHE  15           HE1      PHE  15  -5.086  12.194 -11.374
  129    HZ   PHE  15           HZ       PHE  15  -7.262  13.320 -10.991
  130    H    LEU  16           H        LEU  16  -5.023   6.381 -11.545
  131    HA   LEU  16           HA       LEU  16  -5.253   7.743 -14.202
  132    HB2  LEU  16           HB3      LEU  16  -3.028   7.461 -12.255
  133    HB3  LEU  16           HB2      LEU  16  -2.606   7.357 -13.964
  134    HG   LEU  16           HG       LEU  16  -4.408   9.560 -13.005
  135   HD11  LEU  16          HD11      LEU  16  -2.466  10.974 -12.574
  136   HD12  LEU  16          HD12      LEU  16  -1.375   9.651 -12.987
  137   HD13  LEU  16          HD13      LEU  16  -2.380   9.547 -11.541
  138   HD21  LEU  16          HD21      LEU  16  -3.894  10.536 -15.033
  139   HD22  LEU  16          HD22      LEU  16  -3.658   8.846 -15.479
  140   HD23  LEU  16          HD23      LEU  16  -2.269   9.853 -15.068
  141    HA   PRO  17           HA       PRO  17  -4.927   3.196 -15.022
  142    HB2  PRO  17           HB2      PRO  17  -6.915   3.088 -16.896
  143    HB3  PRO  17           HB3      PRO  17  -7.202   2.910 -15.155
  144    HG2  PRO  17           HG3      PRO  17  -7.703   5.223 -16.926
  145    HG3  PRO  17           HG2      PRO  17  -8.572   4.693 -15.479
  146    HD2  PRO  17           HD3      PRO  17  -6.743   6.798 -15.578
  147    HD3  PRO  17           HD2      PRO  17  -7.270   5.968 -14.101
  148    H    ASP  18           H        ASP  18  -4.698   6.054 -16.923
  149    HA   ASP  18           HA       ASP  18  -3.796   4.636 -19.339
  150    HB2  ASP  18           HB3      ASP  18  -4.025   7.565 -18.638
  151    HB3  ASP  18           HB2      ASP  18  -3.447   6.974 -20.191
  152    H    VAL  19           H        VAL  19  -2.397   5.161 -16.454
  153    HA   VAL  19           HA       VAL  19   0.281   5.799 -17.631
  154    HB   VAL  19           HB       VAL  19  -0.617   6.015 -14.742
  155   HG11  VAL  19          HG11      VAL  19   1.767   5.632 -14.903
  156   HG12  VAL  19          HG12      VAL  19   1.518   7.345 -14.568
  157   HG13  VAL  19          HG13      VAL  19   1.916   6.816 -16.202
  158   HG21  VAL  19          HG21      VAL  19  -1.765   7.692 -16.061
  159   HG22  VAL  19          HG22      VAL  19  -0.281   8.095 -16.924
  160   HG23  VAL  19          HG23      VAL  19  -0.440   8.489 -15.212
  161    H    ALA  20           H        ALA  20   1.875   4.264 -17.460
  162    HA   ALA  20           HA       ALA  20   1.152   1.586 -16.648
  163    HB1  ALA  20           HB1      ALA  20   3.270   2.851 -18.095
  164    HB2  ALA  20           HB2      ALA  20   2.871   1.135 -18.018
  165    HB3  ALA  20           HB3      ALA  20   3.979   1.836 -16.840
  166    HA   PRO  21           HA       PRO  21   1.970   2.401 -12.235
  167    HB2  PRO  21           HB2      PRO  21   2.163  -0.568 -12.165
  168    HB3  PRO  21           HB3      PRO  21   1.188   0.523 -11.163
  169    HG2  PRO  21           HG3      PRO  21   0.129  -0.978 -13.118
  170    HG3  PRO  21           HG2      PRO  21  -0.511   0.613 -12.676
  171    HD2  PRO  21           HD3      PRO  21   1.031  -0.182 -15.086
  172    HD3  PRO  21           HD2      PRO  21  -0.118   1.156 -14.861
  173    H    ALA  22           H        ALA  22   3.882   0.401 -14.386
  174    HA   ALA  22           HA       ALA  22   6.091  -0.106 -12.635
  175    HB1  ALA  22           HB1      ALA  22   5.711  -1.276 -14.809
  176    HB2  ALA  22           HB2      ALA  22   7.341  -0.617 -14.669
  177    HB3  ALA  22           HB3      ALA  22   6.134   0.215 -15.650
  178    H    ASP  23           H        ASP  23   5.084   2.731 -14.371
  179    HA   ASP  23           HA       ASP  23   7.724   4.006 -14.220
  180    HB2  ASP  23           HB3      ASP  23   6.611   5.948 -15.199
  181    HB3  ASP  23           HB2      ASP  23   6.143   4.495 -16.082
  182    H    VAL  24           H        VAL  24   5.669   3.228 -11.862
  183    HA   VAL  24           HA       VAL  24   5.850   5.854 -10.447
  184    HB   VAL  24           HB       VAL  24   4.342   3.393  -9.546
  185   HG11  VAL  24          HG11      VAL  24   4.636   4.969  -7.778
  186   HG12  VAL  24          HG12      VAL  24   2.997   5.222  -8.378
  187   HG13  VAL  24          HG13      VAL  24   4.286   6.334  -8.840
  188   HG21  VAL  24          HG21      VAL  24   2.329   4.480 -10.535
  189   HG22  VAL  24          HG22      VAL  24   3.508   4.030 -11.767
  190   HG23  VAL  24          HG23      VAL  24   3.368   5.712 -11.252
  191    H    ASP  25           H        ASP  25   7.229   6.044  -8.707
  192    HA   ASP  25           HA       ASP  25   8.902   3.697  -8.062
  193    HB2  ASP  25           HB3      ASP  25   9.014   6.586  -7.140
  194    HB3  ASP  25           HB2      ASP  25  10.177   5.344  -6.674
  195    H    VAL  26           H        VAL  26   8.303   2.371  -6.415
  196    HA   VAL  26           HA       VAL  26   6.165   3.100  -4.591
  197    HB   VAL  26           HB       VAL  26   6.532   0.895  -3.631
  198   HG11  VAL  26          HG11      VAL  26   6.959   0.830  -6.631
  199   HG12  VAL  26          HG12      VAL  26   5.399   1.037  -5.835
  200   HG13  VAL  26          HG13      VAL  26   6.289  -0.474  -5.651
  201   HG21  VAL  26          HG21      VAL  26   8.581  -0.272  -5.075
  202   HG22  VAL  26          HG22      VAL  26   8.708   0.291  -3.410
  203   HG23  VAL  26          HG23      VAL  26   9.215   1.338  -4.735
  204    H    ASP  27           H        ASP  27   9.264   4.146  -4.679
  205    HA   ASP  27           HA       ASP  27   9.750   3.947  -1.764
  206    HB2  ASP  27           HB3      ASP  27  11.932   4.920  -2.283
  207    HB3  ASP  27           HB2      ASP  27  11.630   3.558  -3.355
  208    H    LEU  28           H        LEU  28   7.964   5.844  -3.738
  209    HA   LEU  28           HA       LEU  28   8.608   8.380  -2.316
  210    HB2  LEU  28           HB3      LEU  28   8.377   8.438  -4.800
  211    HB3  LEU  28           HB2      LEU  28   6.714   7.887  -4.635
  212    HG   LEU  28           HG       LEU  28   6.258   9.890  -3.189
  213   HD11  LEU  28          HD11      LEU  28   9.154  10.216  -3.626
  214   HD12  LEU  28          HD12      LEU  28   8.129  10.862  -2.344
  215   HD13  LEU  28          HD13      LEU  28   8.218  11.685  -3.901
  216   HD21  LEU  28          HD21      LEU  28   6.026  11.405  -5.036
  217   HD22  LEU  28          HD22      LEU  28   5.854   9.782  -5.702
  218   HD23  LEU  28          HD23      LEU  28   7.371  10.659  -5.900
  219    H    ASP  29           H        ASP  29   7.188   9.165  -0.771
  220    HA   ASP  29           HA       ASP  29   5.265   7.431   0.368
  221    HB2  ASP  29           HB3      ASP  29   5.476  10.455   0.519
  222    HB3  ASP  29           HB2      ASP  29   4.412   9.489   1.540
  223    H    LEU  30           H        LEU  30   3.265   6.907  -0.277
  224    HA   LEU  30           HA       LEU  30   2.152   7.862  -2.728
  225    HB2  LEU  30           HB3      LEU  30   1.720   5.611  -1.725
  226    HB3  LEU  30           HB2      LEU  30   0.743   6.393  -0.485
  227    HG   LEU  30           HG       LEU  30  -0.722   7.330  -2.259
  228   HD11  LEU  30          HD11      LEU  30   0.359   7.490  -4.269
  229   HD12  LEU  30          HD12      LEU  30  -0.279   5.863  -4.505
  230   HD13  LEU  30          HD13      LEU  30   1.379   6.089  -3.945
  231   HD21  LEU  30          HD21      LEU  30  -0.669   4.442  -2.939
  232   HD22  LEU  30          HD22      LEU  30  -1.991   5.422  -2.303
  233   HD23  LEU  30          HD23      LEU  30  -0.741   4.814  -1.217
  234    H    VAL  31           H        VAL  31   1.471   8.681   0.659
  235    HA   VAL  31           HA       VAL  31  -0.848  10.269   0.079
  236    HB   VAL  31           HB       VAL  31   1.060  10.287   2.419
  237   HG11  VAL  31          HG11      VAL  31  -1.158  12.099   1.654
  238   HG12  VAL  31          HG12      VAL  31   0.198  12.381   2.747
  239   HG13  VAL  31          HG13      VAL  31  -1.218  11.490   3.309
  240   HG21  VAL  31          HG21      VAL  31  -0.395   8.281   2.037
  241   HG22  VAL  31          HG22      VAL  31  -1.805   9.337   2.104
  242   HG23  VAL  31          HG23      VAL  31  -0.789   9.135   3.530
  243    H    ASP  32           H        ASP  32   2.603  11.089   0.258
  244    HA   ASP  32           HA       ASP  32   2.382  13.899   0.215
  245    HB2  ASP  32           HB3      ASP  32   4.379  12.079  -1.163
  246    HB3  ASP  32           HB2      ASP  32   4.544  13.834  -1.120
  247    H    ASN  33           H        ASN  33   1.898  11.528  -2.314
  248    HA   ASN  33           HA       ASN  33   1.713  13.402  -4.501
  249    HB2  ASN  33           HB3      ASN  33   0.715  10.585  -4.104
  250    HB3  ASN  33           HB2      ASN  33   0.530  11.460  -5.619
  251   HD21  ASN  33          HD22      ASN  33   3.025  12.815  -5.729
  252   HD22  ASN  33          HD21      ASN  33   4.270  11.668  -5.864
  253    H    GLY  34           H        GLY  34  -0.580  12.070  -2.176
  254    HA2  GLY  34           HA3      GLY  34  -2.635  13.147  -1.543
  255    HA3  GLY  34           HA2      GLY  34  -2.552  14.116  -3.016
  256    H    VAL  35           H        VAL  35  -1.799  10.962  -3.764
  257    HA   VAL  35           HA       VAL  35  -4.129  10.541  -5.352
  258    HB   VAL  35           HB       VAL  35  -2.075   8.580  -4.289
  259   HG11  VAL  35          HG11      VAL  35  -4.424   8.257  -6.140
  260   HG12  VAL  35          HG12      VAL  35  -3.872   7.187  -4.851
  261   HG13  VAL  35          HG13      VAL  35  -2.980   7.270  -6.370
  262   HG21  VAL  35          HG21      VAL  35  -1.772  10.612  -6.111
  263   HG22  VAL  35          HG22      VAL  35  -2.214   9.264  -7.157
  264   HG23  VAL  35          HG23      VAL  35  -0.809   9.135  -6.100
  265    H    ILE  36           H        ILE  36  -3.328   9.653  -2.037
  266    HA   ILE  36           HA       ILE  36  -5.825   8.086  -1.791
  267    HB   ILE  36           HB       ILE  36  -3.710   8.727   0.289
  268   HG12  ILE  36          HG13      ILE  36  -4.122   6.181  -1.297
  269   HG13  ILE  36          HG12      ILE  36  -2.940   7.412  -1.721
  270   HG21  ILE  36          HG21      ILE  36  -6.309   7.638   0.516
  271   HG22  ILE  36          HG22      ILE  36  -5.046   7.657   1.748
  272   HG23  ILE  36          HG23      ILE  36  -5.189   6.282   0.652
  273   HD11  ILE  36          HD11      ILE  36  -2.758   6.724   1.094
  274   HD12  ILE  36          HD12      ILE  36  -1.500   6.687  -0.143
  275   HD13  ILE  36          HD13      ILE  36  -2.563   5.297   0.075
  276    H    ASP  37           H        ASP  37  -7.664   9.091  -1.235
  277    HA   ASP  37           HA       ASP  37  -7.510  11.602   0.369
  278    HB2  ASP  37           HB3      ASP  37  -9.429  10.777  -1.824
  279    HB3  ASP  37           HB2      ASP  37  -9.685  12.167  -0.778
  280    H    ALA  38           H        ALA  38 -10.145  11.844   1.077
  281    HA   ALA  38           HA       ALA  38 -10.427   9.924   3.187
  282    HB1  ALA  38           HB1      ALA  38 -11.627  11.799   3.748
  283    HB2  ALA  38           HB2      ALA  38 -12.939  10.913   2.972
  284    HB3  ALA  38           HB3      ALA  38 -12.056  12.147   2.073
  285    H    LEU  39           H        LEU  39 -12.313  10.362   0.188
  286    HA   LEU  39           HA       LEU  39 -13.692   7.834   0.482
  287    HB2  LEU  39           HB3      LEU  39 -13.301   9.681  -1.881
  288    HB3  LEU  39           HB2      LEU  39 -14.286   8.226  -1.947
  289    HG   LEU  39           HG       LEU  39 -15.585   9.140   0.019
  290   HD11  LEU  39          HD11      LEU  39 -14.234  10.776   1.006
  291   HD12  LEU  39          HD12      LEU  39 -15.375  11.753   0.082
  292   HD13  LEU  39          HD13      LEU  39 -13.755  11.459  -0.548
  293   HD21  LEU  39          HD21      LEU  39 -16.875   9.463  -1.836
  294   HD22  LEU  39          HD22      LEU  39 -15.546  10.176  -2.751
  295   HD23  LEU  39          HD23      LEU  39 -16.450  11.159  -1.599
  296    H    GLY  40           H        GLY  40 -10.774   9.007  -1.046
  297    HA2  GLY  40           HA3      GLY  40 -10.143   6.753  -2.646
  298    HA3  GLY  40           HA2      GLY  40  -8.957   7.870  -1.964
  299    H    LEU  41           H        LEU  41  -9.438   7.487   0.758
  300    HA   LEU  41           HA       LEU  41  -7.935   5.110   1.286
  301    HB2  LEU  41           HB3      LEU  41  -7.960   7.114   2.760
  302    HB3  LEU  41           HB2      LEU  41  -9.635   6.759   3.180
  303    HG   LEU  41           HG       LEU  41  -7.800   4.476   3.501
  304   HD11  LEU  41          HD11      LEU  41  -7.079   5.536   5.774
  305   HD12  LEU  41          HD12      LEU  41  -7.426   7.073   4.981
  306   HD13  LEU  41          HD13      LEU  41  -6.199   5.996   4.316
  307   HD21  LEU  41          HD21      LEU  41  -9.675   5.804   5.472
  308   HD22  LEU  41          HD22      LEU  41  -9.138   4.125   5.459
  309   HD23  LEU  41          HD23      LEU  41 -10.245   4.708   4.215
  310    H    LEU  42           H        LEU  42 -11.392   5.893   1.550
  311    HA   LEU  42           HA       LEU  42 -12.247   3.445   2.727
  312    HB2  LEU  42           HB3      LEU  42 -13.714   5.420   2.479
  313    HB3  LEU  42           HB2      LEU  42 -13.690   5.219   0.728
  314    HG   LEU  42           HG       LEU  42 -14.480   2.735   1.473
  315   HD11  LEU  42          HD11      LEU  42 -15.639   4.649   3.517
  316   HD12  LEU  42          HD12      LEU  42 -14.530   3.320   3.861
  317   HD13  LEU  42          HD13      LEU  42 -16.157   2.980   3.270
  318   HD21  LEU  42          HD21      LEU  42 -15.711   3.861  -0.171
  319   HD22  LEU  42          HD22      LEU  42 -16.014   5.251   0.873
  320   HD23  LEU  42          HD23      LEU  42 -16.867   3.734   1.157
  321    H    LYS  43           H        LYS  43 -11.913   4.386  -0.679
  322    HA   LYS  43           HA       LYS  43 -12.801   1.938  -1.805
  323    HB2  LYS  43           HB3      LYS  43 -10.816   3.967  -2.843
  324    HB3  LYS  43           HB2      LYS  43 -11.471   2.649  -3.807
  325    HG2  LYS  43           HG3      LYS  43 -13.771   3.506  -3.348
  326    HG3  LYS  43           HG2      LYS  43 -13.055   4.876  -2.499
  327    HD2  LYS  43           HD3      LYS  43 -11.813   5.471  -4.580
  328    HD3  LYS  43           HD2      LYS  43 -12.647   4.161  -5.417
  329    HE2  LYS  43           HE3      LYS  43 -14.652   5.281  -5.463
  330    HE3  LYS  43           HE2      LYS  43 -14.352   6.097  -3.929
  331    HZ1  LYS  43           HZ1      LYS  43 -13.750   7.869  -5.085
  332    HZ2  LYS  43           HZ2      LYS  43 -13.886   7.032  -6.553
  333    HZ3  LYS  43           HZ3      LYS  43 -12.423   7.001  -5.693
  334    H    VAL  44           H        VAL  44  -9.648   2.943  -0.583
  335    HA   VAL  44           HA       VAL  44  -8.102   0.792  -1.612
  336    HB   VAL  44           HB       VAL  44  -7.789   2.457   0.891
  337   HG11  VAL  44          HG11      VAL  44  -6.532   0.525   1.387
  338   HG12  VAL  44          HG12      VAL  44  -5.349   1.596   0.635
  339   HG13  VAL  44          HG13      VAL  44  -6.070   0.285  -0.299
  340   HG21  VAL  44          HG21      VAL  44  -5.815   2.719  -1.236
  341   HG22  VAL  44          HG22      VAL  44  -6.802   3.965  -0.472
  342   HG23  VAL  44          HG23      VAL  44  -7.446   3.038  -1.827
  343    H    ILE  45           H        ILE  45  -9.715   1.119   1.556
  344    HA   ILE  45           HA       ILE  45  -9.016  -1.519   2.437
  345    HB   ILE  45           HB       ILE  45 -11.168   0.425   3.290
  346   HG12  ILE  45          HG13      ILE  45  -9.588   0.303   5.389
  347   HG13  ILE  45          HG12      ILE  45  -8.405  -0.317   4.240
  348   HG21  ILE  45          HG21      ILE  45 -10.461  -2.315   4.332
  349   HG22  ILE  45          HG22      ILE  45 -12.046  -1.700   3.864
  350   HG23  ILE  45          HG23      ILE  45 -11.270  -1.109   5.333
  351   HD11  ILE  45          HD11      ILE  45  -8.342   2.187   4.556
  352   HD12  ILE  45          HD12      ILE  45  -9.942   2.259   3.822
  353   HD13  ILE  45          HD13      ILE  45  -8.567   1.669   2.889
  354    H    ALA  46           H        ALA  46 -11.767  -0.263   0.595
  355    HA   ALA  46           HA       ALA  46 -13.454  -2.548   0.914
  356    HB1  ALA  46           HB1      ALA  46 -13.272  -0.628  -1.422
  357    HB2  ALA  46           HB2      ALA  46 -14.254  -0.395   0.025
  358    HB3  ALA  46           HB3      ALA  46 -14.620  -1.714  -1.087
  359    H    TRP  47           H        TRP  47 -11.185  -1.755  -1.767
  360    HA   TRP  47           HA       TRP  47 -11.636  -4.404  -2.939
  361    HB2  TRP  47           HB3      TRP  47 -10.892  -3.341  -4.774
  362    HB3  TRP  47           HB2      TRP  47 -10.473  -1.929  -3.804
  363    HD1  TRP  47           HD1      TRP  47  -8.960  -5.406  -4.626
  364    HE1  TRP  47           HE1      TRP  47  -6.394  -5.156  -4.693
  365    HE3  TRP  47           HE3      TRP  47  -8.535  -0.491  -3.383
  366    HZ2  TRP  47           HZ2      TRP  47  -4.418  -3.122  -4.269
  367    HZ3  TRP  47           HZ3      TRP  47  -6.309   0.589  -3.217
  368    HH2  TRP  47           HH2      TRP  47  -4.250  -0.720  -3.661
  369    H    LEU  48           H        LEU  48  -8.967  -2.771  -1.242
  370    HA   LEU  48           HA       LEU  48  -7.097  -4.886  -1.393
  371    HB2  LEU  48           HB3      LEU  48  -6.630  -2.559  -0.562
  372    HB3  LEU  48           HB2      LEU  48  -7.475  -2.968   0.926
  373    HG   LEU  48           HG       LEU  48  -5.849  -4.946   1.104
  374   HD11  LEU  48          HD11      LEU  48  -5.038  -3.919  -1.409
  375   HD12  LEU  48          HD12      LEU  48  -4.291  -5.227  -0.494
  376   HD13  LEU  48          HD13      LEU  48  -3.730  -3.569  -0.280
  377   HD21  LEU  48          HD21      LEU  48  -5.502  -2.106   1.684
  378   HD22  LEU  48          HD22      LEU  48  -3.958  -2.949   1.552
  379   HD23  LEU  48          HD23      LEU  48  -5.170  -3.503   2.707
  380    H    GLU  49           H        GLU  49  -9.677  -4.292   0.996
  381    HA   GLU  49           HA       GLU  49  -8.953  -6.594   2.598
  382    HB2  GLU  49           HB3      GLU  49 -10.871  -6.096   3.880
  383    HB3  GLU  49           HB2      GLU  49 -10.312  -4.528   3.324
  384    HG2  GLU  49           HG3      GLU  49 -12.572  -4.397   2.804
  385    HG3  GLU  49           HG2      GLU  49 -11.915  -5.027   1.298
  386    H    ASP  50           H        ASP  50 -11.190  -5.991  -0.067
  387    HA   ASP  50           HA       ASP  50 -12.639  -8.439   0.073
  388    HB2  ASP  50           HB3      ASP  50 -13.249  -6.427  -1.289
  389    HB3  ASP  50           HB2      ASP  50 -11.966  -6.873  -2.412
  390    H    ARG  51           H        ARG  51  -9.626  -7.654  -1.669
  391    HA   ARG  51           HA       ARG  51  -9.482 -10.128  -3.080
  392    HB2  ARG  51           HB3      ARG  51  -7.018  -9.566  -3.274
  393    HB3  ARG  51           HB2      ARG  51  -8.127  -8.332  -3.860
  394    HG2  ARG  51           HG3      ARG  51  -7.919  -7.132  -1.726
  395    HG3  ARG  51           HG2      ARG  51  -6.808  -8.364  -1.137
  396    HD2  ARG  51           HD3      ARG  51  -6.370  -6.558  -3.531
  397    HD3  ARG  51           HD2      ARG  51  -5.538  -6.448  -1.979
  398    HE   ARG  51           HE       ARG  51  -5.275  -9.039  -3.344
  399   HH11  ARG  51          HH22      ARG  51  -4.053  -5.872  -2.739
  400   HH12  ARG  51          HH21      ARG  51  -2.424  -6.275  -3.166
  401   HH21  ARG  51          HH11      ARG  51  -3.155  -9.582  -3.905
  402   HH22  ARG  51          HH12      ARG  51  -1.915  -8.376  -3.826
  403    H    PHE  52           H        PHE  52  -8.252  -9.261   0.175
  404    HA   PHE  52           HA       PHE  52  -7.040 -11.947   0.367
  405    HB2  PHE  52           HB3      PHE  52  -7.087  -9.570   2.242
  406    HB3  PHE  52           HB2      PHE  52  -6.393 -11.128   2.681
  407    HD1  PHE  52           HD1      PHE  52  -4.564 -12.115   1.196
  408    HD2  PHE  52           HD2      PHE  52  -5.871  -8.035   0.912
  409    HE1  PHE  52           HE1      PHE  52  -2.475 -11.531  -0.005
  410    HE2  PHE  52           HE2      PHE  52  -3.783  -7.451  -0.293
  411    HZ   PHE  52           HZ       PHE  52  -2.085  -9.198  -0.751
  412    H    GLY  53           H        GLY  53 -10.043 -10.493   1.003
  413    HA2  GLY  53           HA3      GLY  53 -11.987 -11.474   1.900
  414    HA3  GLY  53           HA2      GLY  53 -11.053 -12.947   2.183
  415    H    ILE  54           H        ILE  54  -9.965  -9.837   3.348
  416    HA   ILE  54           HA       ILE  54 -10.423 -10.824   6.129
  417    HB   ILE  54           HB       ILE  54  -8.553  -9.362   6.761
  418   HG12  ILE  54          HG13      ILE  54  -8.513  -8.676   3.802
  419   HG13  ILE  54          HG12      ILE  54  -8.952  -7.577   5.110
  420   HG21  ILE  54          HG21      ILE  54  -7.960 -11.081   4.332
  421   HG22  ILE  54          HG22      ILE  54  -8.055 -11.651   5.997
  422   HG23  ILE  54          HG23      ILE  54  -6.768 -10.546   5.517
  423   HD11  ILE  54          HD11      ILE  54  -6.705  -7.037   4.730
  424   HD12  ILE  54          HD12      ILE  54  -6.255  -8.716   4.432
  425   HD13  ILE  54          HD13      ILE  54  -6.603  -8.175   6.074
  426    H    ALA  55           H        ALA  55 -11.170  -9.280   7.723
  427    HA   ALA  55           HA       ALA  55 -12.784  -7.094   6.496
  428    HB1  ALA  55           HB1      ALA  55 -12.980  -8.288   9.277
  429    HB2  ALA  55           HB2      ALA  55 -13.959  -8.797   7.901
  430    HB3  ALA  55           HB3      ALA  55 -14.115  -7.159   8.537
  431    H    ALA  56           H        ALA  56 -12.128  -5.022   6.793
  432    HA   ALA  56           HA       ALA  56  -9.749  -4.394   8.295
  433    HB1  ALA  56           HB1      ALA  56 -10.043  -2.854   6.604
  434    HB2  ALA  56           HB2      ALA  56 -10.808  -1.964   7.921
  435    HB3  ALA  56           HB3      ALA  56 -11.798  -2.855   6.766
  436    H    ASP  57           H        ASP  57 -13.167  -4.376   9.040
  437    HA   ASP  57           HA       ASP  57 -13.230  -2.649  11.261
  438    HB2  ASP  57           HB3      ASP  57 -15.208  -3.787  10.203
  439    HB3  ASP  57           HB2      ASP  57 -14.730  -5.259  11.043
  440    H    ASP  58           H        ASP  58 -12.063  -5.970  11.037
  441    HA   ASP  58           HA       ASP  58 -11.916  -6.646  13.755
  442    HB2  ASP  58           HB3      ASP  58  -9.990  -7.265  11.513
  443    HB3  ASP  58           HB2      ASP  58  -9.913  -8.025  13.100
  444    H    VAL  59           H        VAL  59  -9.714  -4.614  11.859
  445    HA   VAL  59           HA       VAL  59  -8.434  -3.783  14.424
  446    HB   VAL  59           HB       VAL  59  -6.344  -3.500  13.125
  447   HG11  VAL  59          HG11      VAL  59  -5.879  -5.579  13.851
  448   HG12  VAL  59          HG12      VAL  59  -6.672  -6.245  12.425
  449   HG13  VAL  59          HG13      VAL  59  -7.604  -5.948  13.892
  450   HG21  VAL  59          HG21      VAL  59  -6.343  -4.749  10.865
  451   HG22  VAL  59          HG22      VAL  59  -7.081  -3.148  10.903
  452   HG23  VAL  59          HG23      VAL  59  -8.097  -4.589  10.929
  453    H    GLU  60           H        GLU  60  -7.648  -1.537  14.392
  454    HA   GLU  60           HA       GLU  60  -9.339   0.157  12.627
  455    HB2  GLU  60           HB3      GLU  60  -7.710   0.866  15.086
  456    HB3  GLU  60           HB2      GLU  60  -8.753   1.975  14.203
  457    HG2  GLU  60           HG3      GLU  60 -10.679   0.488  14.662
  458    HG3  GLU  60           HG2      GLU  60  -9.623  -0.551  15.613
  459    H    LEU  61           H        LEU  61  -8.417   1.167  10.909
  460    HA   LEU  61           HA       LEU  61  -5.450   1.279  10.780
  461    HB2  LEU  61           HB3      LEU  61  -7.541   1.407   8.593
  462    HB3  LEU  61           HB2      LEU  61  -5.804   1.498   8.336
  463    HG   LEU  61           HG       LEU  61  -5.890  -0.753   9.796
  464   HD11  LEU  61          HD11      LEU  61  -8.536  -0.629   8.322
  465   HD12  LEU  61          HD12      LEU  61  -8.314  -0.749  10.067
  466   HD13  LEU  61          HD13      LEU  61  -7.852  -2.093   9.024
  467   HD21  LEU  61          HD21      LEU  61  -6.234  -0.295   6.840
  468   HD22  LEU  61          HD22      LEU  61  -6.147  -1.936   7.479
  469   HD23  LEU  61          HD23      LEU  61  -4.798  -0.824   7.716
  470    H    SER  62           H        SER  62  -4.435   3.265  10.436
  471    HA   SER  62           HA       SER  62  -6.209   5.657  10.515
  472    HB2  SER  62           HB3      SER  62  -4.885   6.229  12.260
  473    HB3  SER  62           HB2      SER  62  -3.747   4.934  11.901
  474    HG   SER  62           HG       SER  62  -3.083   6.399  10.101
  475    HA   PRO  63           HA       PRO  63  -5.012   6.833   6.454
  476    HB2  PRO  63           HB2      PRO  63  -4.308   9.521   6.926
  477    HB3  PRO  63           HB3      PRO  63  -5.922   8.916   6.519
  478    HG2  PRO  63           HG3      PRO  63  -4.788   9.666   9.145
  479    HG3  PRO  63           HG2      PRO  63  -6.455   9.772   8.556
  480    HD2  PRO  63           HD3      PRO  63  -5.666   7.866  10.319
  481    HD3  PRO  63           HD2      PRO  63  -6.935   7.569   9.109
  482    H    GLU  64           H        GLU  64  -2.806   7.405   9.105
  483    HA   GLU  64           HA       GLU  64  -0.511   8.146   7.531
  484    HB2  GLU  64           HB3      GLU  64  -0.694   6.896  10.277
  485    HB3  GLU  64           HB2      GLU  64   0.752   7.615   9.589
  486    HG2  GLU  64           HG3      GLU  64  -0.462   9.766   9.368
  487    HG3  GLU  64           HG2      GLU  64  -1.852   9.031  10.157
  488    H    HIS  65           H        HIS  65  -2.022   5.131   8.378
  489    HA   HIS  65           HA       HIS  65   0.219   3.420   7.887
  490    HB2  HIS  65           HB3      HIS  65  -1.516   2.307   8.961
  491    HB3  HIS  65           HB2      HIS  65  -2.753   3.072   7.962
  492    HD1  HIS  65           HD1      HIS  65  -3.784   1.453   6.395
  493    HD2  HIS  65           HD2      HIS  65   0.249   0.596   7.029
  494    HE1  HIS  65           HE1      HIS  65  -3.246  -0.569   4.966
  495    HE2  HIS  65           HE2      HIS  65  -0.793  -1.091   5.336
  496    H    PHE  66           H        PHE  66  -1.881   5.196   5.817
  497    HA   PHE  66           HA       PHE  66  -1.095   3.582   3.465
  498    HB2  PHE  66           HB3      PHE  66  -2.925   5.993   3.535
  499    HB3  PHE  66           HB2      PHE  66  -2.800   4.776   2.265
  500    HD1  PHE  66           HD1      PHE  66  -3.610   5.156   5.894
  501    HD2  PHE  66           HD2      PHE  66  -4.186   2.876   2.302
  502    HE1  PHE  66           HE1      PHE  66  -5.328   3.786   7.041
  503    HE2  PHE  66           HE2      PHE  66  -5.902   1.504   3.452
  504    HZ   PHE  66           HZ       PHE  66  -6.469   1.966   5.825
  505    H    ARG  67           H        ARG  67   0.515   5.624   5.152
  506    HA   ARG  67           HA       ARG  67   1.140   7.924   3.690
  507    HB2  ARG  67           HB3      ARG  67   3.281   7.860   4.843
  508    HB3  ARG  67           HB2      ARG  67   2.017   7.312   5.941
  509    HG2  ARG  67           HG3      ARG  67   2.725   4.958   4.767
  510    HG3  ARG  67           HG2      ARG  67   4.266   5.806   4.743
  511    HD2  ARG  67           HD3      ARG  67   3.477   6.345   7.286
  512    HD3  ARG  67           HD2      ARG  67   2.697   4.784   7.042
  513    HE   ARG  67           HE       ARG  67   4.845   3.771   6.921
  514   HH11  ARG  67          HH22      ARG  67   4.955   7.218   6.902
  515   HH12  ARG  67          HH21      ARG  67   6.663   7.299   7.172
  516   HH21  ARG  67          HH11      ARG  67   7.083   3.861   7.277
  517   HH22  ARG  67          HH12      ARG  67   7.866   5.401   7.382
  518    H    SER  68           H        SER  68   2.182   4.581   3.126
  519    HA   SER  68           HA       SER  68   3.047   5.376   0.425
  520    HB2  SER  68           HB3      SER  68   5.104   5.646   1.776
  521    HB3  SER  68           HB2      SER  68   4.938   3.992   2.353
  522    HG   SER  68           HG       SER  68   6.096   4.844   0.138
  523    H    ILE  69           H        ILE  69   3.236   3.566  -1.004
  524    HA   ILE  69           HA       ILE  69   1.359   1.491  -0.623
  525    HB   ILE  69           HB       ILE  69   3.813   1.339  -2.390
  526   HG12  ILE  69          HG13      ILE  69   1.769   2.320  -3.952
  527   HG13  ILE  69          HG12      ILE  69   1.511   3.175  -2.433
  528   HG21  ILE  69          HG21      ILE  69   2.676  -0.283  -3.544
  529   HG22  ILE  69          HG22      ILE  69   1.103   0.439  -3.209
  530   HG23  ILE  69          HG23      ILE  69   1.914  -0.519  -1.972
  531   HD11  ILE  69          HD11      ILE  69   3.905   3.232  -4.247
  532   HD12  ILE  69          HD12      ILE  69   4.102   3.584  -2.531
  533   HD13  ILE  69          HD13      ILE  69   3.033   4.578  -3.517
  534    H    ARG  70           H        ARG  70   4.792   1.728   0.088
  535    HA   ARG  70           HA       ARG  70   5.416  -0.983   0.590
  536    HB2  ARG  70           HB3      ARG  70   6.374   1.454   2.124
  537    HB3  ARG  70           HB2      ARG  70   7.194  -0.103   2.032
  538    HG2  ARG  70           HG3      ARG  70   7.799   0.204  -0.207
  539    HG3  ARG  70           HG2      ARG  70   6.536   1.407  -0.483
  540    HD2  ARG  70           HD3      ARG  70   8.709   2.520  -0.340
  541    HD3  ARG  70           HD2      ARG  70   7.723   2.973   1.048
  542    HE   ARG  70           HE       ARG  70   9.149   0.812   1.983
  543   HH11  ARG  70          HH22      ARG  70   9.937   3.723   0.314
  544   HH12  ARG  70          HH21      ARG  70  11.512   3.860   1.021
  545   HH21  ARG  70          HH11      ARG  70  11.201   0.975   2.919
  546   HH22  ARG  70          HH12      ARG  70  12.227   2.304   2.496
  547    H    SER  71           H        SER  71   4.040   1.477   2.766
  548    HA   SER  71           HA       SER  71   3.899  -0.228   5.072
  549    HB2  SER  71           HB3      SER  71   3.720   2.294   5.078
  550    HB3  SER  71           HB2      SER  71   2.092   2.118   4.430
  551    HG   SER  71           HG       SER  71   1.874   2.191   6.618
  552    H    ILE  72           H        ILE  72   1.577   0.512   2.483
  553    HA   ILE  72           HA       ILE  72  -0.635  -0.876   3.592
  554    HB   ILE  72           HB       ILE  72   0.081  -0.481   0.676
  555   HG12  ILE  72          HG13      ILE  72  -1.546   1.243   2.577
  556   HG13  ILE  72          HG12      ILE  72   0.069   1.628   1.984
  557   HG21  ILE  72          HG21      ILE  72  -2.366  -0.637   0.357
  558   HG22  ILE  72          HG22      ILE  72  -2.558  -0.977   2.076
  559   HG23  ILE  72          HG23      ILE  72  -1.707  -2.122   1.042
  560   HD11  ILE  72          HD11      ILE  72  -1.054   2.729   0.339
  561   HD12  ILE  72          HD12      ILE  72  -2.536   1.809   0.603
  562   HD13  ILE  72          HD13      ILE  72  -1.230   1.120  -0.361
  563    H    ASP  73           H        ASP  73   1.809  -2.002   1.231
  564    HA   ASP  73           HA       ASP  73   0.805  -4.660   1.018
  565    HB2  ASP  73           HB3      ASP  73   2.633  -3.473  -0.384
  566    HB3  ASP  73           HB2      ASP  73   3.741  -3.982   0.887
  567    H    ALA  74           H        ALA  74   3.182  -3.219   3.222
  568    HA   ALA  74           HA       ALA  74   3.871  -5.662   4.554
  569    HB1  ALA  74           HB1      ALA  74   5.048  -4.300   6.081
  570    HB2  ALA  74           HB2      ALA  74   3.935  -2.949   5.861
  571    HB3  ALA  74           HB3      ALA  74   5.074  -3.369   4.582
  572    H    PHE  75           H        PHE  75   1.433  -3.171   5.250
  573    HA   PHE  75           HA       PHE  75   0.600  -4.244   7.759
  574    HB2  PHE  75           HB3      PHE  75  -0.031  -1.991   6.895
  575    HB3  PHE  75           HB2      PHE  75  -1.105  -2.777   5.741
  576    HD1  PHE  75           HD2      PHE  75  -0.468  -2.171   9.338
  577    HD2  PHE  75           HD1      PHE  75  -3.204  -3.742   6.424
  578    HE1  PHE  75           HE2      PHE  75  -2.234  -2.317  11.074
  579    HE2  PHE  75           HE1      PHE  75  -4.969  -3.889   8.159
  580    HZ   PHE  75           HZ       PHE  75  -4.484  -3.177  10.484
  581    H    VAL  76           H        VAL  76  -0.644  -4.813   4.458
  582    HA   VAL  76           HA       VAL  76  -2.657  -6.692   5.265
  583    HB   VAL  76           HB       VAL  76  -1.209  -6.352   2.624
  584   HG11  VAL  76          HG11      VAL  76  -3.838  -7.321   2.302
  585   HG12  VAL  76          HG12      VAL  76  -3.101  -8.311   3.559
  586   HG13  VAL  76          HG13      VAL  76  -2.335  -8.181   1.977
  587   HG21  VAL  76          HG21      VAL  76  -2.390  -4.325   3.363
  588   HG22  VAL  76          HG22      VAL  76  -3.850  -5.269   3.659
  589   HG23  VAL  76          HG23      VAL  76  -3.246  -5.071   2.014
  590    H    VAL  77           H        VAL  77   0.654  -7.152   3.953
  591    HA   VAL  77           HA       VAL  77   0.555 -10.024   4.163
  592    HB   VAL  77           HB       VAL  77   2.847  -8.057   3.951
  593   HG11  VAL  77          HG11      VAL  77   4.026  -9.824   4.796
  594   HG12  VAL  77          HG12      VAL  77   3.898 -10.400   3.134
  595   HG13  VAL  77          HG13      VAL  77   2.782 -10.996   4.363
  596   HG21  VAL  77          HG21      VAL  77   2.345  -8.098   1.755
  597   HG22  VAL  77          HG22      VAL  77   0.971  -9.150   2.091
  598   HG23  VAL  77          HG23      VAL  77   2.551  -9.850   1.738
  599    H    GLY  78           H        GLY  78   1.833  -7.449   6.240
  600    HA2  GLY  78           HA3      GLY  78   3.057  -9.083   8.204
  601    HA3  GLY  78           HA2      GLY  78   2.433  -7.464   8.498
  602    H    ALA  79           H        ALA  79  -0.319  -8.075   7.824
  603    HA   ALA  79           HA       ALA  79  -1.206  -9.012  10.389
  604    HB1  ALA  79           HB1      ALA  79  -2.882  -7.726   9.558
  605    HB2  ALA  79           HB2      ALA  79  -3.426  -9.226   8.805
  606    HB3  ALA  79           HB3      ALA  79  -2.450  -8.082   7.885
  607    H    THR  80           H        THR  80  -1.063 -10.581   7.198
  608    HA   THR  80           HA       THR  80  -2.246 -13.042   8.250
  609    HB   THR  80           HB       THR  80  -1.907 -13.925   6.011
  610    HG1  THR  80           HG1      THR  80  -0.460 -13.113   4.705
  611   HG21  THR  80          HG21      THR  80  -3.644 -12.038   6.547
  612   HG22  THR  80          HG22      THR  80  -3.360 -12.495   4.869
  613   HG23  THR  80          HG23      THR  80  -2.605 -11.043   5.528
  614    H    THR  81           H        THR  81   0.955 -11.771   7.620
  615    HA   THR  81           HA       THR  81   2.072 -14.232   8.852
  616    HB   THR  81           HB       THR  81   4.079 -13.485   7.204
  617    HG1  THR  81           HG1      THR  81   2.453 -13.299   5.206
  618   HG21  THR  81          HG21      THR  81   1.719 -15.269   6.577
  619   HG22  THR  81          HG22      THR  81   3.225 -15.746   7.361
  620   HG23  THR  81          HG23      THR  81   3.226 -15.273   5.662
  621    HA   PRO  82           HA       PRO  82   4.197 -11.487  11.573
  622    HB2  PRO  82           HB2      PRO  82   6.665 -12.749  11.753
  623    HB3  PRO  82           HB3      PRO  82   5.221 -13.209  12.672
  624    HG2  PRO  82           HG3      PRO  82   6.373 -14.423  10.220
  625    HG3  PRO  82           HG2      PRO  82   5.562 -15.195  11.594
  626    HD2  PRO  82           HD3      PRO  82   4.318 -14.805   9.203
  627    HD3  PRO  82           HD2      PRO  82   3.441 -14.784  10.750
  628    HA   PRO  83           HA       PRO  83   6.458  -9.217   8.315
  629    HB2  PRO  83           HB2      PRO  83   6.271  -6.739   9.466
  630    HB3  PRO  83           HB3      PRO  83   5.003  -7.471   8.472
  631    HG2  PRO  83           HG3      PRO  83   5.161  -7.157  11.403
  632    HG3  PRO  83           HG2      PRO  83   3.745  -7.196  10.344
  633    HD2  PRO  83           HD3      PRO  83   4.617  -9.308  11.943
  634    HD3  PRO  83           HD2      PRO  83   3.508  -9.460  10.564
  635    H    VAL  84           H        VAL  84   8.524  -8.301   8.149
  636    HA   VAL  84           HA       VAL  84  10.195  -8.541  10.611
  637    HB   VAL  84           HB       VAL  84  10.842  -9.924   8.629
  638   HG11  VAL  84          HG11      VAL  84  10.032  -8.214   6.954
  639   HG12  VAL  84          HG12      VAL  84  11.639  -8.857   6.614
  640   HG13  VAL  84          HG13      VAL  84  11.464  -7.256   7.332
  641   HG21  VAL  84          HG21      VAL  84  12.997  -9.698   9.280
  642   HG22  VAL  84          HG22      VAL  84  12.454  -8.346  10.273
  643   HG23  VAL  84          HG23      VAL  84  13.084  -8.052   8.652
  644    H    GLU  85           H        GLU  85  11.321  -6.741  11.357
  645    HA   GLU  85           HA       GLU  85  11.578  -4.411  11.682
  646    HB2  GLU  85           HB3      GLU  85  12.320  -4.714   8.754
  647    HB3  GLU  85           HB2      GLU  85  12.744  -3.337   9.772
  648    HG2  GLU  85           HG3      GLU  85  13.960  -4.875  11.303
  649    HG3  GLU  85           HG2      GLU  85  13.594  -6.214  10.215
  650    H    ALA  86           H        ALA  86   8.900  -4.966  11.331
  651    HA   ALA  86           HA       ALA  86   7.565  -3.700   9.188
  652    HB1  ALA  86           HB1      ALA  86   5.994  -3.202  11.458
  653    HB2  ALA  86           HB2      ALA  86   6.882  -4.678  11.837
  654    HB3  ALA  86           HB3      ALA  86   5.881  -4.599  10.387
  655    H    LYS  87           H        LYS  87   6.701  -1.576   8.961
  656    HA   LYS  87           HA       LYS  87   8.392   0.570   9.690
  657    HB2  LYS  87           HB3      LYS  87   5.445   0.591   8.971
  658    HB3  LYS  87           HB2      LYS  87   6.460   2.030   9.049
  659    HG2  LYS  87           HG3      LYS  87   7.966   1.031   7.338
  660    HG3  LYS  87           HG2      LYS  87   6.879  -0.355   7.221
  661    HD2  LYS  87           HD3      LYS  87   5.031   1.174   6.576
  662    HD3  LYS  87           HD2      LYS  87   6.156   2.529   6.624
  663    HE2  LYS  87           HE3      LYS  87   6.115   0.196   4.717
  664    HE3  LYS  87           HE2      LYS  87   6.126   1.920   4.346
  665    HZ1  LYS  87           HZ1      LYS  87   8.362   2.094   5.095
  666    HZ2  LYS  87           HZ2      LYS  87   8.293   0.789   4.013
  667    HZ3  LYS  87           HZ3      LYS  87   8.361   0.501   5.686
  668    H    LEU  88           H        LEU  88   5.570  -0.787  11.332
  669    HA   LEU  88           HA       LEU  88   5.735   1.301  13.427
  670    HB2  LEU  88           HB3      LEU  88   3.860  -1.076  13.219
  671    HB3  LEU  88           HB2      LEU  88   3.694   0.301  14.309
  672    HG   LEU  88           HG       LEU  88   3.574   0.382  11.281
  673   HD11  LEU  88          HD11      LEU  88   1.252   1.059  11.644
  674   HD12  LEU  88          HD12      LEU  88   1.483   0.995  13.391
  675   HD13  LEU  88          HD13      LEU  88   1.546  -0.488  12.439
  676   HD21  LEU  88          HD21      LEU  88   4.552   2.437  11.828
  677   HD22  LEU  88          HD22      LEU  88   3.745   2.516  13.394
  678   HD23  LEU  88          HD23      LEU  88   2.834   2.827  11.916
  679    H    GLN  89           H        GLN  89   6.417   0.861  15.534
  680    HA   GLN  89           HA       GLN  89   7.657  -0.241  17.195
  681    HB2  GLN  89           HB3      GLN  89   5.564  -1.633  17.187
  682    HB3  GLN  89           HB2      GLN  89   6.347  -2.720  16.038
  683    HG2  GLN  89           HG3      GLN  89   6.707  -3.686  18.194
  684    HG3  GLN  89           HG2      GLN  89   8.239  -2.938  17.739
  685   HE21  GLN  89          HE22      GLN  89   9.129  -1.652  19.354
  686   HE22  GLN  89          HE21      GLN  89   8.250  -0.868  20.575
  Start of MODEL   19
    1    H1   SER  -1           H1       SER  -1  11.259  -8.772   4.629
    2    H2   SER  -1           H2       SER  -1  11.227  -9.718   3.219
    3    H3   SER  -1           H3       SER  -1  10.633 -10.347   4.681
    4    HA   SER  -1           HA       SER  -1   8.618  -9.619   4.190
    5    HB2  SER  -1           HB3      SER  -1   9.424  -7.597   5.432
    6    HB3  SER  -1           HB2      SER  -1   9.900  -6.885   3.893
    7    HG   SER  -1           HG       SER  -1   7.499  -6.924   5.046
    8    H    GLU   0           H        GLU   0   7.781 -10.274   2.267
    9    HA   GLU   0           HA       GLU   0   8.962  -9.184  -0.242
   10    HB2  GLU   0           HB3      GLU   0   8.763 -11.672   0.048
   11    HB3  GLU   0           HB2      GLU   0   7.010 -11.480   0.102
   12    HG2  GLU   0           HG3      GLU   0   7.096 -10.396  -2.142
   13    HG3  GLU   0           HG2      GLU   0   8.829 -10.714  -2.200
   14    H    MET   1           H        MET   1   7.776  -7.825  -1.534
   15    HA   MET   1           HA       MET   1   5.437  -6.536  -0.546
   16    HB2  MET   1           HB3      MET   1   6.496  -6.739  -3.380
   17    HB3  MET   1           HB2      MET   1   5.225  -5.632  -2.862
   18    HG2  MET   1           HG3      MET   1   6.802  -4.651  -1.201
   19    HG3  MET   1           HG2      MET   1   8.074  -5.695  -1.836
   20    HE1  MET   1           HE1      MET   1   9.201  -2.300  -3.211
   21    HE2  MET   1           HE2      MET   1   9.632  -3.775  -2.335
   22    HE3  MET   1           HE3      MET   1   8.466  -2.648  -1.648
   23    H    GLN   2           H        GLN   2   5.849  -9.300  -2.704
   24    HA   GLN   2           HA       GLN   2   4.290 -10.817  -3.566
   25    HB2  GLN   2           HB3      GLN   2   2.722  -9.843  -1.155
   26    HB3  GLN   2           HB2      GLN   2   2.297 -11.249  -2.129
   27    HG2  GLN   2           HG3      GLN   2   4.446 -12.303  -1.588
   28    HG3  GLN   2           HG2      GLN   2   4.920 -10.885  -0.652
   29   HE21  GLN   2          HE22      GLN   2   4.735 -13.462   0.579
   30   HE22  GLN   2          HE21      GLN   2   3.441 -13.443   1.676
   31    H    HIS   3           H        HIS   3   3.811  -9.773  -5.512
   32    HA   HIS   3           HA       HIS   3   2.402  -8.795  -7.100
   33    HB2  HIS   3           HB3      HIS   3   0.299  -8.585  -4.939
   34    HB3  HIS   3           HB2      HIS   3   0.066  -8.725  -6.677
   35    HD1  HIS   3           HD1      HIS   3   1.037 -11.078  -7.736
   36    HD2  HIS   3           HD2      HIS   3   0.243 -11.034  -3.640
   37    HE1  HIS   3           HE1      HIS   3   0.881 -13.502  -7.008
   38    HE2  HIS   3           HE2      HIS   3   0.398 -13.485  -4.518
   39    H    ALA   4           H        ALA   4   4.190  -7.089  -5.692
   40    HA   ALA   4           HA       ALA   4   2.950  -4.750  -4.625
   41    HB1  ALA   4           HB1      ALA   4   5.360  -4.198  -6.187
   42    HB2  ALA   4           HB2      ALA   4   5.561  -5.582  -5.113
   43    HB3  ALA   4           HB3      ALA   4   5.086  -4.015  -4.455
   44    H    SER   5           H        SER   5   3.757  -5.691  -7.947
   45    HA   SER   5           HA       SER   5   3.176  -3.212  -9.213
   46    HB2  SER   5           HB3      SER   5   2.730  -5.996 -10.324
   47    HB3  SER   5           HB2      SER   5   2.911  -4.516 -11.262
   48    HG   SER   5           HG       SER   5   4.854  -5.493  -9.437
   49    H    VAL   6           H        VAL   6   1.055  -5.855  -8.197
   50    HA   VAL   6           HA       VAL   6  -1.302  -4.987  -9.540
   51    HB   VAL   6           HB       VAL   6  -0.924  -6.489  -6.949
   52   HG11  VAL   6          HG11      VAL   6  -3.099  -5.673  -6.695
   53   HG12  VAL   6          HG12      VAL   6  -3.382  -7.185  -7.559
   54   HG13  VAL   6          HG13      VAL   6  -3.398  -5.652  -8.433
   55   HG21  VAL   6          HG21      VAL   6  -1.618  -8.413  -8.385
   56   HG22  VAL   6          HG22      VAL   6  -0.121  -7.663  -8.937
   57   HG23  VAL   6          HG23      VAL   6  -1.636  -7.329  -9.775
   58    H    ILE   7           H        ILE   7  -0.067  -4.215  -6.293
   59    HA   ILE   7           HA       ILE   7  -2.222  -2.535  -5.492
   60    HB   ILE   7           HB       ILE   7   0.716  -2.274  -4.775
   61   HG12  ILE   7          HG13      ILE   7  -1.456  -3.757  -3.271
   62   HG13  ILE   7          HG12      ILE   7  -0.383  -4.556  -4.420
   63   HG21  ILE   7          HG21      ILE   7  -1.832  -1.340  -3.418
   64   HG22  ILE   7          HG22      ILE   7  -0.582  -0.316  -4.125
   65   HG23  ILE   7          HG23      ILE   7  -0.230  -1.273  -2.685
   66   HD11  ILE   7          HD11      ILE   7   1.560  -3.572  -3.091
   67   HD12  ILE   7          HD12      ILE   7   0.637  -4.836  -2.277
   68   HD13  ILE   7          HD13      ILE   7   0.375  -3.144  -1.855
   69    H    ALA   8           H        ALA   8   0.807  -1.804  -7.204
   70    HA   ALA   8           HA       ALA   8   0.445   1.011  -7.393
   71    HB1  ALA   8           HB1      ALA   8   1.735  -0.721  -9.513
   72    HB2  ALA   8           HB2      ALA   8   2.528  -0.344  -7.984
   73    HB3  ALA   8           HB3      ALA   8   2.115   0.953  -9.107
   74    H    GLN   9           H        GLN   9  -0.765  -1.671  -9.340
   75    HA   GLN   9           HA       GLN   9  -1.833  -0.128 -11.496
   76    HB2  GLN   9           HB3      GLN   9  -1.516  -2.622 -11.494
   77    HB3  GLN   9           HB2      GLN   9  -2.906  -2.746 -10.414
   78    HG2  GLN   9           HG3      GLN   9  -4.290  -1.562 -12.117
   79    HG3  GLN   9           HG2      GLN   9  -2.904  -1.568 -13.209
   80   HE21  GLN   9          HE22      GLN   9  -2.490  -4.380 -11.586
   81   HE22  GLN   9          HE21      GLN   9  -3.379  -5.438 -12.571
   82    H    PHE  10           H        PHE  10  -3.205  -1.089  -8.363
   83    HA   PHE  10           HA       PHE  10  -5.865  -0.170  -8.922
   84    HB2  PHE  10           HB3      PHE  10  -4.326  -0.737  -6.412
   85    HB3  PHE  10           HB2      PHE  10  -5.891   0.066  -6.309
   86    HD1  PHE  10           HD1      PHE  10  -7.921  -1.047  -7.301
   87    HD2  PHE  10           HD2      PHE  10  -4.163  -3.077  -6.851
   88    HE1  PHE  10           HE1      PHE  10  -9.077  -3.230  -7.518
   89    HE2  PHE  10           HE2      PHE  10  -5.318  -5.262  -7.072
   90    HZ   PHE  10           HZ       PHE  10  -7.775  -5.336  -7.399
   91    H    VAL  11           H        VAL  11  -3.180   1.442  -7.193
   92    HA   VAL  11           HA       VAL  11  -4.605   3.830  -6.639
   93    HB   VAL  11           HB       VAL  11  -2.294   4.889  -6.569
   94   HG11  VAL  11          HG11      VAL  11  -2.511   4.207  -4.437
   95   HG12  VAL  11          HG12      VAL  11  -1.707   2.702  -4.885
   96   HG13  VAL  11          HG13      VAL  11  -3.466   2.812  -4.942
   97   HG21  VAL  11          HG21      VAL  11  -1.541   2.058  -7.324
   98   HG22  VAL  11          HG22      VAL  11  -0.407   3.243  -6.686
   99   HG23  VAL  11          HG23      VAL  11  -1.185   3.518  -8.244
  100    H    VAL  12           H        VAL  12  -2.494   3.090  -9.456
  101    HA   VAL  12           HA       VAL  12  -2.921   5.633 -10.698
  102    HB   VAL  12           HB       VAL  12  -2.072   4.555 -12.737
  103   HG11  VAL  12          HG11      VAL  12  -0.241   3.192 -11.007
  104   HG12  VAL  12          HG12      VAL  12  -0.780   4.667 -10.205
  105   HG13  VAL  12          HG13      VAL  12  -0.039   4.752 -11.804
  106   HG21  VAL  12          HG21      VAL  12  -2.470   2.031 -11.121
  107   HG22  VAL  12          HG22      VAL  12  -1.498   2.102 -12.587
  108   HG23  VAL  12          HG23      VAL  12  -3.225   2.436 -12.660
  109    H    GLU  13           H        GLU  13  -4.624   2.499 -11.076
  110    HA   GLU  13           HA       GLU  13  -6.394   3.427 -13.128
  111    HB2  GLU  13           HB3      GLU  13  -6.602   1.204 -11.106
  112    HB3  GLU  13           HB2      GLU  13  -7.845   1.501 -12.314
  113    HG2  GLU  13           HG3      GLU  13  -6.133   1.306 -14.094
  114    HG3  GLU  13           HG2      GLU  13  -4.932   0.922 -12.867
  115    H    GLU  14           H        GLU  14  -6.390   3.803  -9.672
  116    HA   GLU  14           HA       GLU  14  -9.158   4.425  -9.320
  117    HB2  GLU  14           HB3      GLU  14  -7.487   3.952  -7.483
  118    HB3  GLU  14           HB2      GLU  14  -6.846   5.576  -7.739
  119    HG2  GLU  14           HG3      GLU  14  -9.118   6.507  -7.305
  120    HG3  GLU  14           HG2      GLU  14  -9.692   4.877  -6.959
  121    H    PHE  15           H        PHE  15  -6.426   6.367 -10.440
  122    HA   PHE  15           HA       PHE  15  -8.380   8.508 -11.108
  123    HB2  PHE  15           HB3      PHE  15  -5.791   8.912  -9.592
  124    HB3  PHE  15           HB2      PHE  15  -6.692  10.224 -10.350
  125    HD1  PHE  15           HD2      PHE  15  -9.108  10.617  -9.654
  126    HD2  PHE  15           HD1      PHE  15  -6.443   8.039  -7.483
  127    HE1  PHE  15           HE2      PHE  15 -10.597  10.744  -7.675
  128    HE2  PHE  15           HE1      PHE  15  -7.932   8.169  -5.504
  129    HZ   PHE  15           HZ       PHE  15 -10.008   9.521  -5.599
  130    H    LEU  16           H        LEU  16  -5.140   7.132 -11.617
  131    HA   LEU  16           HA       LEU  16  -5.120   8.470 -14.296
  132    HB2  LEU  16           HB3      LEU  16  -3.023   8.101 -12.221
  133    HB3  LEU  16           HB2      LEU  16  -2.522   7.951 -13.904
  134    HG   LEU  16           HG       LEU  16  -4.175  10.279 -12.919
  135   HD11  LEU  16          HD11      LEU  16  -2.147  11.554 -12.643
  136   HD12  LEU  16          HD12      LEU  16  -1.164  10.223 -13.255
  137   HD13  LEU  16          HD13      LEU  16  -1.970  10.079 -11.694
  138   HD21  LEU  16          HD21      LEU  16  -3.380   9.377 -15.468
  139   HD22  LEU  16          HD22      LEU  16  -2.324  10.742 -15.105
  140   HD23  LEU  16          HD23      LEU  16  -4.075  10.948 -15.072
  141    HA   PRO  17           HA       PRO  17  -5.037   3.876 -14.937
  142    HB2  PRO  17           HB2      PRO  17  -6.916   3.819 -16.923
  143    HB3  PRO  17           HB3      PRO  17  -7.312   3.726 -15.199
  144    HG2  PRO  17           HG3      PRO  17  -7.559   5.998 -17.073
  145    HG3  PRO  17           HG2      PRO  17  -8.545   5.576 -15.667
  146    HD2  PRO  17           HD3      PRO  17  -6.590   7.561 -15.718
  147    HD3  PRO  17           HD2      PRO  17  -7.245   6.810 -14.249
  148    H    ASP  18           H        ASP  18  -4.449   6.627 -16.897
  149    HA   ASP  18           HA       ASP  18  -3.524   5.030 -19.202
  150    HB2  ASP  18           HB3      ASP  18  -3.696   8.001 -18.702
  151    HB3  ASP  18           HB2      ASP  18  -3.060   7.295 -20.181
  152    H    VAL  19           H        VAL  19  -2.188   5.435 -16.342
  153    HA   VAL  19           HA       VAL  19   0.504   6.216 -17.387
  154    HB   VAL  19           HB       VAL  19  -0.499   6.105 -14.526
  155   HG11  VAL  19          HG11      VAL  19   1.801   7.681 -14.712
  156   HG12  VAL  19          HG12      VAL  19   2.151   6.282 -15.728
  157   HG13  VAL  19          HG13      VAL  19   1.706   6.054 -14.037
  158   HG21  VAL  19          HG21      VAL  19   0.153   8.479 -16.303
  159   HG22  VAL  19          HG22      VAL  19  -0.448   8.545 -14.647
  160   HG23  VAL  19          HG23      VAL  19  -1.481   7.928 -15.936
  161    H    ALA  20           H        ALA  20   2.129   4.721 -17.379
  162    HA   ALA  20           HA       ALA  20   1.487   1.942 -16.902
  163    HB1  ALA  20           HB1      ALA  20   3.886   1.564 -17.442
  164    HB2  ALA  20           HB2      ALA  20   4.135   3.310 -17.435
  165    HB3  ALA  20           HB3      ALA  20   3.078   2.575 -18.641
  166    HA   PRO  21           HA       PRO  21   2.263   2.259 -12.426
  167    HB2  PRO  21           HB2      PRO  21   2.554  -0.684 -12.630
  168    HB3  PRO  21           HB3      PRO  21   1.489   0.273 -11.587
  169    HG2  PRO  21           HG3      PRO  21   0.624  -1.105 -13.748
  170    HG3  PRO  21           HG2      PRO  21  -0.165   0.352 -13.131
  171    HD2  PRO  21           HD3      PRO  21   1.442   0.001 -15.587
  172    HD3  PRO  21           HD2      PRO  21   0.233   1.241 -15.188
  173    H    ALA  22           H        ALA  22   4.258   0.504 -14.733
  174    HA   ALA  22           HA       ALA  22   6.450  -0.078 -12.983
  175    HB1  ALA  22           HB1      ALA  22   7.543   0.353 -15.524
  176    HB2  ALA  22           HB2      ALA  22   5.896  -0.195 -15.836
  177    HB3  ALA  22           HB3      ALA  22   6.987  -1.188 -14.871
  178    H    ASP  23           H        ASP  23   5.450   2.855 -14.592
  179    HA   ASP  23           HA       ASP  23   8.061   4.141 -14.176
  180    HB2  ASP  23           HB3      ASP  23   7.044   6.103 -15.199
  181    HB3  ASP  23           HB2      ASP  23   6.658   4.680 -16.164
  182    H    VAL  24           H        VAL  24   5.822   3.263 -12.038
  183    HA   VAL  24           HA       VAL  24   5.770   5.857 -10.565
  184    HB   VAL  24           HB       VAL  24   4.404   3.276  -9.782
  185   HG11  VAL  24          HG11      VAL  24   4.765   5.605  -8.394
  186   HG12  VAL  24          HG12      VAL  24   3.412   4.502  -8.146
  187   HG13  VAL  24          HG13      VAL  24   3.220   5.913  -9.186
  188   HG21  VAL  24          HG21      VAL  24   3.737   3.992 -12.092
  189   HG22  VAL  24          HG22      VAL  24   3.253   5.553 -11.429
  190   HG23  VAL  24          HG23      VAL  24   2.410   4.085 -10.935
  191    H    ASP  25           H        ASP  25   7.070   6.139  -8.788
  192    HA   ASP  25           HA       ASP  25   8.838   3.898  -8.026
  193    HB2  ASP  25           HB3      ASP  25   9.731   6.223  -8.356
  194    HB3  ASP  25           HB2      ASP  25   8.773   6.741  -6.967
  195    H    VAL  26           H        VAL  26   8.214   2.559  -6.399
  196    HA   VAL  26           HA       VAL  26   5.987   3.243  -4.660
  197    HB   VAL  26           HB       VAL  26   6.396   1.045  -3.662
  198   HG11  VAL  26          HG11      VAL  26   6.204   1.493  -6.558
  199   HG12  VAL  26          HG12      VAL  26   5.231   0.456  -5.515
  200   HG13  VAL  26          HG13      VAL  26   6.780  -0.119  -6.131
  201   HG21  VAL  26          HG21      VAL  26   8.454  -0.089  -5.118
  202   HG22  VAL  26          HG22      VAL  26   8.583   0.479  -3.454
  203   HG23  VAL  26          HG23      VAL  26   9.064   1.533  -4.784
  204    H    ASP  27           H        ASP  27   9.042   4.364  -4.664
  205    HA   ASP  27           HA       ASP  27   9.473   4.186  -1.736
  206    HB2  ASP  27           HB3      ASP  27  11.158   5.299  -3.998
  207    HB3  ASP  27           HB2      ASP  27  11.623   5.362  -2.301
  208    H    LEU  28           H        LEU  28   7.725   6.058  -3.797
  209    HA   LEU  28           HA       LEU  28   8.347   8.642  -2.483
  210    HB2  LEU  28           HB3      LEU  28   7.980   8.556  -4.950
  211    HB3  LEU  28           HB2      LEU  28   6.334   8.004  -4.662
  212    HG   LEU  28           HG       LEU  28   5.963  10.094  -3.290
  213   HD11  LEU  28          HD11      LEU  28   8.060  10.902  -2.672
  214   HD12  LEU  28          HD12      LEU  28   7.688  11.942  -4.047
  215   HD13  LEU  28          HD13      LEU  28   8.769  10.565  -4.252
  216   HD21  LEU  28          HD21      LEU  28   6.660  10.220  -6.227
  217   HD22  LEU  28          HD22      LEU  28   5.998  11.615  -5.374
  218   HD23  LEU  28          HD23      LEU  28   5.063  10.123  -5.485
  219    H    ASP  29           H        ASP  29   6.865   9.682  -1.106
  220    HA   ASP  29           HA       ASP  29   5.056   7.980   0.341
  221    HB2  ASP  29           HB3      ASP  29   6.157  10.019   1.301
  222    HB3  ASP  29           HB2      ASP  29   5.115  11.013   0.285
  223    H    LEU  30           H        LEU  30   3.135   7.309  -0.363
  224    HA   LEU  30           HA       LEU  30   1.863   8.236  -2.725
  225    HB2  LEU  30           HB3      LEU  30   1.547   5.991  -1.676
  226    HB3  LEU  30           HB2      LEU  30   0.597   6.758  -0.407
  227    HG   LEU  30           HG       LEU  30  -0.968   7.623  -2.134
  228   HD11  LEU  30          HD11      LEU  30   1.098   6.427  -3.888
  229   HD12  LEU  30          HD12      LEU  30   0.017   7.785  -4.189
  230   HD13  LEU  30          HD13      LEU  30  -0.571   6.132  -4.373
  231   HD21  LEU  30          HD21      LEU  30  -2.177   5.668  -2.135
  232   HD22  LEU  30          HD22      LEU  30  -0.897   5.146  -1.040
  233   HD23  LEU  30          HD23      LEU  30  -0.825   4.716  -2.748
  234    H    VAL  31           H        VAL  31   1.290   9.089   0.680
  235    HA   VAL  31           HA       VAL  31  -1.109  10.573   0.168
  236    HB   VAL  31           HB       VAL  31   0.899  10.737   2.417
  237   HG11  VAL  31          HG11      VAL  31  -1.396  11.856   3.376
  238   HG12  VAL  31          HG12      VAL  31  -1.428  12.428   1.706
  239   HG13  VAL  31          HG13      VAL  31  -0.046  12.795   2.738
  240   HG21  VAL  31          HG21      VAL  31  -0.840   9.529   3.638
  241   HG22  VAL  31          HG22      VAL  31  -0.476   8.658   2.148
  242   HG23  VAL  31          HG23      VAL  31  -1.929   9.649   2.256
  243    H    ASP  32           H        ASP  32   2.309  11.550   0.195
  244    HA   ASP  32           HA       ASP  32   1.957  14.343   0.075
  245    HB2  ASP  32           HB3      ASP  32   3.989  12.578  -1.322
  246    HB3  ASP  32           HB2      ASP  32   4.080  14.340  -1.313
  247    H    ASN  33           H        ASN  33   1.518  11.877  -2.371
  248    HA   ASN  33           HA       ASN  33   1.179  13.673  -4.603
  249    HB2  ASN  33           HB3      ASN  33   0.368  10.818  -4.089
  250    HB3  ASN  33           HB2      ASN  33   0.051  11.630  -5.617
  251   HD21  ASN  33          HD22      ASN  33   2.396  13.099  -6.015
  252   HD22  ASN  33          HD21      ASN  33   3.726  12.051  -6.127
  253    H    GLY  34           H        GLY  34  -0.997  12.285  -2.194
  254    HA2  GLY  34           HA3      GLY  34  -3.095  13.264  -1.547
  255    HA3  GLY  34           HA2      GLY  34  -3.085  14.209  -3.040
  256    H    VAL  35           H        VAL  35  -2.182  11.085  -3.742
  257    HA   VAL  35           HA       VAL  35  -4.502  10.506  -5.289
  258    HB   VAL  35           HB       VAL  35  -2.359   8.671  -4.171
  259   HG11  VAL  35          HG11      VAL  35  -4.161   7.224  -4.663
  260   HG12  VAL  35          HG12      VAL  35  -3.196   7.207  -6.139
  261   HG13  VAL  35          HG13      VAL  35  -4.663   8.182  -6.057
  262   HG21  VAL  35          HG21      VAL  35  -1.111   9.289  -5.958
  263   HG22  VAL  35          HG22      VAL  35  -2.228  10.644  -6.124
  264   HG23  VAL  35          HG23      VAL  35  -2.487   9.169  -7.056
  265    H    ILE  36           H        ILE  36  -3.666   9.852  -1.947
  266    HA   ILE  36           HA       ILE  36  -6.079   8.169  -1.602
  267    HB   ILE  36           HB       ILE  36  -3.974   8.983   0.427
  268   HG12  ILE  36          HG13      ILE  36  -4.254   6.353  -1.046
  269   HG13  ILE  36          HG12      ILE  36  -3.171   7.636  -1.567
  270   HG21  ILE  36          HG21      ILE  36  -5.220   7.862   1.931
  271   HG22  ILE  36          HG22      ILE  36  -5.342   6.473   0.852
  272   HG23  ILE  36          HG23      ILE  36  -6.507   7.791   0.727
  273   HD11  ILE  36          HD11      ILE  36  -2.841   7.155   1.261
  274   HD12  ILE  36          HD12      ILE  36  -1.637   7.055  -0.024
  275   HD13  ILE  36          HD13      ILE  36  -2.635   5.652   0.358
  276    H    ASP  37           H        ASP  37  -7.924   8.976  -0.770
  277    HA   ASP  37           HA       ASP  37  -7.846  11.533   0.751
  278    HB2  ASP  37           HB3      ASP  37  -8.448  11.903  -1.702
  279    HB3  ASP  37           HB2      ASP  37  -9.907  10.960  -1.393
  280    H    ALA  38           H        ALA  38 -10.636  11.737   1.117
  281    HA   ALA  38           HA       ALA  38 -11.067   9.825   3.205
  282    HB1  ALA  38           HB1      ALA  38 -12.339  11.746   3.526
  283    HB2  ALA  38           HB2      ALA  38 -13.554  10.671   2.835
  284    HB3  ALA  38           HB3      ALA  38 -12.759  11.873   1.817
  285    H    LEU  39           H        LEU  39 -12.632  10.146   0.013
  286    HA   LEU  39           HA       LEU  39 -13.899   7.548   0.189
  287    HB2  LEU  39           HB3      LEU  39 -13.370   9.401  -2.141
  288    HB3  LEU  39           HB2      LEU  39 -14.271   7.898  -2.286
  289    HG   LEU  39           HG       LEU  39 -15.803   8.757  -0.474
  290   HD11  LEU  39          HD11      LEU  39 -15.719  11.381  -0.414
  291   HD12  LEU  39          HD12      LEU  39 -14.028  11.151  -0.859
  292   HD13  LEU  39          HD13      LEU  39 -14.649  10.456   0.638
  293   HD21  LEU  39          HD21      LEU  39 -16.709  10.655  -2.121
  294   HD22  LEU  39          HD22      LEU  39 -16.814   8.945  -2.544
  295   HD23  LEU  39          HD23      LEU  39 -15.513   9.938  -3.202
  296    H    GLY  40           H        GLY  40 -10.914   8.875  -1.067
  297    HA2  GLY  40           HA3      GLY  40 -10.013   6.649  -2.574
  298    HA3  GLY  40           HA2      GLY  40  -8.960   7.835  -1.800
  299    H    LEU  41           H        LEU  41  -9.583   7.462   0.863
  300    HA   LEU  41           HA       LEU  41  -8.043   5.147   1.536
  301    HB2  LEU  41           HB3      LEU  41  -8.262   7.186   2.962
  302    HB3  LEU  41           HB2      LEU  41  -9.936   6.738   3.294
  303    HG   LEU  41           HG       LEU  41  -7.956   4.591   3.754
  304   HD11  LEU  41          HD11      LEU  41  -6.557   6.224   4.693
  305   HD12  LEU  41          HD12      LEU  41  -7.529   5.723   6.078
  306   HD13  LEU  41          HD13      LEU  41  -7.914   7.218   5.222
  307   HD21  LEU  41          HD21      LEU  41 -10.524   4.773   4.291
  308   HD22  LEU  41          HD22      LEU  41  -9.977   5.683   5.698
  309   HD23  LEU  41          HD23      LEU  41  -9.451   4.016   5.468
  310    H    LEU  42           H        LEU  42 -11.523   5.802   1.490
  311    HA   LEU  42           HA       LEU  42 -12.406   3.374   2.681
  312    HB2  LEU  42           HB3      LEU  42 -13.895   5.297   2.236
  313    HB3  LEU  42           HB2      LEU  42 -13.721   5.030   0.503
  314    HG   LEU  42           HG       LEU  42 -14.504   2.554   1.286
  315   HD11  LEU  42          HD11      LEU  42 -14.739   3.508   3.651
  316   HD12  LEU  42          HD12      LEU  42 -16.141   2.652   3.009
  317   HD13  LEU  42          HD13      LEU  42 -16.118   4.416   3.030
  318   HD21  LEU  42          HD21      LEU  42 -16.052   4.995   0.455
  319   HD22  LEU  42          HD22      LEU  42 -16.878   3.460   0.718
  320   HD23  LEU  42          HD23      LEU  42 -15.614   3.581  -0.507
  321    H    LYS  43           H        LYS  43 -11.814   4.195  -0.725
  322    HA   LYS  43           HA       LYS  43 -12.545   1.688  -1.826
  323    HB2  LYS  43           HB3      LYS  43 -10.492   3.704  -2.753
  324    HB3  LYS  43           HB2      LYS  43 -11.035   2.339  -3.719
  325    HG2  LYS  43           HG3      LYS  43 -13.376   3.181  -3.524
  326    HG3  LYS  43           HG2      LYS  43 -12.762   4.597  -2.671
  327    HD2  LYS  43           HD3      LYS  43 -11.320   5.109  -4.650
  328    HD3  LYS  43           HD2      LYS  43 -12.074   3.762  -5.503
  329    HE2  LYS  43           HE3      LYS  43 -13.739   5.138  -6.128
  330    HE3  LYS  43           HE2      LYS  43 -14.187   5.312  -4.431
  331    HZ1  LYS  43           HZ1      LYS  43 -12.445   7.032  -6.069
  332    HZ2  LYS  43           HZ2      LYS  43 -12.273   7.005  -4.382
  333    HZ3  LYS  43           HZ3      LYS  43 -13.753   7.468  -5.076
  334    H    VAL  44           H        VAL  44  -9.513   2.829  -0.422
  335    HA   VAL  44           HA       VAL  44  -7.901   0.582  -1.145
  336    HB   VAL  44           HB       VAL  44  -7.694   2.495   1.190
  337   HG11  VAL  44          HG11      VAL  44  -6.442   0.468   1.696
  338   HG12  VAL  44          HG12      VAL  44  -5.300   1.727   1.226
  339   HG13  VAL  44          HG13      VAL  44  -5.734   0.458   0.081
  340   HG21  VAL  44          HG21      VAL  44  -6.196   3.730  -0.188
  341   HG22  VAL  44          HG22      VAL  44  -7.556   3.336  -1.241
  342   HG23  VAL  44          HG23      VAL  44  -6.057   2.412  -1.354
  343    H    ILE  45           H        ILE  45  -9.902   1.220   1.718
  344    HA   ILE  45           HA       ILE  45  -9.117  -1.107   3.158
  345    HB   ILE  45           HB       ILE  45 -11.318   0.870   3.291
  346   HG12  ILE  45          HG13      ILE  45 -10.543   1.050   5.576
  347   HG13  ILE  45          HG12      ILE  45  -9.615  -0.439   5.428
  348   HG21  ILE  45          HG21      ILE  45 -12.372  -0.547   5.143
  349   HG22  ILE  45          HG22      ILE  45 -11.501  -1.916   4.455
  350   HG23  ILE  45          HG23      ILE  45 -12.705  -1.059   3.489
  351   HD11  ILE  45          HD11      ILE  45  -8.490   1.973   5.109
  352   HD12  ILE  45          HD12      ILE  45  -9.041   1.717   3.455
  353   HD13  ILE  45          HD13      ILE  45  -7.943   0.561   4.206
  354    H    ALA  46           H        ALA  46 -12.008  -0.570   1.109
  355    HA   ALA  46           HA       ALA  46 -13.004  -3.234   1.424
  356    HB1  ALA  46           HB1      ALA  46 -13.500  -1.344  -0.880
  357    HB2  ALA  46           HB2      ALA  46 -14.337  -1.267   0.672
  358    HB3  ALA  46           HB3      ALA  46 -14.531  -2.680  -0.366
  359    H    TRP  47           H        TRP  47 -11.198  -1.816  -1.355
  360    HA   TRP  47           HA       TRP  47 -11.198  -4.366  -2.731
  361    HB2  TRP  47           HB3      TRP  47 -10.791  -2.938  -4.409
  362    HB3  TRP  47           HB2      TRP  47 -10.312  -1.664  -3.288
  363    HD1  TRP  47           HD1      TRP  47  -8.737  -4.987  -4.563
  364    HE1  TRP  47           HE1      TRP  47  -6.220  -4.558  -4.944
  365    HE3  TRP  47           HE3      TRP  47  -8.476  -0.114  -3.165
  366    HZ2  TRP  47           HZ2      TRP  47  -4.343  -2.405  -4.677
  367    HZ3  TRP  47           HZ3      TRP  47  -6.323   1.121  -3.226
  368    HH2  TRP  47           HH2      TRP  47  -4.256  -0.021  -3.985
  369    H    LEU  48           H        LEU  48  -8.598  -2.579  -1.012
  370    HA   LEU  48           HA       LEU  48  -6.600  -4.529  -1.490
  371    HB2  LEU  48           HB3      LEU  48  -6.509  -2.141  -0.330
  372    HB3  LEU  48           HB2      LEU  48  -6.652  -3.097   1.141
  373    HG   LEU  48           HG       LEU  48  -4.301  -2.801   0.677
  374   HD11  LEU  48          HD11      LEU  48  -3.595  -5.048   0.722
  375   HD12  LEU  48          HD12      LEU  48  -4.901  -5.574  -0.338
  376   HD13  LEU  48          HD13      LEU  48  -5.246  -5.122   1.333
  377   HD21  LEU  48          HD21      LEU  48  -5.156  -2.844  -2.004
  378   HD22  LEU  48          HD22      LEU  48  -4.118  -4.257  -1.822
  379   HD23  LEU  48          HD23      LEU  48  -3.503  -2.653  -1.425
  380    H    GLU  49           H        GLU  49  -8.948  -4.293   1.225
  381    HA   GLU  49           HA       GLU  49  -7.993  -6.591   2.623
  382    HB2  GLU  49           HB3      GLU  49 -10.703  -5.256   2.494
  383    HB3  GLU  49           HB2      GLU  49 -10.349  -6.597   3.568
  384    HG2  GLU  49           HG3      GLU  49 -10.035  -4.051   4.335
  385    HG3  GLU  49           HG2      GLU  49  -9.001  -5.343   4.916
  386    H    ASP  50           H        ASP  50 -10.389  -6.209   0.024
  387    HA   ASP  50           HA       ASP  50 -11.388  -8.875   0.050
  388    HB2  ASP  50           HB3      ASP  50 -12.362  -6.926  -1.214
  389    HB3  ASP  50           HB2      ASP  50 -11.060  -7.123  -2.385
  390    H    ARG  51           H        ARG  51  -8.551  -7.482  -1.551
  391    HA   ARG  51           HA       ARG  51  -7.904  -9.657  -3.228
  392    HB2  ARG  51           HB3      ARG  51  -6.137  -7.667  -1.815
  393    HB3  ARG  51           HB2      ARG  51  -5.548  -8.792  -3.030
  394    HG2  ARG  51           HG3      ARG  51  -7.806  -6.828  -3.499
  395    HG3  ARG  51           HG2      ARG  51  -6.129  -6.521  -3.948
  396    HD2  ARG  51           HD3      ARG  51  -6.385  -8.894  -5.137
  397    HD3  ARG  51           HD2      ARG  51  -8.090  -8.443  -5.135
  398    HE   ARG  51           HE       ARG  51  -6.883  -6.194  -6.143
  399   HH11  ARG  51          HH22      ARG  51  -6.693  -9.573  -6.805
  400   HH12  ARG  51          HH21      ARG  51  -6.321  -9.360  -8.484
  401   HH21  ARG  51          HH11      ARG  51  -6.395  -5.897  -8.336
  402   HH22  ARG  51          HH12      ARG  51  -6.154  -7.280  -9.350
  403    H    PHE  52           H        PHE  52  -7.184  -9.195   0.227
  404    HA   PHE  52           HA       PHE  52  -5.709 -11.762   0.213
  405    HB2  PHE  52           HB3      PHE  52  -6.087  -9.610   2.306
  406    HB3  PHE  52           HB2      PHE  52  -5.256 -11.131   2.622
  407    HD1  PHE  52           HD2      PHE  52  -5.141  -7.949   0.771
  408    HD2  PHE  52           HD1      PHE  52  -3.111 -11.648   1.574
  409    HE1  PHE  52           HE2      PHE  52  -3.079  -7.044  -0.269
  410    HE2  PHE  52           HE1      PHE  52  -1.050 -10.744   0.533
  411    HZ   PHE  52           HZ       PHE  52  -1.034  -8.442  -0.388
  412    H    GLY  53           H        GLY  53  -8.880 -10.738   0.634
  413    HA2  GLY  53           HA3      GLY  53 -10.763 -11.980   1.311
  414    HA3  GLY  53           HA2      GLY  53  -9.683 -13.343   1.624
  415    H    ILE  54           H        ILE  54  -9.154 -10.175   3.006
  416    HA   ILE  54           HA       ILE  54  -9.745 -11.338   5.688
  417    HB   ILE  54           HB       ILE  54  -8.092  -9.749   6.558
  418   HG12  ILE  54          HG13      ILE  54  -7.859  -8.909   3.652
  419   HG13  ILE  54          HG12      ILE  54  -8.477  -7.921   4.976
  420   HG21  ILE  54          HG21      ILE  54  -7.019 -11.202   4.123
  421   HG22  ILE  54          HG22      ILE  54  -7.352 -11.972   5.674
  422   HG23  ILE  54          HG23      ILE  54  -6.103 -10.733   5.554
  423   HD11  ILE  54          HD11      ILE  54  -6.163  -7.305   4.555
  424   HD12  ILE  54          HD12      ILE  54  -5.658  -8.989   4.681
  425   HD13  ILE  54          HD13      ILE  54  -6.255  -8.139   6.106
  426    H    ALA  55           H        ALA  55 -10.780  -9.922   7.248
  427    HA   ALA  55           HA       ALA  55 -12.571  -7.958   5.936
  428    HB1  ALA  55           HB1      ALA  55 -12.819  -8.472   8.846
  429    HB2  ALA  55           HB2      ALA  55 -13.098  -9.865   7.801
  430    HB3  ALA  55           HB3      ALA  55 -14.070  -8.405   7.603
  431    H    ALA  56           H        ALA  56 -12.278  -5.785   6.179
  432    HA   ALA  56           HA       ALA  56  -9.926  -4.738   7.434
  433    HB1  ALA  56           HB1      ALA  56 -12.001  -2.741   7.210
  434    HB2  ALA  56           HB2      ALA  56 -11.981  -3.753   5.766
  435    HB3  ALA  56           HB3      ALA  56 -10.518  -2.906   6.270
  436    H    ASP  57           H        ASP  57 -13.230  -5.192   8.553
  437    HA   ASP  57           HA       ASP  57 -13.186  -3.545  10.848
  438    HB2  ASP  57           HB3      ASP  57 -14.572  -6.179  10.343
  439    HB3  ASP  57           HB2      ASP  57 -14.895  -5.157  11.738
  440    H    ASP  58           H        ASP  58 -11.876  -6.780  10.324
  441    HA   ASP  58           HA       ASP  58 -11.388  -7.560  12.977
  442    HB2  ASP  58           HB3      ASP  58  -9.718  -8.004  10.501
  443    HB3  ASP  58           HB2      ASP  58  -9.427  -8.824  12.033
  444    H    VAL  59           H        VAL  59  -9.520  -5.352  10.930
  445    HA   VAL  59           HA       VAL  59  -8.055  -4.496  13.390
  446    HB   VAL  59           HB       VAL  59  -6.597  -5.952  11.972
  447   HG11  VAL  59          HG11      VAL  59  -6.310  -3.861   9.909
  448   HG12  VAL  59          HG12      VAL  59  -7.849  -4.722   9.867
  449   HG13  VAL  59          HG13      VAL  59  -6.333  -5.616   9.737
  450   HG21  VAL  59          HG21      VAL  59  -4.953  -4.667  12.819
  451   HG22  VAL  59          HG22      VAL  59  -6.074  -3.312  12.956
  452   HG23  VAL  59          HG23      VAL  59  -5.147  -3.544  11.474
  453    H    GLU  60           H        GLU  60  -7.722  -2.263  13.533
  454    HA   GLU  60           HA       GLU  60  -9.149  -0.653  11.475
  455    HB2  GLU  60           HB3      GLU  60  -9.794  -0.406  13.887
  456    HB3  GLU  60           HB2      GLU  60  -8.173   0.194  14.217
  457    HG2  GLU  60           HG3      GLU  60  -8.542   1.999  12.550
  458    HG3  GLU  60           HG2      GLU  60 -10.195   1.431  12.344
  459    H    LEU  61           H        LEU  61  -7.986   0.603  10.093
  460    HA   LEU  61           HA       LEU  61  -5.075   0.902  10.606
  461    HB2  LEU  61           HB3      LEU  61  -6.626   1.269   8.030
  462    HB3  LEU  61           HB2      LEU  61  -4.879   1.236   8.208
  463    HG   LEU  61           HG       LEU  61  -6.773  -1.048   8.762
  464   HD11  LEU  61          HD11      LEU  61  -4.715  -0.497   6.616
  465   HD12  LEU  61          HD12      LEU  61  -6.436  -0.817   6.403
  466   HD13  LEU  61          HD13      LEU  61  -5.356  -2.110   6.928
  467   HD21  LEU  61          HD21      LEU  61  -5.092  -1.412  10.332
  468   HD22  LEU  61          HD22      LEU  61  -3.867  -0.600   9.358
  469   HD23  LEU  61          HD23      LEU  61  -4.409  -2.221   8.922
  470    H    SER  62           H        SER  62  -4.141   2.983  10.578
  471    HA   SER  62           HA       SER  62  -6.081   5.211  10.768
  472    HB2  SER  62           HB3      SER  62  -4.728   5.823  12.473
  473    HB3  SER  62           HB2      SER  62  -3.572   4.562  12.057
  474    HG   SER  62           HG       SER  62  -2.693   5.978  10.511
  475    HA   PRO  63           HA       PRO  63  -5.149   6.783   6.762
  476    HB2  PRO  63           HB2      PRO  63  -4.758   9.492   7.401
  477    HB3  PRO  63           HB3      PRO  63  -6.306   8.725   7.013
  478    HG2  PRO  63           HG3      PRO  63  -5.146   9.421   9.645
  479    HG3  PRO  63           HG2      PRO  63  -6.838   9.390   9.124
  480    HD2  PRO  63           HD3      PRO  63  -5.788   7.462  10.712
  481    HD3  PRO  63           HD2      PRO  63  -7.060   7.112   9.519
  482    H    GLU  64           H        GLU  64  -2.954   7.428   9.403
  483    HA   GLU  64           HA       GLU  64  -0.812   8.538   7.820
  484    HB2  GLU  64           HB3      GLU  64  -0.734   7.142  10.499
  485    HB3  GLU  64           HB2      GLU  64   0.550   8.129   9.822
  486    HG2  GLU  64           HG3      GLU  64  -1.023  10.052   9.753
  487    HG3  GLU  64           HG2      GLU  64  -2.228   9.049  10.554
  488    H    HIS  65           H        HIS  65  -1.838   5.290   8.651
  489    HA   HIS  65           HA       HIS  65   0.618   3.996   7.955
  490    HB2  HIS  65           HB3      HIS  65  -1.133   2.802   9.196
  491    HB3  HIS  65           HB2      HIS  65  -2.214   2.930   7.805
  492    HD1  HIS  65           HD1      HIS  65   1.431   1.851   8.168
  493    HD2  HIS  65           HD2      HIS  65  -2.143   0.523   6.480
  494    HE1  HIS  65           HE1      HIS  65   1.964  -0.315   6.967
  495    HE2  HIS  65           HE2      HIS  65  -0.199  -1.119   5.919
  496    H    PHE  66           H        PHE  66  -1.891   5.432   6.088
  497    HA   PHE  66           HA       PHE  66  -1.169   3.974   3.649
  498    HB2  PHE  66           HB3      PHE  66  -3.015   6.352   4.002
  499    HB3  PHE  66           HB2      PHE  66  -2.908   5.314   2.583
  500    HD1  PHE  66           HD2      PHE  66  -3.606   5.213   6.250
  501    HD2  PHE  66           HD1      PHE  66  -4.211   3.361   2.426
  502    HE1  PHE  66           HE2      PHE  66  -5.232   3.641   7.270
  503    HE2  PHE  66           HE1      PHE  66  -5.834   1.789   3.448
  504    HZ   PHE  66           HZ       PHE  66  -6.342   1.934   5.868
  505    H    ARG  67           H        ARG  67   0.535   6.006   5.278
  506    HA   ARG  67           HA       ARG  67   1.084   8.307   3.779
  507    HB2  ARG  67           HB3      ARG  67   3.275   8.253   4.840
  508    HB3  ARG  67           HB2      ARG  67   2.063   7.722   5.998
  509    HG2  ARG  67           HG3      ARG  67   2.729   5.355   4.803
  510    HG3  ARG  67           HG2      ARG  67   4.270   6.207   4.763
  511    HD2  ARG  67           HD3      ARG  67   3.700   6.776   7.264
  512    HD3  ARG  67           HD2      ARG  67   2.615   5.393   7.129
  513    HE   ARG  67           HE       ARG  67   5.030   4.448   6.147
  514   HH11  ARG  67          HH22      ARG  67   3.916   6.029   9.001
  515   HH12  ARG  67          HH21      ARG  67   5.081   5.273  10.036
  516   HH21  ARG  67          HH11      ARG  67   6.556   3.448   7.485
  517   HH22  ARG  67          HH12      ARG  67   6.576   3.813   9.177
  518    H    SER  68           H        SER  68   2.117   4.962   3.184
  519    HA   SER  68           HA       SER  68   2.903   5.777   0.456
  520    HB2  SER  68           HB3      SER  68   4.971   5.996   1.820
  521    HB3  SER  68           HB2      SER  68   4.816   4.306   2.292
  522    HG   SER  68           HG       SER  68   5.942   5.299   0.122
  523    H    ILE  69           H        ILE  69   2.924   4.012  -1.019
  524    HA   ILE  69           HA       ILE  69   1.056   1.939  -0.543
  525    HB   ILE  69           HB       ILE  69   3.287   1.719  -2.555
  526   HG12  ILE  69          HG13      ILE  69   1.315   3.074  -3.878
  527   HG13  ILE  69          HG12      ILE  69   1.236   3.824  -2.285
  528   HG21  ILE  69          HG21      ILE  69   0.354   0.984  -2.496
  529   HG22  ILE  69          HG22      ILE  69   1.728  -0.121  -2.500
  530   HG23  ILE  69          HG23      ILE  69   1.373   0.848  -3.929
  531   HD11  ILE  69          HD11      ILE  69   3.518   3.764  -4.233
  532   HD12  ILE  69          HD12      ILE  69   3.857   3.912  -2.510
  533   HD13  ILE  69          HD13      ILE  69   2.872   5.127  -3.321
  534    H    ARG  70           H        ARG  70   4.590   1.979  -0.354
  535    HA   ARG  70           HA       ARG  70   5.047  -0.787  -0.011
  536    HB2  ARG  70           HB3      ARG  70   7.145  -0.077   1.131
  537    HB3  ARG  70           HB2      ARG  70   6.865   0.806  -0.371
  538    HG2  ARG  70           HG3      ARG  70   5.662   2.547   1.123
  539    HG3  ARG  70           HG2      ARG  70   6.486   1.759   2.464
  540    HD2  ARG  70           HD3      ARG  70   7.964   2.750   0.017
  541    HD3  ARG  70           HD2      ARG  70   7.691   3.765   1.432
  542    HE   ARG  70           HE       ARG  70   8.896   1.179   2.069
  543   HH11  ARG  70          HH22      ARG  70   9.358   4.455   1.098
  544   HH12  ARG  70          HH21      ARG  70  10.981   4.543   1.699
  545   HH21  ARG  70          HH11      ARG  70  11.013   1.276   2.860
  546   HH22  ARG  70          HH12      ARG  70  11.917   2.744   2.697
  547    H    SER  71           H        SER  71   4.244   1.694   2.408
  548    HA   SER  71           HA       SER  71   4.538  -0.006   4.689
  549    HB2  SER  71           HB3      SER  71   3.377   1.709   5.892
  550    HB3  SER  71           HB2      SER  71   4.336   2.528   4.666
  551    HG   SER  71           HG       SER  71   1.666   2.491   5.013
  552    H    ILE  72           H        ILE  72   1.699   0.752   2.656
  553    HA   ILE  72           HA       ILE  72  -0.202  -0.696   4.187
  554    HB   ILE  72           HB       ILE  72  -0.133  -0.214   1.199
  555   HG12  ILE  72          HG13      ILE  72  -1.397   1.388   3.450
  556   HG13  ILE  72          HG12      ILE  72   0.064   1.849   2.576
  557   HG21  ILE  72          HG21      ILE  72  -1.755  -1.928   1.851
  558   HG22  ILE  72          HG22      ILE  72  -2.593  -0.444   1.400
  559   HG23  ILE  72          HG23      ILE  72  -2.397  -0.867   3.101
  560   HD11  ILE  72          HD11      ILE  72  -1.595   3.031   1.422
  561   HD12  ILE  72          HD12      ILE  72  -2.768   1.724   1.578
  562   HD13  ILE  72          HD13      ILE  72  -1.425   1.572   0.446
  563    H    ASP  73           H        ASP  73   1.754  -1.736   1.395
  564    HA   ASP  73           HA       ASP  73   0.733  -4.387   1.261
  565    HB2  ASP  73           HB3      ASP  73   2.279  -3.148  -0.389
  566    HB3  ASP  73           HB2      ASP  73   3.599  -3.656   0.658
  567    H    ALA  74           H        ALA  74   3.339  -2.982   3.209
  568    HA   ALA  74           HA       ALA  74   4.323  -5.478   4.221
  569    HB1  ALA  74           HB1      ALA  74   5.066  -2.808   4.390
  570    HB2  ALA  74           HB2      ALA  74   5.860  -4.156   5.207
  571    HB3  ALA  74           HB3      ALA  74   4.622  -3.222   6.047
  572    H    PHE  75           H        PHE  75   2.028  -3.107   5.597
  573    HA   PHE  75           HA       PHE  75   1.577  -4.621   7.995
  574    HB2  PHE  75           HB3      PHE  75   0.979  -2.224   7.712
  575    HB3  PHE  75           HB2      PHE  75  -0.335  -2.707   6.649
  576    HD1  PHE  75           HD2      PHE  75   0.921  -2.720  10.107
  577    HD2  PHE  75           HD1      PHE  75  -2.297  -3.886   7.513
  578    HE1  PHE  75           HE2      PHE  75  -0.509  -3.164  12.082
  579    HE2  PHE  75           HE1      PHE  75  -3.728  -4.332   9.489
  580    HZ   PHE  75           HZ       PHE  75  -2.834  -3.971  11.774
  581    H    VAL  76           H        VAL  76  -0.148  -4.490   4.885
  582    HA   VAL  76           HA       VAL  76  -2.215  -6.321   5.579
  583    HB   VAL  76           HB       VAL  76  -0.894  -5.678   2.930
  584   HG11  VAL  76          HG11      VAL  76  -3.314  -6.694   2.276
  585   HG12  VAL  76          HG12      VAL  76  -2.943  -7.678   3.691
  586   HG13  VAL  76          HG13      VAL  76  -1.840  -7.660   2.317
  587   HG21  VAL  76          HG21      VAL  76  -2.581  -4.111   2.654
  588   HG22  VAL  76          HG22      VAL  76  -2.403  -4.046   4.407
  589   HG23  VAL  76          HG23      VAL  76  -3.708  -4.989   3.687
  590    H    VAL  77           H        VAL  77   1.008  -6.865   4.116
  591    HA   VAL  77           HA       VAL  77   0.699  -9.726   3.960
  592    HB   VAL  77           HB       VAL  77   3.125  -7.914   3.979
  593   HG11  VAL  77          HG11      VAL  77   4.137  -9.870   4.638
  594   HG12  VAL  77          HG12      VAL  77   4.059 -10.174   2.903
  595   HG13  VAL  77          HG13      VAL  77   2.853 -10.880   3.977
  596   HG21  VAL  77          HG21      VAL  77   1.494  -7.853   2.035
  597   HG22  VAL  77          HG22      VAL  77   1.895  -9.545   1.741
  598   HG23  VAL  77          HG23      VAL  77   3.142  -8.306   1.601
  599    H    GLY  78           H        GLY  78   2.116  -7.510   6.337
  600    HA2  GLY  78           HA3      GLY  78   3.208  -9.453   8.096
  601    HA3  GLY  78           HA2      GLY  78   2.697  -7.837   8.578
  602    H    ALA  79           H        ALA  79  -0.091  -8.363   7.623
  603    HA   ALA  79           HA       ALA  79  -1.151  -9.331  10.110
  604    HB1  ALA  79           HB1      ALA  79  -3.267  -8.896   9.201
  605    HB2  ALA  79           HB2      ALA  79  -2.750  -9.298   7.563
  606    HB3  ALA  79           HB3      ALA  79  -2.235  -7.782   8.303
  607    H    THR  80           H        THR  80  -0.638 -10.866   6.956
  608    HA   THR  80           HA       THR  80  -1.928 -13.348   7.836
  609    HB   THR  80           HB       THR  80  -1.338 -14.201   5.640
  610    HG1  THR  80           HG1      THR  80   0.782 -13.161   5.705
  611   HG21  THR  80          HG21      THR  80  -2.693 -12.796   4.386
  612   HG22  THR  80          HG22      THR  80  -1.967 -11.333   5.051
  613   HG23  THR  80          HG23      THR  80  -3.105 -12.269   6.018
  614    H    THR  81           H        THR  81   1.313 -12.039   7.573
  615    HA   THR  81           HA       THR  81   2.313 -14.497   8.908
  616    HB   THR  81           HB       THR  81   4.477 -13.700   7.479
  617    HG1  THR  81           HG1      THR  81   3.808 -12.402   5.991
  618   HG21  THR  81          HG21      THR  81   3.551 -15.983   7.621
  619   HG22  THR  81          HG22      THR  81   3.938 -15.556   5.955
  620   HG23  THR  81          HG23      THR  81   2.264 -15.521   6.507
  621    HA   PRO  82           HA       PRO  82   4.110 -11.694  11.817
  622    HB2  PRO  82           HB2      PRO  82   6.454 -13.019  12.432
  623    HB3  PRO  82           HB3      PRO  82   4.863 -13.444  13.088
  624    HG2  PRO  82           HG3      PRO  82   6.396 -14.702  10.876
  625    HG3  PRO  82           HG2      PRO  82   5.364 -15.448  12.106
  626    HD2  PRO  82           HD3      PRO  82   4.538 -15.058   9.534
  627    HD3  PRO  82           HD2      PRO  82   3.419 -15.047  10.916
  628    HA   PRO  83           HA       PRO  83   6.944  -9.640   8.883
  629    HB2  PRO  83           HB2      PRO  83   6.617  -7.103   9.815
  630    HB3  PRO  83           HB3      PRO  83   5.475  -7.895   8.717
  631    HG2  PRO  83           HG3      PRO  83   5.274  -7.405  11.629
  632    HG3  PRO  83           HG2      PRO  83   4.003  -7.446  10.399
  633    HD2  PRO  83           HD3      PRO  83   4.570  -9.510  12.184
  634    HD3  PRO  83           HD2      PRO  83   3.657  -9.694  10.671
  635    H    VAL  84           H        VAL  84   9.017  -8.706   9.036
  636    HA   VAL  84           HA       VAL  84  10.240  -8.865  11.755
  637    HB   VAL  84           HB       VAL  84  12.391  -9.044  10.560
  638   HG11  VAL  84          HG11      VAL  84  10.142 -10.895   9.781
  639   HG12  VAL  84          HG12      VAL  84  11.433 -11.163  10.952
  640   HG13  VAL  84          HG13      VAL  84  11.790 -11.190   9.225
  641   HG21  VAL  84          HG21      VAL  84  12.312  -9.291   8.054
  642   HG22  VAL  84          HG22      VAL  84  11.915  -7.668   8.619
  643   HG23  VAL  84          HG23      VAL  84  10.631  -8.763   8.106
  644    H    GLU  85           H        GLU  85  11.104  -7.007  12.661
  645    HA   GLU  85           HA       GLU  85  11.246  -4.661  12.948
  646    HB2  GLU  85           HB3      GLU  85  12.582  -5.027  10.246
  647    HB3  GLU  85           HB2      GLU  85  12.753  -3.609  11.280
  648    HG2  GLU  85           HG3      GLU  85  13.669  -5.061  13.079
  649    HG3  GLU  85           HG2      GLU  85  13.564  -6.444  11.989
  650    H    ALA  86           H        ALA  86   8.786  -4.699  12.563
  651    HA   ALA  86           HA       ALA  86   7.506  -4.148  10.154
  652    HB1  ALA  86           HB1      ALA  86   6.980  -3.342  12.989
  653    HB2  ALA  86           HB2      ALA  86   6.019  -4.364  11.919
  654    HB3  ALA  86           HB3      ALA  86   6.007  -2.612  11.712
  655    H    LYS  87           H        LYS  87   7.014  -2.243   8.997
  656    HA   LYS  87           HA       LYS  87   9.064  -0.314   8.714
  657    HB2  LYS  87           HB3      LYS  87   7.261  -0.806   7.034
  658    HB3  LYS  87           HB2      LYS  87   6.125   0.064   8.063
  659    HG2  LYS  87           HG3      LYS  87   7.584   2.086   7.896
  660    HG3  LYS  87           HG2      LYS  87   8.616   1.208   6.766
  661    HD2  LYS  87           HD3      LYS  87   6.589   0.839   5.315
  662    HD3  LYS  87           HD2      LYS  87   5.692   1.908   6.392
  663    HE2  LYS  87           HE3      LYS  87   6.543   3.142   4.428
  664    HE3  LYS  87           HE2      LYS  87   7.284   3.732   5.916
  665    HZ1  LYS  87           HZ1      LYS  87   8.877   1.656   5.060
  666    HZ2  LYS  87           HZ2      LYS  87   9.235   3.313   4.985
  667    HZ3  LYS  87           HZ3      LYS  87   8.514   2.539   3.655
  668    H    LEU  88           H        LEU  88   6.135  -0.289  10.703
  669    HA   LEU  88           HA       LEU  88   6.880   2.397  11.747
  670    HB2  LEU  88           HB3      LEU  88   4.512   1.972  11.030
  671    HB3  LEU  88           HB2      LEU  88   4.393   0.748  12.293
  672    HG   LEU  88           HG       LEU  88   5.053   2.527  13.963
  673   HD11  LEU  88          HD11      LEU  88   4.216   4.834  12.613
  674   HD12  LEU  88          HD12      LEU  88   5.313   4.038  11.486
  675   HD13  LEU  88          HD13      LEU  88   5.864   4.452  13.108
  676   HD21  LEU  88          HD21      LEU  88   2.785   2.148  14.096
  677   HD22  LEU  88          HD22      LEU  88   2.527   2.459  12.379
  678   HD23  LEU  88          HD23      LEU  88   2.737   3.806  13.497
  679    H    GLN  89           H        GLN  89   7.793   2.586  13.750
  680    HA   GLN  89           HA       GLN  89   8.472   0.170  15.233
  681    HB2  GLN  89           HB3      GLN  89   9.635   1.688  16.758
  682    HB3  GLN  89           HB2      GLN  89   9.994   2.142  15.092
  683    HG2  GLN  89           HG3      GLN  89   8.212   3.873  15.202
  684    HG3  GLN  89           HG2      GLN  89   7.936   3.452  16.893
  685   HE21  GLN  89          HE22      GLN  89   9.417   4.261  18.464
  686   HE22  GLN  89          HE21      GLN  89  10.734   5.258  18.072
  Start of MODEL   20
    1    H1   SER  -1           H1       SER  -1  13.861  -5.395  -1.440
    2    H2   SER  -1           H2       SER  -1  14.954  -4.409  -2.289
    3    H3   SER  -1           H3       SER  -1  14.248  -5.753  -3.052
    4    HA   SER  -1           HA       SER  -1  12.810  -3.325  -2.126
    5    HB2  SER  -1           HB3      SER  -1  13.686  -2.555  -4.094
    6    HB3  SER  -1           HB2      SER  -1  14.030  -4.176  -4.690
    7    HG   SER  -1           HG       SER  -1  12.126  -2.690  -5.504
    8    H    GLU   0           H        GLU   0  10.621  -3.421  -3.549
    9    HA   GLU   0           HA       GLU   0   8.510  -4.451  -3.625
   10    HB2  GLU   0           HB3      GLU   0   9.713  -5.614  -5.492
   11    HB3  GLU   0           HB2      GLU   0  10.171  -6.882  -4.354
   12    HG2  GLU   0           HG3      GLU   0   7.755  -7.277  -3.875
   13    HG3  GLU   0           HG2      GLU   0   7.345  -6.082  -5.105
   14    H    MET   1           H        MET   1   7.669  -4.586  -1.572
   15    HA   MET   1           HA       MET   1   8.711  -6.089   0.594
   16    HB2  MET   1           HB3      MET   1   5.854  -5.261  -0.049
   17    HB3  MET   1           HB2      MET   1   6.376  -5.895   1.517
   18    HG2  MET   1           HG3      MET   1   7.499  -3.415   0.180
   19    HG3  MET   1           HG2      MET   1   6.331  -3.416   1.498
   20    HE1  MET   1           HE1      MET   1   7.958  -4.629   4.516
   21    HE2  MET   1           HE2      MET   1   7.686  -5.999   3.430
   22    HE3  MET   1           HE3      MET   1   6.535  -4.665   3.478
   23    H    GLN   2           H        GLN   2   6.266  -6.922  -1.812
   24    HA   GLN   2           HA       GLN   2   6.889  -9.657  -2.087
   25    HB2  GLN   2           HB3      GLN   2   6.136  -9.872   0.293
   26    HB3  GLN   2           HB2      GLN   2   4.584  -9.171  -0.152
   27    HG2  GLN   2           HG3      GLN   2   4.316 -11.564  -0.128
   28    HG3  GLN   2           HG2      GLN   2   4.318 -11.057  -1.817
   29   HE21  GLN   2          HE22      GLN   2   5.310 -12.852  -2.831
   30   HE22  GLN   2          HE21      GLN   2   6.849 -13.439  -2.417
   31    H    HIS   3           H        HIS   3   3.657  -8.396  -1.440
   32    HA   HIS   3           HA       HIS   3   3.035  -8.619  -4.345
   33    HB2  HIS   3           HB3      HIS   3   1.210  -8.360  -1.923
   34    HB3  HIS   3           HB2      HIS   3   0.660  -8.492  -3.593
   35    HD1  HIS   3           HD1      HIS   3   2.156 -10.488  -0.797
   36    HD2  HIS   3           HD2      HIS   3   0.978 -11.091  -4.753
   37    HE1  HIS   3           HE1      HIS   3   2.153 -12.995  -1.172
   38    HE2  HIS   3           HE2      HIS   3   1.437 -13.372  -3.576
   39    H    ALA   4           H        ALA   4   4.460  -6.491  -2.610
   40    HA   ALA   4           HA       ALA   4   2.984  -4.140  -2.344
   41    HB1  ALA   4           HB1      ALA   4   5.532  -3.419  -3.390
   42    HB2  ALA   4           HB2      ALA   4   5.748  -4.873  -2.417
   43    HB3  ALA   4           HB3      ALA   4   5.016  -3.436  -1.703
   44    H    SER   5           H        SER   5   4.523  -5.461  -5.267
   45    HA   SER   5           HA       SER   5   4.084  -3.232  -6.975
   46    HB2  SER   5           HB3      SER   5   4.021  -6.164  -7.740
   47    HB3  SER   5           HB2      SER   5   4.330  -4.808  -8.820
   48    HG   SER   5           HG       SER   5   6.266  -5.788  -8.100
   49    H    VAL   6           H        VAL   6   1.961  -5.923  -6.076
   50    HA   VAL   6           HA       VAL   6  -0.127  -5.362  -7.942
   51    HB   VAL   6           HB       VAL   6  -0.168  -6.643  -5.210
   52   HG11  VAL   6          HG11      VAL   6  -2.360  -6.136  -7.209
   53   HG12  VAL   6          HG12      VAL   6  -2.391  -5.933  -5.457
   54   HG13  VAL   6          HG13      VAL   6  -2.421  -7.552  -6.157
   55   HG21  VAL   6          HG21      VAL   6   0.379  -8.547  -6.301
   56   HG22  VAL   6          HG22      VAL   6   0.774  -7.526  -7.683
   57   HG23  VAL   6          HG23      VAL   6  -0.828  -8.253  -7.552
   58    H    ILE   7           H        ILE   7   0.453  -4.212  -4.639
   59    HA   ILE   7           HA       ILE   7  -1.934  -2.697  -4.331
   60    HB   ILE   7           HB       ILE   7   0.834  -2.086  -3.257
   61   HG12  ILE   7          HG13      ILE   7  -1.424  -3.649  -1.967
   62   HG13  ILE   7          HG12      ILE   7  -0.061  -4.408  -2.792
   63   HG21  ILE   7          HG21      ILE   7  -1.924  -1.303  -2.263
   64   HG22  ILE   7          HG22      ILE   7  -0.776  -0.219  -3.048
   65   HG23  ILE   7          HG23      ILE   7  -0.397  -0.915  -1.472
   66   HD11  ILE   7          HD11      ILE   7   1.338  -2.805  -1.184
   67   HD12  ILE   7          HD12      ILE   7   0.769  -4.381  -0.640
   68   HD13  ILE   7          HD13      ILE   7  -0.120  -2.923  -0.200
   69    H    ALA   8           H        ALA   8   1.215  -1.848  -5.735
   70    HA   ALA   8           HA       ALA   8   0.646   0.905  -6.213
   71    HB1  ALA   8           HB1      ALA   8   2.853  -0.591  -6.489
   72    HB2  ALA   8           HB2      ALA   8   2.647   0.935  -7.353
   73    HB3  ALA   8           HB3      ALA   8   2.323  -0.594  -8.172
   74    H    GLN   9           H        GLN   9   0.002  -2.010  -8.152
   75    HA   GLN   9           HA       GLN   9  -0.882  -0.657 -10.506
   76    HB2  GLN   9           HB3      GLN   9  -1.726  -3.335  -9.364
   77    HB3  GLN   9           HB2      GLN   9  -2.124  -2.772 -10.987
   78    HG2  GLN   9           HG3      GLN   9   0.313  -2.525 -11.459
   79    HG3  GLN   9           HG2      GLN   9   0.660  -3.210  -9.871
   80   HE21  GLN   9          HE22      GLN   9   0.423  -5.492  -9.597
   81   HE22  GLN   9          HE21      GLN   9   0.027  -6.539 -10.872
   82    H    PHE  10           H        PHE  10  -2.644  -1.688  -7.589
   83    HA   PHE  10           HA       PHE  10  -5.238  -0.894  -8.492
   84    HB2  PHE  10           HB3      PHE  10  -4.000  -1.231  -5.771
   85    HB3  PHE  10           HB2      PHE  10  -5.628  -0.573  -5.930
   86    HD1  PHE  10           HD1      PHE  10  -7.366  -1.909  -7.220
   87    HD2  PHE  10           HD2      PHE  10  -3.603  -3.566  -5.975
   88    HE1  PHE  10           HE1      PHE  10  -8.279  -4.196  -7.506
   89    HE2  PHE  10           HE2      PHE  10  -4.517  -5.854  -6.264
   90    HZ   PHE  10           HZ       PHE  10  -6.854  -6.168  -7.026
   91    H    VAL  11           H        VAL  11  -2.694   0.889  -6.781
   92    HA   VAL  11           HA       VAL  11  -4.147   3.307  -6.380
   93    HB   VAL  11           HB       VAL  11  -1.198   2.748  -6.758
   94   HG11  VAL  11          HG11      VAL  11  -1.080   4.971  -7.252
   95   HG12  VAL  11          HG12      VAL  11  -1.301   5.166  -5.512
   96   HG13  VAL  11          HG13      VAL  11  -2.684   5.303  -6.598
   97   HG21  VAL  11          HG21      VAL  11  -2.619   3.682  -4.269
   98   HG22  VAL  11          HG22      VAL  11  -1.084   2.825  -4.406
   99   HG23  VAL  11          HG23      VAL  11  -2.599   1.973  -4.704
  100    H    VAL  12           H        VAL  12  -2.062   2.258  -9.065
  101    HA   VAL  12           HA       VAL  12  -2.289   4.648 -10.608
  102    HB   VAL  12           HB       VAL  12  -1.825   1.781 -11.451
  103   HG11  VAL  12          HG11      VAL  12  -2.573   3.171 -13.352
  104   HG12  VAL  12          HG12      VAL  12  -0.874   2.739 -13.505
  105   HG13  VAL  12          HG13      VAL  12  -1.323   4.356 -12.968
  106   HG21  VAL  12          HG21      VAL  12   0.533   3.175 -11.704
  107   HG22  VAL  12          HG22      VAL  12   0.111   2.154 -10.330
  108   HG23  VAL  12          HG23      VAL  12  -0.168   3.894 -10.255
  109    H    GLU  13           H        GLU  13  -4.147   1.609 -10.712
  110    HA   GLU  13           HA       GLU  13  -5.929   2.543 -12.785
  111    HB2  GLU  13           HB3      GLU  13  -6.234   0.281 -10.802
  112    HB3  GLU  13           HB2      GLU  13  -7.210   0.513 -12.247
  113    HG2  GLU  13           HG3      GLU  13  -5.140   0.396 -13.623
  114    HG3  GLU  13           HG2      GLU  13  -4.230   0.042 -12.159
  115    H    GLU  14           H        GLU  14  -5.763   3.063  -9.399
  116    HA   GLU  14           HA       GLU  14  -8.537   3.330  -8.788
  117    HB2  GLU  14           HB3      GLU  14  -6.677   3.250  -7.104
  118    HB3  GLU  14           HB2      GLU  14  -6.252   4.898  -7.566
  119    HG2  GLU  14           HG3      GLU  14  -8.574   5.617  -6.985
  120    HG3  GLU  14           HG2      GLU  14  -8.904   3.980  -6.416
  121    H    PHE  15           H        PHE  15  -6.258   5.570 -10.306
  122    HA   PHE  15           HA       PHE  15  -8.563   7.259 -11.048
  123    HB2  PHE  15           HB3      PHE  15  -7.726   8.139  -8.850
  124    HB3  PHE  15           HB2      PHE  15  -6.172   8.454  -9.622
  125    HD1  PHE  15           HD2      PHE  15  -9.801   9.278  -9.742
  126    HD2  PHE  15           HD1      PHE  15  -5.843  10.364 -11.008
  127    HE1  PHE  15           HE2      PHE  15 -10.672  11.427 -10.620
  128    HE2  PHE  15           HE1      PHE  15  -6.713  12.512 -11.887
  129    HZ   PHE  15           HZ       PHE  15  -9.128  13.045 -11.693
  130    H    LEU  16           H        LEU  16  -5.166   6.418 -11.398
  131    HA   LEU  16           HA       LEU  16  -5.180   7.792 -14.058
  132    HB2  LEU  16           HB3      LEU  16  -3.153   7.640 -11.891
  133    HB3  LEU  16           HB2      LEU  16  -2.557   7.538 -13.546
  134    HG   LEU  16           HG       LEU  16  -4.522   9.669 -12.732
  135   HD11  LEU  16          HD11      LEU  16  -2.647  11.174 -12.296
  136   HD12  LEU  16          HD12      LEU  16  -1.497   9.882 -12.638
  137   HD13  LEU  16          HD13      LEU  16  -2.541   9.782 -11.220
  138   HD21  LEU  16          HD21      LEU  16  -2.400  10.188 -14.712
  139   HD22  LEU  16          HD22      LEU  16  -4.132  10.502 -14.813
  140   HD23  LEU  16          HD23      LEU  16  -3.506   8.892 -15.167
  141    HA   PRO  17           HA       PRO  17  -4.535   3.255 -14.742
  142    HB2  PRO  17           HB2      PRO  17  -6.336   2.990 -16.778
  143    HB3  PRO  17           HB3      PRO  17  -6.774   2.852 -15.065
  144    HG2  PRO  17           HG3      PRO  17  -7.218   5.082 -16.954
  145    HG3  PRO  17           HG2      PRO  17  -8.195   4.549 -15.579
  146    HD2  PRO  17           HD3      PRO  17  -6.465   6.741 -15.577
  147    HD3  PRO  17           HD2      PRO  17  -7.098   5.932 -14.130
  148    H    ASP  18           H        ASP  18  -4.253   6.082 -16.677
  149    HA   ASP  18           HA       ASP  18  -3.046   4.632 -18.950
  150    HB2  ASP  18           HB3      ASP  18  -3.640   7.550 -18.458
  151    HB3  ASP  18           HB2      ASP  18  -2.860   6.945 -19.915
  152    H    VAL  19           H        VAL  19  -1.911   5.315 -16.025
  153    HA   VAL  19           HA       VAL  19   0.721   6.353 -16.999
  154    HB   VAL  19           HB       VAL  19  -0.361   6.258 -14.168
  155   HG11  VAL  19          HG11      VAL  19   1.754   6.728 -13.560
  156   HG12  VAL  19          HG12      VAL  19   1.716   8.170 -14.574
  157   HG13  VAL  19          HG13      VAL  19   2.267   6.636 -15.245
  158   HG21  VAL  19          HG21      VAL  19  -0.025   8.639 -16.016
  159   HG22  VAL  19          HG22      VAL  19  -0.744   8.638 -14.406
  160   HG23  VAL  19          HG23      VAL  19  -1.564   7.825 -15.738
  161    H    ALA  20           H        ALA  20   2.540   5.081 -16.740
  162    HA   ALA  20           HA       ALA  20   2.136   2.268 -16.106
  163    HB1  ALA  20           HB1      ALA  20   3.716   3.093 -17.866
  164    HB2  ALA  20           HB2      ALA  20   4.472   2.008 -16.698
  165    HB3  ALA  20           HB3      ALA  20   4.732   3.748 -16.581
  166    HA   PRO  21           HA       PRO  21   2.800   3.041 -11.659
  167    HB2  PRO  21           HB2      PRO  21   3.289   0.119 -11.597
  168    HB3  PRO  21           HB3      PRO  21   2.146   1.092 -10.652
  169    HG2  PRO  21           HG3      PRO  21   1.391  -0.526 -12.674
  170    HG3  PRO  21           HG2      PRO  21   0.517   0.946 -12.225
  171    HD2  PRO  21           HD3      PRO  21   2.225   0.434 -14.595
  172    HD3  PRO  21           HD2      PRO  21   0.909   1.606 -14.373
  173    H    ALA  22           H        ALA  22   4.933   1.304 -13.823
  174    HA   ALA  22           HA       ALA  22   7.150   0.961 -12.044
  175    HB1  ALA  22           HB1      ALA  22   6.748   0.027 -14.460
  176    HB2  ALA  22           HB2      ALA  22   8.394   0.395 -13.947
  177    HB3  ALA  22           HB3      ALA  22   7.517   1.528 -14.976
  178    H    ASP  23           H        ASP  23   5.895   3.730 -13.737
  179    HA   ASP  23           HA       ASP  23   8.353   5.300 -13.454
  180    HB2  ASP  23           HB3      ASP  23   6.697   5.675 -15.304
  181    HB3  ASP  23           HB2      ASP  23   5.546   6.251 -14.098
  182    H    VAL  24           H        VAL  24   6.233   4.186 -11.235
  183    HA   VAL  24           HA       VAL  24   6.279   6.698  -9.607
  184    HB   VAL  24           HB       VAL  24   4.657   4.205  -9.066
  185   HG11  VAL  24          HG11      VAL  24   4.068   7.044  -8.239
  186   HG12  VAL  24          HG12      VAL  24   5.149   6.023  -7.290
  187   HG13  VAL  24          HG13      VAL  24   3.468   5.545  -7.531
  188   HG21  VAL  24          HG21      VAL  24   2.750   5.513 -10.078
  189   HG22  VAL  24          HG22      VAL  24   3.970   5.016 -11.250
  190   HG23  VAL  24          HG23      VAL  24   3.934   6.681 -10.668
  191    H    ASP  25           H        ASP  25   7.500   6.704  -7.747
  192    HA   ASP  25           HA       ASP  25   9.093   4.284  -7.177
  193    HB2  ASP  25           HB3      ASP  25  10.113   6.589  -7.214
  194    HB3  ASP  25           HB2      ASP  25   9.151   6.979  -5.787
  195    H    VAL  26           H        VAL  26   8.321   2.811  -5.729
  196    HA   VAL  26           HA       VAL  26   6.059   3.421  -4.017
  197    HB   VAL  26           HB       VAL  26   6.363   1.128  -3.189
  198   HG11  VAL  26          HG11      VAL  26   5.724   1.874  -5.765
  199   HG12  VAL  26          HG12      VAL  26   5.506   0.257  -5.097
  200   HG13  VAL  26          HG13      VAL  26   6.957   0.641  -6.024
  201   HG21  VAL  26          HG21      VAL  26   8.810   1.106  -3.062
  202   HG22  VAL  26          HG22      VAL  26   8.920   1.221  -4.818
  203   HG23  VAL  26          HG23      VAL  26   8.254  -0.231  -4.068
  204    H    ASP  27           H        ASP  27   9.152   4.410  -3.775
  205    HA   ASP  27           HA       ASP  27   9.499   3.899  -0.888
  206    HB2  ASP  27           HB3      ASP  27  11.172   5.392  -2.929
  207    HB3  ASP  27           HB2      ASP  27  11.608   5.221  -1.232
  208    H    LEU  28           H        LEU  28   7.830   6.039  -2.808
  209    HA   LEU  28           HA       LEU  28   8.196   8.352  -0.982
  210    HB2  LEU  28           HB3      LEU  28   8.222   8.744  -3.439
  211    HB3  LEU  28           HB2      LEU  28   6.578   8.125  -3.538
  212    HG   LEU  28           HG       LEU  28   5.883   9.906  -1.898
  213   HD11  LEU  28          HD11      LEU  28   7.861  11.824  -2.212
  214   HD12  LEU  28          HD12      LEU  28   8.783  10.346  -1.937
  215   HD13  LEU  28          HD13      LEU  28   7.584  10.870  -0.755
  216   HD21  LEU  28          HD21      LEU  28   5.766  10.098  -4.449
  217   HD22  LEU  28          HD22      LEU  28   7.224  11.084  -4.341
  218   HD23  LEU  28          HD23      LEU  28   5.738  11.619  -3.556
  219    H    ASP  29           H        ASP  29   6.547   9.028   0.386
  220    HA   ASP  29           HA       ASP  29   4.615   7.134   1.230
  221    HB2  ASP  29           HB3      ASP  29   4.693  10.144   1.582
  222    HB3  ASP  29           HB2      ASP  29   3.556   9.088   2.421
  223    H    LEU  30           H        LEU  30   2.540   6.745   0.644
  224    HA   LEU  30           HA       LEU  30   1.636   7.535  -1.952
  225    HB2  LEU  30           HB3      LEU  30   1.010   5.498  -0.353
  226    HB3  LEU  30           HB2      LEU  30  -0.294   6.581   0.120
  227    HG   LEU  30           HG       LEU  30   0.344   5.701  -2.707
  228   HD11  LEU  30          HD11      LEU  30  -2.293   5.157  -1.508
  229   HD12  LEU  30          HD12      LEU  30  -0.957   4.294  -0.747
  230   HD13  LEU  30          HD13      LEU  30  -1.261   4.106  -2.474
  231   HD21  LEU  30          HD21      LEU  30  -2.024   6.822  -2.982
  232   HD22  LEU  30          HD22      LEU  30  -0.572   7.820  -3.005
  233   HD23  LEU  30          HD23      LEU  30  -1.548   7.716  -1.539
  234    H    VAL  31           H        VAL  31   0.811   8.671   1.311
  235    HA   VAL  31           HA       VAL  31  -1.371  10.333   0.533
  236    HB   VAL  31           HB       VAL  31   0.546  10.567   2.862
  237   HG11  VAL  31          HG11      VAL  31  -0.328  12.661   3.031
  238   HG12  VAL  31          HG12      VAL  31  -1.794  11.838   3.565
  239   HG13  VAL  31          HG13      VAL  31  -1.613  12.312   1.874
  240   HG21  VAL  31          HG21      VAL  31  -0.722   8.922   3.744
  241   HG22  VAL  31          HG22      VAL  31  -1.617   8.818   2.228
  242   HG23  VAL  31          HG23      VAL  31  -2.171   9.899   3.507
  243    H    ASP  32           H        ASP  32   2.118  10.963   0.606
  244    HA   ASP  32           HA       ASP  32   2.081  13.762   0.290
  245    HB2  ASP  32           HB3      ASP  32   3.915  11.698  -0.969
  246    HB3  ASP  32           HB2      ASP  32   4.209  13.436  -1.036
  247    H    ASN  33           H        ASN  33   1.411  11.196  -2.005
  248    HA   ASN  33           HA       ASN  33   1.294  12.876  -4.349
  249    HB2  ASN  33           HB3      ASN  33   0.135  10.168  -3.704
  250    HB3  ASN  33           HB2      ASN  33   0.022  10.913  -5.293
  251   HD21  ASN  33          HD22      ASN  33   1.452   8.466  -4.943
  252   HD22  ASN  33          HD21      ASN  33   3.106   8.763  -5.181
  253    H    GLY  34           H        GLY  34  -1.058  11.850  -1.921
  254    HA2  GLY  34           HA3      GLY  34  -3.102  12.951  -1.381
  255    HA3  GLY  34           HA2      GLY  34  -2.883  13.989  -2.793
  256    H    VAL  35           H        VAL  35  -2.326  10.827  -3.685
  257    HA   VAL  35           HA       VAL  35  -4.612  10.667  -5.380
  258    HB   VAL  35           HB       VAL  35  -2.765   8.504  -4.329
  259   HG11  VAL  35          HG11      VAL  35  -5.175   8.405  -6.066
  260   HG12  VAL  35          HG12      VAL  35  -4.479   7.155  -5.033
  261   HG13  VAL  35          HG13      VAL  35  -3.776   7.484  -6.617
  262   HG21  VAL  35          HG21      VAL  35  -2.821   9.403  -7.167
  263   HG22  VAL  35          HG22      VAL  35  -1.449   8.925  -6.168
  264   HG23  VAL  35          HG23      VAL  35  -2.147  10.535  -5.993
  265    H    ILE  36           H        ILE  36  -4.009   9.564  -2.088
  266    HA   ILE  36           HA       ILE  36  -6.576   8.143  -1.955
  267    HB   ILE  36           HB       ILE  36  -4.568   8.831   0.216
  268   HG12  ILE  36          HG13      ILE  36  -5.107   6.201  -1.193
  269   HG13  ILE  36          HG12      ILE  36  -3.781   7.283  -1.596
  270   HG21  ILE  36          HG21      ILE  36  -6.135   6.565   0.847
  271   HG22  ILE  36          HG22      ILE  36  -7.262   7.813   0.314
  272   HG23  ILE  36          HG23      ILE  36  -6.155   8.136   1.649
  273   HD11  ILE  36          HD11      ILE  36  -2.563   6.644   0.205
  274   HD12  ILE  36          HD12      ILE  36  -3.675   5.280   0.306
  275   HD13  ILE  36          HD13      ILE  36  -3.964   6.726   1.272
  276    H    ASP  37           H        ASP  37  -8.436   9.131  -1.502
  277    HA   ASP  37           HA       ASP  37  -8.394  11.688   0.043
  278    HB2  ASP  37           HB3      ASP  37  -8.862  11.949  -2.458
  279    HB3  ASP  37           HB2      ASP  37 -10.353  11.049  -2.177
  280    H    ALA  38           H        ALA  38 -11.266  11.879   0.142
  281    HA   ALA  38           HA       ALA  38 -11.798  10.091   2.331
  282    HB1  ALA  38           HB1      ALA  38 -14.010  11.041   2.356
  283    HB2  ALA  38           HB2      ALA  38 -13.866  11.562   0.677
  284    HB3  ALA  38           HB3      ALA  38 -12.903  12.346   1.930
  285    H    LEU  39           H        LEU  39 -13.174  10.228  -0.963
  286    HA   LEU  39           HA       LEU  39 -14.422   7.624  -0.727
  287    HB2  LEU  39           HB3      LEU  39 -13.701   9.152  -3.239
  288    HB3  LEU  39           HB2      LEU  39 -14.884   7.858  -3.104
  289    HG   LEU  39           HG       LEU  39 -15.035  10.593  -1.835
  290   HD11  LEU  39          HD11      LEU  39 -16.646  11.090  -3.398
  291   HD12  LEU  39          HD12      LEU  39 -17.185   9.414  -3.524
  292   HD13  LEU  39          HD13      LEU  39 -15.712   9.931  -4.345
  293   HD21  LEU  39          HD21      LEU  39 -17.375   9.622  -1.171
  294   HD22  LEU  39          HD22      LEU  39 -15.971   9.217  -0.184
  295   HD23  LEU  39          HD23      LEU  39 -16.583   8.058  -1.364
  296    H    GLY  40           H        GLY  40 -11.388   8.923  -1.886
  297    HA2  GLY  40           HA3      GLY  40 -10.383   6.623  -3.209
  298    HA3  GLY  40           HA2      GLY  40  -9.385   7.868  -2.451
  299    H    LEU  41           H        LEU  41 -10.335   7.605   0.195
  300    HA   LEU  41           HA       LEU  41  -8.726   5.425   1.137
  301    HB2  LEU  41           HB3      LEU  41  -9.054   7.354   2.549
  302    HB3  LEU  41           HB2      LEU  41 -10.804   7.154   2.505
  303    HG   LEU  41           HG       LEU  41  -9.288   4.786   3.430
  304   HD11  LEU  41          HD11      LEU  41  -9.263   5.959   5.779
  305   HD12  LEU  41          HD12      LEU  41  -9.210   7.445   4.830
  306   HD13  LEU  41          HD13      LEU  41  -7.932   6.242   4.657
  307   HD21  LEU  41          HD21      LEU  41 -11.200   4.443   4.718
  308   HD22  LEU  41          HD22      LEU  41 -11.880   5.360   3.374
  309   HD23  LEU  41          HD23      LEU  41 -11.513   6.168   4.897
  310    H    LEU  42           H        LEU  42 -12.242   5.890   0.895
  311    HA   LEU  42           HA       LEU  42 -13.005   3.404   2.034
  312    HB2  LEU  42           HB3      LEU  42 -14.697   5.059   1.686
  313    HB3  LEU  42           HB2      LEU  42 -14.324   5.176  -0.032
  314    HG   LEU  42           HG       LEU  42 -15.164   2.929  -0.422
  315   HD11  LEU  42          HD11      LEU  42 -15.141   2.839   2.564
  316   HD12  LEU  42          HD12      LEU  42 -14.693   1.594   1.397
  317   HD13  LEU  42          HD13      LEU  42 -16.393   1.930   1.718
  318   HD21  LEU  42          HD21      LEU  42 -16.758   5.070   0.697
  319   HD22  LEU  42          HD22      LEU  42 -17.487   3.505   1.056
  320   HD23  LEU  42          HD23      LEU  42 -17.152   3.959  -0.615
  321    H    LYS  43           H        LYS  43 -12.316   4.259  -1.357
  322    HA   LYS  43           HA       LYS  43 -12.913   1.691  -2.419
  323    HB2  LYS  43           HB3      LYS  43 -10.955   3.795  -3.361
  324    HB3  LYS  43           HB2      LYS  43 -11.415   2.385  -4.305
  325    HG2  LYS  43           HG3      LYS  43 -13.799   3.108  -4.156
  326    HG3  LYS  43           HG2      LYS  43 -13.269   4.571  -3.325
  327    HD2  LYS  43           HD3      LYS  43 -11.828   5.117  -5.295
  328    HD3  LYS  43           HD2      LYS  43 -12.503   3.717  -6.131
  329    HE2  LYS  43           HE3      LYS  43 -14.043   5.215  -6.887
  330    HE3  LYS  43           HE2      LYS  43 -14.784   4.965  -5.307
  331    HZ1  LYS  43           HZ1      LYS  43 -12.865   7.106  -6.048
  332    HZ2  LYS  43           HZ2      LYS  43 -13.432   6.830  -4.473
  333    HZ3  LYS  43           HZ3      LYS  43 -14.517   7.299  -5.695
  334    H    VAL  44           H        VAL  44 -10.004   2.992  -0.909
  335    HA   VAL  44           HA       VAL  44  -8.210   0.899  -1.612
  336    HB   VAL  44           HB       VAL  44  -8.306   2.739   0.783
  337   HG11  VAL  44          HG11      VAL  44  -6.387   0.562   0.007
  338   HG12  VAL  44          HG12      VAL  44  -6.968   1.014   1.609
  339   HG13  VAL  44          HG13      VAL  44  -5.768   2.015   0.791
  340   HG21  VAL  44          HG21      VAL  44  -7.884   3.473  -1.721
  341   HG22  VAL  44          HG22      VAL  44  -6.283   2.787  -1.437
  342   HG23  VAL  44          HG23      VAL  44  -6.866   4.115  -0.431
  343    H    ILE  45           H        ILE  45 -10.191   1.302   1.330
  344    HA   ILE  45           HA       ILE  45  -9.434  -1.224   2.461
  345    HB   ILE  45           HB       ILE  45 -11.778   0.622   2.942
  346   HG12  ILE  45          HG13      ILE  45 -10.436   0.729   5.204
  347   HG13  ILE  45          HG12      ILE  45  -9.099   0.132   4.225
  348   HG21  ILE  45          HG21      ILE  45 -12.591  -1.513   3.567
  349   HG22  ILE  45          HG22      ILE  45 -12.018  -0.781   5.064
  350   HG23  ILE  45          HG23      ILE  45 -11.035  -1.993   4.243
  351   HD11  ILE  45          HD11      ILE  45  -9.236   2.649   4.389
  352   HD12  ILE  45          HD12      ILE  45 -10.746   2.563   3.487
  353   HD13  ILE  45          HD13      ILE  45  -9.241   2.022   2.743
  354    H    ALA  46           H        ALA  46 -12.037  -0.274   0.259
  355    HA   ALA  46           HA       ALA  46 -13.602  -2.654   0.567
  356    HB1  ALA  46           HB1      ALA  46 -14.260  -1.922  -1.914
  357    HB2  ALA  46           HB2      ALA  46 -13.419  -0.451  -1.426
  358    HB3  ALA  46           HB3      ALA  46 -14.809  -1.020  -0.501
  359    H    TRP  47           H        TRP  47 -11.182  -1.825  -1.968
  360    HA   TRP  47           HA       TRP  47 -11.410  -4.522  -3.088
  361    HB2  TRP  47           HB3      TRP  47 -10.567  -3.474  -4.883
  362    HB3  TRP  47           HB2      TRP  47 -10.313  -2.016  -3.925
  363    HD1  TRP  47           HD1      TRP  47  -8.537  -5.405  -4.545
  364    HE1  TRP  47           HE1      TRP  47  -5.991  -4.999  -4.417
  365    HE3  TRP  47           HE3      TRP  47  -8.502  -0.459  -3.362
  366    HZ2  TRP  47           HZ2      TRP  47  -4.180  -2.847  -3.880
  367    HZ3  TRP  47           HZ3      TRP  47  -6.363   0.757  -3.045
  368    HH2  TRP  47           HH2      TRP  47  -4.203  -0.431  -3.304
  369    H    LEU  48           H        LEU  48  -8.977  -2.742  -1.201
  370    HA   LEU  48           HA       LEU  48  -7.003  -4.769  -1.166
  371    HB2  LEU  48           HB3      LEU  48  -6.693  -2.424  -0.346
  372    HB3  LEU  48           HB2      LEU  48  -7.665  -2.825   1.065
  373    HG   LEU  48           HG       LEU  48  -6.021  -4.701   1.521
  374   HD11  LEU  48          HD11      LEU  48  -3.752  -3.583   0.261
  375   HD12  LEU  48          HD12      LEU  48  -4.978  -3.739  -0.995
  376   HD13  LEU  48          HD13      LEU  48  -4.487  -5.152  -0.063
  377   HD21  LEU  48          HD21      LEU  48  -5.785  -1.851   1.931
  378   HD22  LEU  48          HD22      LEU  48  -4.183  -2.583   1.837
  379   HD23  LEU  48          HD23      LEU  48  -5.350  -3.165   3.025
  380    H    GLU  49           H        GLU  49  -9.797  -4.271   0.999
  381    HA   GLU  49           HA       GLU  49  -9.098  -6.497   2.707
  382    HB2  GLU  49           HB3      GLU  49 -11.115  -6.034   3.822
  383    HB3  GLU  49           HB2      GLU  49 -10.618  -4.466   3.216
  384    HG2  GLU  49           HG3      GLU  49 -12.054  -4.903   1.193
  385    HG3  GLU  49           HG2      GLU  49 -12.667  -6.317   2.026
  386    H    ASP  50           H        ASP  50 -11.196  -6.059  -0.111
  387    HA   ASP  50           HA       ASP  50 -12.519  -8.560  -0.047
  388    HB2  ASP  50           HB3      ASP  50 -13.041  -6.644  -1.576
  389    HB3  ASP  50           HB2      ASP  50 -11.615  -7.079  -2.516
  390    H    ARG  51           H        ARG  51  -9.335  -7.710  -1.359
  391    HA   ARG  51           HA       ARG  51  -8.829 -10.143  -2.718
  392    HB2  ARG  51           HB3      ARG  51  -6.948  -8.197  -1.392
  393    HB3  ARG  51           HB2      ARG  51  -6.413  -9.534  -2.402
  394    HG2  ARG  51           HG3      ARG  51  -7.852  -8.645  -4.250
  395    HG3  ARG  51           HG2      ARG  51  -8.209  -7.244  -3.238
  396    HD2  ARG  51           HD3      ARG  51  -6.374  -6.692  -4.745
  397    HD3  ARG  51           HD2      ARG  51  -5.762  -6.775  -3.092
  398    HE   ARG  51           HE       ARG  51  -5.533  -9.248  -4.691
  399   HH11  ARG  51          HH22      ARG  51  -4.120  -6.353  -3.445
  400   HH12  ARG  51          HH21      ARG  51  -2.493  -6.922  -3.615
  401   HH21  ARG  51          HH11      ARG  51  -3.417  -9.998  -4.917
  402   HH22  ARG  51          HH12      ARG  51  -2.096  -8.982  -4.447
  403    H    PHE  52           H        PHE  52  -8.276  -9.302   0.715
  404    HA   PHE  52           HA       PHE  52  -7.205 -12.036   1.122
  405    HB2  PHE  52           HB3      PHE  52  -7.273  -9.558   2.847
  406    HB3  PHE  52           HB2      PHE  52  -6.788 -11.133   3.472
  407    HD1  PHE  52           HD1      PHE  52  -5.924  -8.403   1.157
  408    HD2  PHE  52           HD2      PHE  52  -4.751 -12.238   2.697
  409    HE1  PHE  52           HE1      PHE  52  -3.673  -8.117   0.156
  410    HE2  PHE  52           HE2      PHE  52  -2.500 -11.951   1.699
  411    HZ   PHE  52           HZ       PHE  52  -1.961  -9.891   0.427
  412    H    GLY  53           H        GLY  53 -10.184 -10.482   1.247
  413    HA2  GLY  53           HA3      GLY  53 -12.263 -11.323   1.954
  414    HA3  GLY  53           HA2      GLY  53 -11.432 -12.797   2.456
  415    H    ILE  54           H        ILE  54 -10.458  -9.614   3.566
  416    HA   ILE  54           HA       ILE  54 -11.269 -10.448   6.309
  417    HB   ILE  54           HB       ILE  54  -9.559  -8.850   7.088
  418   HG12  ILE  54          HG13      ILE  54  -9.063  -8.436   4.121
  419   HG13  ILE  54          HG12      ILE  54  -9.770  -7.246   5.215
  420   HG21  ILE  54          HG21      ILE  54  -7.784 -10.138   5.266
  421   HG22  ILE  54          HG22      ILE  54  -9.112 -11.252   5.589
  422   HG23  ILE  54          HG23      ILE  54  -8.160 -10.604   6.925
  423   HD11  ILE  54          HD11      ILE  54  -7.696  -7.310   6.584
  424   HD12  ILE  54          HD12      ILE  54  -7.387  -6.785   4.928
  425   HD13  ILE  54          HD13      ILE  54  -6.991  -8.432   5.419
  426    H    ALA  55           H        ALA  55 -12.270  -8.848   7.696
  427    HA   ALA  55           HA       ALA  55 -13.803  -6.828   6.134
  428    HB1  ALA  55           HB1      ALA  55 -15.087  -8.469   7.492
  429    HB2  ALA  55           HB2      ALA  55 -15.352  -6.810   8.033
  430    HB3  ALA  55           HB3      ALA  55 -14.277  -7.874   8.941
  431    H    ALA  56           H        ALA  56 -13.615  -4.654   6.580
  432    HA   ALA  56           HA       ALA  56 -11.295  -3.719   7.994
  433    HB1  ALA  56           HB1      ALA  56 -12.886  -2.618   6.117
  434    HB2  ALA  56           HB2      ALA  56 -11.856  -1.650   7.173
  435    HB3  ALA  56           HB3      ALA  56 -13.567  -1.849   7.551
  436    H    ASP  57           H        ASP  57 -14.605  -4.309   8.952
  437    HA   ASP  57           HA       ASP  57 -14.702  -2.660  11.264
  438    HB2  ASP  57           HB3      ASP  57 -16.479  -4.182  12.053
  439    HB3  ASP  57           HB2      ASP  57 -16.695  -3.768  10.354
  440    H    ASP  58           H        ASP  58 -13.220  -5.818  10.751
  441    HA   ASP  58           HA       ASP  58 -12.843  -6.574  13.455
  442    HB2  ASP  58           HB3      ASP  58 -12.332  -7.972  11.412
  443    HB3  ASP  58           HB2      ASP  58 -10.858  -7.025  11.226
  444    H    VAL  59           H        VAL  59 -10.916  -4.437  11.382
  445    HA   VAL  59           HA       VAL  59  -9.600  -3.405  13.851
  446    HB   VAL  59           HB       VAL  59  -8.062  -5.002  12.691
  447   HG11  VAL  59          HG11      VAL  59  -9.081  -4.248  10.390
  448   HG12  VAL  59          HG12      VAL  59  -7.376  -4.690  10.478
  449   HG13  VAL  59          HG13      VAL  59  -7.845  -2.991  10.468
  450   HG21  VAL  59          HG21      VAL  59  -6.168  -3.612  12.902
  451   HG22  VAL  59          HG22      VAL  59  -7.367  -2.818  13.923
  452   HG23  VAL  59          HG23      VAL  59  -7.032  -2.193  12.308
  453    H    GLU  60           H        GLU  60  -9.218  -1.166  13.800
  454    HA   GLU  60           HA       GLU  60 -10.598   0.277  11.617
  455    HB2  GLU  60           HB3      GLU  60 -10.990   0.876  14.020
  456    HB3  GLU  60           HB2      GLU  60  -9.309   1.382  14.129
  457    HG2  GLU  60           HG3      GLU  60  -9.711   2.987  12.277
  458    HG3  GLU  60           HG2      GLU  60 -11.411   2.532  12.291
  459    H    LEU  61           H        LEU  61  -9.507   1.381  10.032
  460    HA   LEU  61           HA       LEU  61  -6.552   1.295  10.118
  461    HB2  LEU  61           HB3      LEU  61  -8.409   2.025   7.838
  462    HB3  LEU  61           HB2      LEU  61  -6.682   1.730   7.727
  463    HG   LEU  61           HG       LEU  61  -8.783  -0.283   8.532
  464   HD11  LEU  61          HD11      LEU  61  -7.161  -1.124   6.353
  465   HD12  LEU  61          HD12      LEU  61  -7.694   0.520   6.001
  466   HD13  LEU  61          HD13      LEU  61  -8.883  -0.741   6.332
  467   HD21  LEU  61          HD21      LEU  61  -5.783  -0.295   8.615
  468   HD22  LEU  61          HD22      LEU  61  -6.636  -1.796   8.259
  469   HD23  LEU  61          HD23      LEU  61  -6.930  -0.954   9.780
  470    H    SER  62           H        SER  62  -5.327   3.152  10.198
  471    HA   SER  62           HA       SER  62  -6.814   5.729  10.387
  472    HB2  SER  62           HB3      SER  62  -5.696   5.902  12.347
  473    HB3  SER  62           HB2      SER  62  -4.659   4.535  11.952
  474    HG   SER  62           HG       SER  62  -3.175   5.880  11.313
  475    HA   PRO  63           HA       PRO  63  -4.917   7.306   6.754
  476    HB2  PRO  63           HB2      PRO  63  -3.818   9.697   7.788
  477    HB3  PRO  63           HB3      PRO  63  -5.430   9.497   7.081
  478    HG2  PRO  63           HG3      PRO  63  -4.610   9.604   9.917
  479    HG3  PRO  63           HG2      PRO  63  -6.133  10.092   9.156
  480    HD2  PRO  63           HD3      PRO  63  -5.917   7.826  10.641
  481    HD3  PRO  63           HD2      PRO  63  -7.028   7.953   9.258
  482    H    GLU  64           H        GLU  64  -3.020   7.019   9.671
  483    HA   GLU  64           HA       GLU  64  -0.443   7.521   8.484
  484    HB2  GLU  64           HB3      GLU  64  -1.232   5.994  10.968
  485    HB3  GLU  64           HB2      GLU  64   0.417   6.422  10.545
  486    HG2  GLU  64           HG3      GLU  64  -0.238   8.811  10.531
  487    HG3  GLU  64           HG2      GLU  64  -1.855   8.345  11.046
  488    H    HIS  65           H        HIS  65  -2.550   4.745   8.703
  489    HA   HIS  65           HA       HIS  65  -0.584   2.739   8.143
  490    HB2  HIS  65           HB3      HIS  65  -2.542   1.752   8.844
  491    HB3  HIS  65           HB2      HIS  65  -3.552   2.934   8.023
  492    HD1  HIS  65           HD1      HIS  65  -2.510  -0.493   7.764
  493    HD2  HIS  65           HD2      HIS  65  -3.372   2.516   5.007
  494    HE1  HIS  65           HE1      HIS  65  -2.995  -1.650   5.559
  495    HE2  HIS  65           HE2      HIS  65  -3.506   0.173   3.875
  496    H    PHE  66           H        PHE  66  -2.010   5.188   6.235
  497    HA   PHE  66           HA       PHE  66  -1.306   3.816   3.704
  498    HB2  PHE  66           HB3      PHE  66  -2.591   6.536   4.078
  499    HB3  PHE  66           HB2      PHE  66  -2.544   5.569   2.603
  500    HD1  PHE  66           HD2      PHE  66  -3.736   5.462   6.148
  501    HD2  PHE  66           HD1      PHE  66  -4.280   4.050   2.128
  502    HE1  PHE  66           HE2      PHE  66  -5.824   4.310   6.835
  503    HE2  PHE  66           HE1      PHE  66  -6.366   2.899   2.816
  504    HZ   PHE  66           HZ       PHE  66  -7.133   3.033   5.171
  505    H    ARG  67           H        ARG  67   0.460   5.129   5.877
  506    HA   ARG  67           HA       ARG  67   1.732   7.441   5.016
  507    HB2  ARG  67           HB3      ARG  67   3.714   6.579   6.195
  508    HB3  ARG  67           HB2      ARG  67   2.246   6.247   7.110
  509    HG2  ARG  67           HG3      ARG  67   2.386   4.020   5.550
  510    HG3  ARG  67           HG2      ARG  67   4.096   4.372   5.769
  511    HD2  ARG  67           HD3      ARG  67   3.355   4.683   8.306
  512    HD3  ARG  67           HD2      ARG  67   2.036   3.630   7.804
  513    HE   ARG  67           HE       ARG  67   4.633   2.604   7.000
  514   HH11  ARG  67          HH22      ARG  67   2.318   2.929   9.535
  515   HH12  ARG  67          HH21      ARG  67   2.808   1.482  10.351
  516   HH21  ARG  67          HH11      ARG  67   5.280   0.708   8.046
  517   HH22  ARG  67          HH12      ARG  67   4.487   0.225   9.508
  518    H    SER  68           H        SER  68   2.243   4.123   3.792
  519    HA   SER  68           HA       SER  68   3.307   5.229   1.306
  520    HB2  SER  68           HB3      SER  68   5.311   5.319   2.740
  521    HB3  SER  68           HB2      SER  68   5.129   3.606   3.106
  522    HG   SER  68           HG       SER  68   5.630   3.107   1.042
  523    H    ILE  69           H        ILE  69   3.673   3.525  -0.316
  524    HA   ILE  69           HA       ILE  69   1.691   1.507  -0.320
  525    HB   ILE  69           HB       ILE  69   4.307   1.498  -1.857
  526   HG12  ILE  69          HG13      ILE  69   3.252   3.639  -2.202
  527   HG13  ILE  69          HG12      ILE  69   2.934   2.657  -3.626
  528   HG21  ILE  69          HG21      ILE  69   3.463  -0.352  -2.791
  529   HG22  ILE  69          HG22      ILE  69   2.092   0.598  -3.361
  530   HG23  ILE  69          HG23      ILE  69   2.011  -0.217  -1.800
  531   HD11  ILE  69          HD11      ILE  69   0.822   3.528  -3.167
  532   HD12  ILE  69          HD12      ILE  69   1.056   3.454  -1.421
  533   HD13  ILE  69          HD13      ILE  69   0.754   1.976  -2.338
  534    H    ARG  70           H        ARG  70   5.168   1.310   0.439
  535    HA   ARG  70           HA       ARG  70   5.293  -1.496   0.826
  536    HB2  ARG  70           HB3      ARG  70   7.244  -0.943   2.349
  537    HB3  ARG  70           HB2      ARG  70   7.339  -0.233   0.739
  538    HG2  ARG  70           HG3      ARG  70   5.889   1.588   2.372
  539    HG3  ARG  70           HG2      ARG  70   7.321   1.105   3.277
  540    HD2  ARG  70           HD3      ARG  70   7.403   2.015   0.392
  541    HD3  ARG  70           HD2      ARG  70   7.665   3.099   1.759
  542    HE   ARG  70           HE       ARG  70   9.559   1.124   0.753
  543   HH11  ARG  70          HH22      ARG  70   8.407   2.907   3.468
  544   HH12  ARG  70          HH21      ARG  70   9.912   2.836   4.322
  545   HH21  ARG  70          HH11      ARG  70  11.533   1.021   1.852
  546   HH22  ARG  70          HH12      ARG  70  11.682   1.768   3.407
  547    H    SER  71           H        SER  71   4.362   1.100   3.058
  548    HA   SER  71           HA       SER  71   4.153  -0.517   5.403
  549    HB2  SER  71           HB3      SER  71   4.101   1.957   5.451
  550    HB3  SER  71           HB2      SER  71   2.542   1.935   4.633
  551    HG   SER  71           HG       SER  71   2.041   0.413   6.533
  552    H    ILE  72           H        ILE  72   1.795   0.259   2.849
  553    HA   ILE  72           HA       ILE  72  -0.447  -1.007   4.038
  554    HB   ILE  72           HB       ILE  72   0.251  -0.721   1.102
  555   HG12  ILE  72          HG13      ILE  72  -1.414   1.061   2.909
  556   HG13  ILE  72          HG12      ILE  72   0.246   1.411   2.425
  557   HG21  ILE  72          HG21      ILE  72  -2.208  -0.848   0.803
  558   HG22  ILE  72          HG22      ILE  72  -2.382  -1.175   2.528
  559   HG23  ILE  72          HG23      ILE  72  -1.548  -2.332   1.491
  560   HD11  ILE  72          HD11      ILE  72  -0.456   2.243   0.458
  561   HD12  ILE  72          HD12      ILE  72  -2.121   2.027   1.000
  562   HD13  ILE  72          HD13      ILE  72  -1.315   0.746   0.095
  563    H    ASP  73           H        ASP  73   1.978  -2.301   1.745
  564    HA   ASP  73           HA       ASP  73   0.875  -4.922   1.575
  565    HB2  ASP  73           HB3      ASP  73   2.818  -3.840   0.214
  566    HB3  ASP  73           HB2      ASP  73   3.844  -4.397   1.534
  567    H    ALA  74           H        ALA  74   3.261  -3.528   3.808
  568    HA   ALA  74           HA       ALA  74   3.746  -5.959   5.254
  569    HB1  ALA  74           HB1      ALA  74   3.940  -3.231   6.507
  570    HB2  ALA  74           HB2      ALA  74   5.069  -3.708   5.239
  571    HB3  ALA  74           HB3      ALA  74   4.987  -4.631   6.740
  572    H    PHE  75           H        PHE  75   1.422  -3.317   5.701
  573    HA   PHE  75           HA       PHE  75   0.419  -4.165   8.232
  574    HB2  PHE  75           HB3      PHE  75  -0.104  -1.968   7.175
  575    HB3  PHE  75           HB2      PHE  75  -1.106  -2.815   6.000
  576    HD1  PHE  75           HD1      PHE  75  -0.730  -1.960   9.583
  577    HD2  PHE  75           HD2      PHE  75  -3.277  -3.682   6.583
  578    HE1  PHE  75           HE1      PHE  75  -2.626  -1.941  11.181
  579    HE2  PHE  75           HE2      PHE  75  -5.174  -3.662   8.181
  580    HZ   PHE  75           HZ       PHE  75  -4.847  -2.791  10.480
  581    H    VAL  76           H        VAL  76  -0.791  -4.857   4.937
  582    HA   VAL  76           HA       VAL  76  -2.799  -6.712   5.834
  583    HB   VAL  76           HB       VAL  76  -1.464  -6.290   3.149
  584   HG11  VAL  76          HG11      VAL  76  -3.297  -8.351   4.120
  585   HG12  VAL  76          HG12      VAL  76  -2.367  -8.287   2.625
  586   HG13  VAL  76          HG13      VAL  76  -3.927  -7.472   2.728
  587   HG21  VAL  76          HG21      VAL  76  -3.160  -4.634   4.494
  588   HG22  VAL  76          HG22      VAL  76  -4.319  -5.653   3.639
  589   HG23  VAL  76          HG23      VAL  76  -3.103  -4.748   2.735
  590    H    VAL  77           H        VAL  77   0.464  -7.181   4.404
  591    HA   VAL  77           HA       VAL  77   0.359 -10.050   4.613
  592    HB   VAL  77           HB       VAL  77   2.676  -8.115   4.355
  593   HG11  VAL  77          HG11      VAL  77   3.953  -9.886   4.919
  594   HG12  VAL  77          HG12      VAL  77   3.466 -10.583   3.374
  595   HG13  VAL  77          HG13      VAL  77   2.583 -10.993   4.844
  596   HG21  VAL  77          HG21      VAL  77   2.650  -9.005   1.998
  597   HG22  VAL  77          HG22      VAL  77   1.206  -8.088   2.425
  598   HG23  VAL  77          HG23      VAL  77   1.153  -9.851   2.388
  599    H    GLY  78           H        GLY  78   1.882  -7.524   6.611
  600    HA2  GLY  78           HA3      GLY  78   3.008  -9.277   8.555
  601    HA3  GLY  78           HA2      GLY  78   2.621  -7.580   8.833
  602    H    ALA  79           H        ALA  79  -0.200  -7.782   8.315
  603    HA   ALA  79           HA       ALA  79  -1.098  -8.602  10.919
  604    HB1  ALA  79           HB1      ALA  79  -2.261  -6.844   9.688
  605    HB2  ALA  79           HB2      ALA  79  -3.377  -8.174  10.001
  606    HB3  ALA  79           HB3      ALA  79  -2.663  -7.978   8.400
  607    H    THR  80           H        THR  80  -1.273 -10.129   7.719
  608    HA   THR  80           HA       THR  80  -2.792 -12.401   8.758
  609    HB   THR  80           HB       THR  80  -2.601 -13.300   6.506
  610    HG1  THR  80           HG1      THR  80  -0.936 -11.113   5.873
  611   HG21  THR  80          HG21      THR  80  -3.489 -10.587   7.071
  612   HG22  THR  80          HG22      THR  80  -4.255 -11.830   6.082
  613   HG23  THR  80          HG23      THR  80  -3.025 -10.779   5.380
  614    H    THR  81           H        THR  81   0.559 -11.613   8.087
  615    HA   THR  81           HA       THR  81   1.307 -14.217   9.299
  616    HB   THR  81           HB       THR  81   3.380 -13.777   7.622
  617    HG1  THR  81           HG1      THR  81   2.515 -13.073   5.663
  618   HG21  THR  81          HG21      THR  81   2.065 -15.861   7.870
  619   HG22  THR  81          HG22      THR  81   2.362 -15.478   6.173
  620   HG23  THR  81          HG23      THR  81   0.784 -15.149   6.889
  621    HA   PRO  82           HA       PRO  82   3.894 -12.070  12.182
  622    HB2  PRO  82           HB2      PRO  82   6.177 -13.627  11.082
  623    HB3  PRO  82           HB3      PRO  82   5.644 -13.444  12.760
  624    HG2  PRO  82           HG3      PRO  82   5.186 -15.665  11.290
  625    HG3  PRO  82           HG2      PRO  82   4.131 -15.123  12.602
  626    HD2  PRO  82           HD3      PRO  82   3.615 -15.141   9.708
  627    HD3  PRO  82           HD2      PRO  82   2.472 -14.971  11.057
  628    HA   PRO  83           HA       PRO  83   5.375  -9.007   9.093
  629    HB2  PRO  83           HB2      PRO  83   5.989  -7.407  11.491
  630    HB3  PRO  83           HB3      PRO  83   4.972  -7.002  10.099
  631    HG2  PRO  83           HG3      PRO  83   3.992  -7.591  12.558
  632    HG3  PRO  83           HG2      PRO  83   3.104  -7.852  11.049
  633    HD2  PRO  83           HD3      PRO  83   4.371  -9.843  12.843
  634    HD3  PRO  83           HD2      PRO  83   3.030 -10.042  11.694
  635    H    VAL  84           H        VAL  84   7.461  -8.502   8.406
  636    HA   VAL  84           HA       VAL  84   9.674  -9.594  10.081
  637    HB   VAL  84           HB       VAL  84   9.664  -8.889   7.131
  638   HG11  VAL  84          HG11      VAL  84  11.712 -10.469   7.265
  639   HG12  VAL  84          HG12      VAL  84  11.662 -10.158   9.001
  640   HG13  VAL  84          HG13      VAL  84  11.907  -8.825   7.872
  641   HG21  VAL  84          HG21      VAL  84   8.945 -11.350   8.661
  642   HG22  VAL  84          HG22      VAL  84   9.874 -11.564   7.178
  643   HG23  VAL  84          HG23      VAL  84   8.307 -10.755   7.128
  644    H    GLU  85           H        GLU  85  11.200  -8.230  10.896
  645    HA   GLU  85           HA       GLU  85  12.007  -6.116  11.610
  646    HB2  GLU  85           HB3      GLU  85  12.319  -5.991   8.595
  647    HB3  GLU  85           HB2      GLU  85  13.178  -4.967   9.745
  648    HG2  GLU  85           HG3      GLU  85  14.141  -7.001  10.802
  649    HG3  GLU  85           HG2      GLU  85  13.337  -7.991   9.583
  650    H    ALA  86           H        ALA  86   9.061  -6.189  10.932
  651    HA   ALA  86           HA       ALA  86   7.312  -4.669  10.468
  652    HB1  ALA  86           HB1      ALA  86   9.224  -2.732  11.797
  653    HB2  ALA  86           HB2      ALA  86   8.291  -3.935  12.687
  654    HB3  ALA  86           HB3      ALA  86   7.462  -2.661  11.792
  655    H    LYS  87           H        LYS  87   7.848  -1.728  10.171
  656    HA   LYS  87           HA       LYS  87   8.155  -1.718   7.285
  657    HB2  LYS  87           HB3      LYS  87   6.725  -0.100   8.606
  658    HB3  LYS  87           HB2      LYS  87   8.216   0.674   9.141
  659    HG2  LYS  87           HG3      LYS  87   8.849   0.993   6.736
  660    HG3  LYS  87           HG2      LYS  87   7.266   0.365   6.280
  661    HD2  LYS  87           HD3      LYS  87   6.240   2.179   7.720
  662    HD3  LYS  87           HD2      LYS  87   7.857   2.864   7.883
  663    HE2  LYS  87           HE3      LYS  87   6.728   2.270   5.154
  664    HE3  LYS  87           HE2      LYS  87   6.311   3.767   5.986
  665    HZ1  LYS  87           HZ1      LYS  87   9.081   2.829   5.470
  666    HZ2  LYS  87           HZ2      LYS  87   8.634   4.304   6.175
  667    HZ3  LYS  87           HZ3      LYS  87   8.264   3.997   4.546
  668    H    LEU  88           H        LEU  88   9.895  -0.886   6.077
  669    HA   LEU  88           HA       LEU  88  12.516  -1.357   6.993
  670    HB2  LEU  88           HB3      LEU  88  11.911  -1.106   4.604
  671    HB3  LEU  88           HB2      LEU  88  11.626   0.615   4.863
  672    HG   LEU  88           HG       LEU  88  14.254  -0.370   5.802
  673   HD11  LEU  88          HD11      LEU  88  15.129  -0.244   3.407
  674   HD12  LEU  88          HD12      LEU  88  13.451  -0.381   2.883
  675   HD13  LEU  88          HD13      LEU  88  14.197  -1.688   3.802
  676   HD21  LEU  88          HD21      LEU  88  13.753   1.883   3.877
  677   HD22  LEU  88          HD22      LEU  88  14.938   1.775   5.176
  678   HD23  LEU  88          HD23      LEU  88  13.240   2.060   5.554
  679    H    GLN  89           H        GLN  89  10.595   1.627   7.068
  680    HA   GLN  89           HA       GLN  89  12.822   3.130   8.273
  681    HB2  GLN  89           HB3      GLN  89   9.929   3.878   7.744
  682    HB3  GLN  89           HB2      GLN  89  11.153   4.984   8.369
  683    HG2  GLN  89           HG3      GLN  89  12.508   4.665   6.348
  684    HG3  GLN  89           HG2      GLN  89  11.325   3.513   5.723
  685   HE21  GLN  89          HE22      GLN  89  11.936   5.890   4.267
  686   HE22  GLN  89          HE21      GLN  89  10.575   6.905   4.291