*HEADER    LIPID BINDING PROTEIN                   03-MAR-13   2M5P              
*TITLE     SOLUTION STRUCTURE OF LIPIDATED GLUCAGON ANALOG IN WATER              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUCAGON;                                                  
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    GLUCAGON, DIABETES, OBESITY, LIPIDATED, LIPID BINDING PROTEIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.P.WARD, D.MA                                                        
*REVDAT   1   27-MAR-13 2M5P    0                                                


assign (residue 4 and name O) (residue 8 and name N) 3.3 0.8 0.2
assign (residue 4 and name O) (residue 8 and name HN) 2.3 0.8 0.2

assign (residue 7 and name O) (residue 11 and name N) 3.3 0.8 0.2
assign (residue 7 and name O) (residue 11 and name HN) 2.3 0.8 0.2

assign (residue 8 and name O) (residue 12 and name N) 3.3 0.8 0.2
assign (residue 8 and name O) (residue 12 and name HN) 2.3 0.8 0.2

assign (residue 9 and name O) (residue 13 and name N) 3.3 0.8 0.2
assign (residue 9 and name O) (residue 13 and name HN) 2.3 0.8 0.2

assign (residue 21 and name O) (residue 25 and name N) 3.3 0.8 0.2
assign (residue 21 and name O) (residue 25 and name HN) 2.3 0.8 0.2

assign (residue 24 and name O) (residue 28 and name N) 3.3 0.8 0.2
assign (residue 24 and name O) (residue 28 and name HN) 2.3 0.8 0.2

!lipid
assign (residue 3 and name HN) (residue 103 and name H4#) 3.0 1.2 1.0
assign (residue 6 and name HD#) (residue 103 and name H16#) 2.5 0.7 0.5
assign (residue 6 and name HE#) (residue 103 and name H16#) 3.0 1.2 1.0
assign (residue 103 and name H2#) (residue 103 and name H3#) 3.0 1.2 1.0
assign (residue 103 and name H3#) (residue 103 and name H4#) 2.5 0.7 0.5
assign (residue 103 and name H15#) (residue 103 and name H16#) 2.5 0.7 0.5
assign (residue 103 and name H16#) (residue 103 and name H15#) 2.5 0.7 0.5

!i+4
assign (residue 9 and name HA) (residue 13 and name HD#) 3.0 1.2 3.0
assign (residue 14 and name HD*) (residue 18 and name HG#) 2.5 0.7 3.5   ! 2-6 new
assign (residue 18 and name HD#) (residue 14 and name HG) 3.0 1.2 3.0    ! 2-6 new

assign (residue 1 and name HE#) (residue 5 and name HG2#) 4.0 2.2 1.0
assign (residue 4 and name HA#) (residue 8 and name HB#) 2.5 0.7 1.1
assign (residue 6 and name HD#) (residue 10 and name HD#) 3.0 1.2 1.7
assign (residue 6 and name HD#) (residue 10 and name HE#) 3.0 1.2 1.0
assign (residue 6 and name HD#) (residue 2 and name HB*) 2.5 0.7 1.7
assign (residue 6 and name HE#) (residue 2 and name HB*) 3.0 1.2 1.0
assign (residue 7 and name HA) (residue 11 and name HB#) 3.0 1.2 2.9  
assign (residue 8 and name HA) (residue 12 and name HG#) 3.0 1.2 1.0
assign (residue 10 and name HE#) (residue 6 and name HD#) 2.5 0.7 3.2
assign (residue 10 and name HE#) (residue 14 and name HD*) 2.5 0.7 3.5
assign (residue 11 and name HB#) (residue 7 and name HB) 2.5 0.7 2.4
assign (residue 13 and name HN) (residue 9 and name HA) 3.0 1.2 1.0
assign (residue 13 and name HB#) (residue 9 and name HA) 3.0 1.2 2.4
assign (residue 13 and name HE#) (residue 17 and name HD#) 3.0 1.2 1.7
assign (residue 17 and name HB#) (residue 13 and name HZ1) 3.0 1.2 2.7
assign (residue 18 and name HB#) (residue 22 and name HA) 2.5 0.7 0.5
assign (residue 18 and name HG#) (residue 22 and name HA) 3.0 1.2 1.0
assign (residue 18 and name HE) (residue 22 and name HA) 3.0 1.2 1.0
assign (residue 20 and name HB#) (residue 16 and name HB*) 2.5 0.7 0.5
assign (residue 22 and name HE#) (residue 26 and name HD*) 2.5 0.7 2.5
assign (residue 22 and name HB#) (residue 26 and name HD*) 3.0 1.2 2.0
assign (residue 25 and name HA) (residue 29 and name HB) 2.5 0.7 1.8

!i + 3
assign (residue 12 and name HB#) (residue 15 and name HA) 3.0 1.2 3.0 ! NEW

assign (residue 14 and name HD1#) (residue 17 and name HA) 2.5 0.7 2.3  
assign (residue 14 and name HD2#) (residue 17 and name HA) 2.5 0.7 2.1  

assign (residue 1 and name HB#) (residue 4 and name HN) 3.0 1.2 2.5
assign (residue 4 and name HA#) (residue 7 and name HB) 2.5 0.7 1.5   
assign (residue 5 and name HN) (residue 2 and name HB*) 3.0 1.2 1.6
assign (residue 6 and name HD#) (residue 3 and name HB#) 2.5 0.7 1.7  
assign (residue 6 and name HE#) (residue 3 and name HB#) 3.0 1.2 1.0   
assign (residue 7 and name HA) (residue 10 and name HE#) 3.0 1.2 1.0
assign (residue 7 and name HB) (residue 10 and name HE#) 2.5 0.7 1.4    
assign (residue 7 and name HB) (residue 10 and name HD#) 3.0 1.2 1.0   
assign (residue 7 and name HG2#) (residue 10 and name HE#) 2.5 0.7 1.8
assign (residue 7 and name HG2#) (residue 10 and name HD#) 2.5 0.7 2.3 
assign (residue 8 and name HA) (residue 11 and name HB#) 2.5 0.7 0.5
assign (residue 9 and name HB#) (residue 12 and name HG1) 3.0 1.2 3.0
assign (residue 9 and name HB#) (residue 12 and name HG2) 3.0 1.2 3.0
assign (residue 10 and name HB#) (residue 7 and name HA) 3.0 1.2 1.0
assign (residue 10 and name HE#) (residue 7 and name HG2#) 2.5 0.7 1.8 
assign (residue 10 and name HE#) (residue 7 and name HB) 2.5 0.7 1.3    
assign (residue 10 and name HE#) (residue 7 and name HA) 2.5 0.7 0.5    
assign (residue 11 and name HB#) (residue 8 and name HA) 2.5 0.7 0.5
assign (residue 12 and name HG#) (residue 9 and name HN) 2.5 0.7 2.1   
assign (residue 21 and name HA) (residue 24 and name HN) 2.5 0.7 1.3
assign (residue 22 and name HB1) (residue 25 and name HN) 3.0 1.2 3.0
assign (residue 22 and name HB2) (residue 25 and name HN) 3.0 1.2 2.5
assign (residue 22 and name HE#) (residue 25 and name HB#) 3.0 1.2 1.8
assign (residue 23 and name HA) (residue 26 and name HD*) 2.5 0.7 2.5
assign (residue 26 and name HD*) (residue 23 and name HG*) 2.5 0.7 1.5
assign (residue 27 and name HN) (residue 24 and name HA) 3.0 1.2 1.0

!electrostatic
assign (residue 101 and name HH#) (residue 15 and name HA) 3.0 1.2 3.0   ! NEW

assign (residue 17 and name HE) (residue 101 and name HH#) 2.5 0.7 0.5     ! gGlu1 HG2
assign (residue 17 and name HH*) (residue 101 and name HH#) 2.5 0.7 0.5    ! gGlu1 HG2
assign (residue 101 and name HH#) (residue 17 and name HE) 2.5 0.7 0.5     ! gGlu1 HG2
assign (residue 101 and name HH#) (residue 17 and name HH*) 2.5 0.7 0.5    ! gGlu1 HG2
assign (residue 101 and name HI#) (residue 17 and name HD#) 3.0 1.2 2.4    ! gGlu1 HB1     readd 2-7
assign (residue 17 and name HH*) (residue 101 and name HI#) 3.0 1.2 1.0    ! gGlu1 HB1

assign (residue 18 and name HD#) (residue 102 and name HA) 3.0 1.2 1.8    ! gGlu2 HA 
assign (residue 18 and name HE) (residue 102 and name HK#) 3.0 1.2 2.3   ! gGlu2 HG1
assign (residue 18 and name HH*) (residue 102 and name HJ#) 3.0 1.2 1.0    ! gGlu2 HB1
assign (residue 18 and name HH*) (residue 102 and name HK#) 3.0 1.2 1.0    ! gGlu2 HG2
assign (residue 102 and name HK#) (residue 18 and name HG1) 3.0 1.2 2.2    ! gGlu2 HG1
assign (residue 102 and name HK#) (residue 18 and name HG2) 3.0 1.2 3.0    ! gGlu2 HG1

assign (residue 12 and name HD#) (residue 101 and name HH#) 2.5 0.7 2.7    ! gGlu1 HG2     readd 2-7
assign (residue 12 and name HD#) (residue 102 and name HA) 2.5 0.7 1.3    ! gGlu2 HA   
assign (residue 12 and name HG1) (residue 102 and name HA) 2.5 0.7 1.8    ! gGlu2 HA
assign (residue 12 and name HZ#) (residue 101 and name HA) 2.5 0.7 1.3    ! gGlu1 HA
assign (residue 101 and name HH#) (residue 12 and name HG#) 3.0 1.2 1.0    ! gGlu1 HG2
assign (residue 101 and name HH#) (residue 12 and name HZ#) 3.0 1.2 1.0    ! gGlu1 HG2
assign (residue 101 and name HA) (residue 12 and name HZ#) 3.0 1.2 1.0    ! gGlu1 HA
assign (residue 102 and name HA) (residue 12 and name HG2) 3.0 1.2 2.0    ! gGlu2 HA
assign (residue 102 and name HK#) (residue 12 and name HZ#) 3.0 1.2 1.0    ! gGlu2 HG2
assign (residue 12 and name HE#) (residue 102 and name HA) 3.0 1.2 1.0    ! gGlu2 HA   
assign (residue 12 and name HG2) (residue 102 and name HA) 3.0 1.2 1.8    ! gGlu2 HA
assign (residue 12 and name HZ#) (residue 101 and name HH#) 3.0 1.2 1.0    ! gGlu1 HG2
assign (residue 12 and name HZ#) (residue 102 and name HJ#) 3.0 1.2 1.0    ! gGlu2 HB2
assign (residue 12 and name HZ#) (residue 102 and name HK#) 3.0 1.2 1.0    ! gGlu2 HG2
assign (residue 102 and name HA) (residue 12 and name HG1) 3.0 1.2 1.0    ! gGlu2 HA

!lys-glu-glu
assign (residue 101 and name HH#) (residue 102 and name HJ#) 2.5 0.7 2.2        ! readd 2-7
assign (residue 13 and name HB#) (residue 101 and name HH#) 2.5 0.7 1.4        ! readd 2-7 
assign (residue 101 and name HH#) (residue 102 and name HK#) 2.5 0.7 1.3        ! readd 2-7 
assign (residue 101 and name HI#) (residue 102 and name HN) 2.5 0.7 3.5        ! readd 2-7 
assign (residue 101 and name HH#) (residue 102 and name HN) 2.5 0.7 2.9       ! readd 2-7 

assign (residue 101 and name HH#) (residue 13 and name HB#) 2.5 0.7 1.4   ! readd 2-7
assign (residue 13 and name HG#) (residue 101 and name HI2) 2.5 0.7 2.2   ! readd 2-7
assign (residue 13 and name HG#) (residue 101 and name HI3) 2.5 0.7 2.4   ! readd 2-7

assign (residue 102 and name HN) (residue 102 and name HJ#) 3.0 1.2 1.0
assign (residue 102 and name HN) (residue 102 and name HK#) 3.0 1.2 1.0

assign (residue 101 and name HN) (residue 13 and name HD#) 2.5 0.7 2.8
assign (residue 102 and name HK#) (residue 102 and name HA) 2.5 0.7 0.5
assign (residue 101 and name HH#) (residue 102 and name HA) 2.5 0.7 2.9
assign (residue 101 and name HI#) (residue 102 and name HA) 2.5 0.7 1.5
assign (residue 101 and name HA) (residue 101 and name HN) 2.5 0.7 0.5
assign (residue 101 and name HN) (residue 102 and name HJ#) 2.5 0.7 0.5
assign (residue 102 and name HA) (residue 102 and name HJ#) 2.5 0.7 0.5
assign (residue 102 and name HJ#) (residue 101 and name HN) 2.5 0.7 0.5
assign (residue 102 and name HJ#) (residue 102 and name HA) 2.5 0.7 0.5
assign (residue 101 and name HN) (residue 13 and name HE#) 3.0 1.2 1.0
assign (residue 102 and name HA) (residue 102 and name HK#) 3.0 1.2 1.0
assign (residue 13 and name HE#) (residue 101 and name HN) 3.0 1.2 1.0

!i + 2
assign (residue 1 and name HB#) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 4 and name HN) 3.0 1.2 1.7
assign (residue 2 and name HB1#) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HB2#) (residue 4 and name HN) 2.5 0.7 1.0
assign (residue 3 and name HN) (residue 1 and name HB#) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 1 and name HA) 2.5 0.7 1.6
assign (residue 3 and name HB#) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 3 and name HG1) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 3 and name HG2) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 3 and name HN) 2.5 0.7 2.4
assign (residue 6 and name HD#) (residue 4 and name HA#) 3.0 1.2 1.0 
assign (residue 4 and name HN) (residue 2 and name HB1#) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 2 and name HB2#) 2.5 0.7 1.0
assign (residue 5 and name HG2#) (residue 7 and name HN) 2.5 0.7 1.4
assign (residue 5 and name HN) (residue 3 and name HB#) 3.0 1.2 1.0
assign (residue 10 and name HD#) (residue 8 and name HA) 3.0 1.2 3.0
assign (residue 15 and name HB#) (residue 17 and name HG#) 3.0 1.2 2.2
assign (residue 20 and name HA) (residue 22 and name HE#) 3.0 1.2 1.0
assign (residue 20 and name HN) (residue 18 and name HB#) 2.5 0.7 0.5
assign (residue 29 and name HN) (residue 27 and name HA) 3.0 1.2 1.0

!sequential
assign (residue 10 and name HE#) (residue 9 and name HA) 3.0 1.2 3.0      !  readd 2-7
assign (residue 17 and name HD#) (residue 18 and name HB#) 2.5 0.7 2.8    !  readd 2-7

assign (residue 1 and name HA) (residue 2 and name HB*) 2.5 0.7 1.0
assign (residue 1 and name HA) (residue 2 and name HN) 2.5 0.7 0.5
assign (residue 1 and name HB#) (residue 2 and name HN) 2.5 0.7 0.5
assign (residue 1 and name HD#) (residue 2 and name HN) 3.0 1.2 1.0
assign (residue 1 and name HD#) (residue 2 and name HB*) 2.5 0.7 0.5
assign (residue 1 and name HE#) (residue 2 and name HB*) 3.0 1.2 1.0
assign (residue 2 and name HB*) (residue 3 and name HA) 2.5 0.7 1.3
assign (residue 2 and name HB*) (residue 1 and name HE#) 2.5 0.7 1.5
assign (residue 2 and name HB*) (residue 3 and name HG#) 2.5 0.7 0.5
assign (residue 2 and name HB*) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 1 and name HD#) 3.0 1.2 1.0
assign (residue 2 and name HN) (residue 1 and name HA) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 1 and name HB#) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HB1#) (residue 1 and name HA) 2.5 0.7 1.3
assign (residue 2 and name HB2#) (residue 1 and name HA) 2.5 0.7 1.5
assign (residue 2 and name HB*) (residue 3 and name HA) 2.5 0.7 1.3
assign (residue 2 and name HB*) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HB*) (residue 3 and name HG#) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 3 and name HA) 2.5 0.7 1.9
assign (residue 3 and name HA) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 4 and name HN) 2.5 0.7 1.1
assign (residue 3 and name HB2) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HB#) (residue 2 and name HB*) 2.5 0.7 1.3
assign (residue 3 and name HG#) (residue 2 and name HB1#) 2.5 0.7 1.2
assign (residue 3 and name HG#) (residue 2 and name HB2#) 2.5 0.7 0.5
assign (residue 3 and name HG#) (residue 2 and name HB*) 3.0 1.2 1.0
assign (residue 3 and name HG#) (residue 2 and name HB*) 2.5 0.7 0.5
assign (residue 3 and name HG#) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 2 and name HB*) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 2 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 2 and name HB*) 2.5 0.7 0.5
assign (residue 4 and name HA#) (residue 5 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HA#) (residue 5 and name HG2#) 2.5 0.7 1.1
assign (residue 4 and name HA1) (residue 3 and name HG#) 2.5 0.7 1.7
assign (residue 4 and name HA2) (residue 3 and name HG#) 2.5 0.7 1.1
assign (residue 4 and name HN) (residue 3 and name HG#) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 3 and name HB1) 2.5 0.7 1.1
assign (residue 4 and name HN) (residue 3 and name HB2) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 5 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HA) (residue 6 and name HB#) 3.0 1.2 1.9
assign (residue 5 and name HA) (residue 6 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HA) (residue 6 and name HA) 2.5 0.7 1.9
assign (residue 5 and name HB) (residue 6 and name HN) 2.5 0.7 1.3
assign (residue 5 and name HG2#) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HG2#) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 5 and name HG2#) (residue 4 and name HA#) 2.5 0.7 1.1
assign (residue 5 and name HG2#) (residue 6 and name HB#) 3.0 1.2 1.0
assign (residue 5 and name HN) (residue 4 and name HA#) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 4 and name HA#) 3.0 1.2 1.0
assign (residue 5 and name HN) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 6 and name HA) 3.0 1.2 2.2
assign (residue 5 and name HN) (residue 6 and name HD#) 3.0 1.2 1.0
assign (residue 6 and name HB#) (residue 5 and name HB) 3.0 1.2 1.9
assign (residue 6 and name HB#) (residue 5 and name HN) 3.0 1.2 1.6
assign (residue 6 and name HB1) (residue 7 and name HN) 2.5 0.7 1.1
assign (residue 6 and name HB2) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 5 and name HA) 2.5 0.7 2.2
assign (residue 6 and name HB#) (residue 7 and name HA) 2.5 0.7 1.7
assign (residue 6 and name HB#) (residue 5 and name HG2#) 3.0 1.2 1.0
assign (residue 6 and name HD#) (residue 7 and name HA) 2.5 0.7 1.2
assign (residue 6 and name HD#) (residue 5 and name HN) 3.0 1.2 1.0
assign (residue 6 and name HD#) (residue 7 and name HB) 2.5 0.7 0.5
assign (residue 6 and name HD#) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 6 and name HD#) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 6 and name HE#) (residue 5 and name HN) 3.0 1.2 1.0
assign (residue 6 and name HE#) (residue 7 and name HN) 3.0 1.2 1.0
assign (residue 6 and name HE#) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 6 and name HE#) (residue 7 and name HB) 2.5 0.7 0.5
assign (residue 6 and name HN) (residue 5 and name HB) 2.5 0.7 1.3
assign (residue 6 and name HN) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HA) (residue 8 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 8 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 6 and name HB#) 3.0 1.2 1.0
assign (residue 7 and name HN) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 6 and name HB1) 2.5 0.7 1.1
assign (residue 7 and name HN) (residue 6 and name HB2) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 6 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 8 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 6 and name HA) 2.5 0.7 0.5
assign (residue 8 and name HN) (residue 7 and name HG2#) 2.5 0.7 0.5
assign (residue 8 and name HN) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 9 and name HA) (residue 8 and name HB#) 3.0 1.2 1.0
assign (residue 9 and name HB1) (residue 10 and name HN) 3.0 1.2 1.0
assign (residue 9 and name HB2) (residue 10 and name HN) 3.0 1.2 1.0
assign (residue 9 and name HB#) (residue 8 and name HA) 3.0 1.2 1.7
assign (residue 9 and name HB#) (residue 8 and name HA) 2.5 0.7 2.2
assign (residue 9 and name HN) (residue 8 and name HA) 2.5 0.7 0.5
assign (residue 9 and name HN) (residue 8 and name HB#) 3.0 1.2 1.0
assign (residue 11 and name HN) (residue 10 and name HN) 2.5 0.7 0.5
assign (residue 11 and name HN) (residue 12 and name HN) 3.0 1.2 1.0
assign (residue 11 and name HB#) (residue 10 and name HN) 3.0 1.2 1.0
assign (residue 13 and name HB#) (residue 14 and name HA) 2.5 0.7 1.3
assign (residue 14 and name HA) (residue 13 and name HB#) 2.5 0.7 1.3
assign (residue 14 and name HD*) (residue 15 and name HB#) 2.5 0.7 1.3
assign (residue 15 and name HN) (residue 16 and name HN) 2.5 0.7 0.5
assign (residue 16 and name HB*) (residue 15 and name HN) 2.5 0.7 1.5
assign (residue 18 and name HB#) (residue 17 and name HN) 2.5 0.7 2.8
assign (residue 20 and name HA) (residue 21 and name HB#) 2.5 0.7 2.6
assign (residue 20 and name HN) (residue 21 and name HB#) 2.5 0.7 0.5
assign (residue 20 and name HN) (residue 18 and name HB#) 2.5 0.7 0.5
assign (residue 21 and name HB#) (residue 22 and name HA) 3.0 1.2 1.0
assign (residue 22 and name HB#) (residue 23 and name HG*) 3.0 1.2 1.0
assign (residue 22 and name HE#) (residue 23 and name HG1#) 2.5 0.7 1.5
assign (residue 22 and name HE#) (residue 23 and name HG2#) 2.5 0.7 0.5
assign (residue 25 and name HZ3) (residue 26 and name HG) 2.5 0.7 2.0
assign (residue 25 and name HZ3) (residue 26 and name HB#) 2.5 0.7 0.5
assign (residue 25 and name HZ3) (residue 26 and name HD*) 3.0 1.2 1.0 ! NEW
assign (residue 27 and name HB#) (residue 26 and name HD*) 3.0 1.2 1.0

!intraresidue
assign (residue 6 and name HE#) (residue 6 and name HA) 2.5 0.7 3.5   ! readd 2-7

assign (residue 1 and name HA) (residue 1 and name HB#) 2.5 0.7 0.5
assign (residue 1 and name HB1) (residue 1 and name HB2) 2.5 0.7 0.5
assign (residue 1 and name HB#) (residue 1 and name HA) 2.5 0.7 0.5
assign (residue 1 and name HB#) (residue 1 and name HD#) 2.5 0.7 0.5
assign (residue 1 and name HD#) (residue 1 and name HB#) 2.5 0.7 0.5
assign (residue 1 and name HD#) (residue 1 and name HE#) 4.0 2.2 1.0
assign (residue 1 and name HE#) (residue 1 and name HB#) 3.0 1.2 1.0
assign (residue 1 and name HE#) (residue 1 and name HD#) 3.0 1.2 1.0
assign (residue 2 and name HB1#) (residue 2 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HB2#) (residue 2 and name HN) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 2 and name HB1#) 2.5 0.7 0.5
assign (residue 2 and name HN) (residue 2 and name HB2#) 2.5 0.7 0.5
assign (residue 3 and name HA) (residue 3 and name HB1) 2.5 0.7 0.5
assign (residue 3 and name HA) (residue 3 and name HB2) 2.5 0.7 0.5
assign (residue 3 and name HA) (residue 3 and name HG#) 2.5 0.7 0.5
assign (residue 3 and name HA) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HB2) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HG2) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HN) 2.5 0.7 1.0
assign (residue 3 and name HB2) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 3 and name HB2) (residue 3 and name HB1) 2.5 0.7 0.5
assign (residue 3 and name HB2) (residue 3 and name HG2) 2.5 0.7 0.5
assign (residue 3 and name HG#) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 3 and name HG2) (residue 3 and name HB1) 2.5 0.7 0.5
assign (residue 3 and name HG2) (residue 3 and name HB2) 2.5 0.7 0.5
assign (residue 3 and name HG2) (residue 3 and name HG1) 2.5 0.7 0.5
assign (residue 3 and name HG#) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HE2#) (residue 3 and name HA) 3.0 1.2 1.0
assign (residue 3 and name HN) (residue 3 and name HB#) 2.5 0.7 0.5
assign (residue 3 and name HB#) (residue 3 and name HN) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 3 and name HB1) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 3 and name HG#) 2.5 0.7 0.5
assign (residue 4 and name HA2) (residue 4 and name HA1) 2.5 0.7 0.5
assign (residue 4 and name HA#) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 4 and name HA#) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 4 and name HA#) 3.0 1.2 1.0
assign (residue 5 and name HA) (residue 5 and name HB) 2.5 0.7 0.5
assign (residue 5 and name HA) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 5 and name HA) (residue 5 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HB) (residue 5 and name HA) 2.5 0.7 0.5
assign (residue 5 and name HB) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 5 and name HG2#) (residue 5 and name HA) 2.5 0.7 0.5
assign (residue 5 and name HG2#) (residue 5 and name HB) 2.5 0.7 0.5
assign (residue 5 and name HG2#) (residue 5 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HB) (residue 5 and name HN) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 5 and name HB) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 5 and name HA) 2.5 0.7 0.5
assign (residue 5 and name HN) (residue 5 and name HG2#) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 6 and name HA) 2.5 0.7 0.5
assign (residue 6 and name HB1) (residue 6 and name HB2) 2.5 0.7 0.5
assign (residue 6 and name HB1) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 6 and name HN) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 6 and name HA) 2.5 0.7 0.5
assign (residue 6 and name HB2) (residue 6 and name HB1) 2.5 0.7 0.5
assign (residue 6 and name HB2) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 6 and name HN) 2.5 0.7 0.5
assign (residue 6 and name HD#) (residue 6 and name HB1) 2.5 0.7 0.5
assign (residue 6 and name HD#) (residue 6 and name HB2) 2.5 0.7 0.5
assign (residue 6 and name HD#) (residue 6 and name HN) 2.5 0.7 0.5
assign (residue 6 and name HE#) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 6 and name HB#) (residue 6 and name HE#) 2.5 0.7 1.4
assign (residue 6 and name HE#) (residue 6 and name HB1) 2.5 0.7 1.8
assign (residue 6 and name HE#) (residue 6 and name HB2) 2.5 0.7 2.0
assign (residue 6 and name HD#) (residue 6 and name HA) 2.5 0.7 1.1
assign (residue 6 and name HE#) (residue 6 and name HN) 2.5 0.7 1.1
assign (residue 6 and name HN) (residue 6 and name HA) 2.5 0.7 0.5
assign (residue 6 and name HN) (residue 6 and name HB1) 2.5 0.7 0.5
assign (residue 6 and name HN) (residue 6 and name HB2) 2.5 0.7 1.2
assign (residue 6 and name HN) (residue 6 and name HD#) 2.5 0.7 0.5
assign (residue 7 and name HA) (residue 7 and name HG2#) 2.5 0.7 0.5
assign (residue 7 and name HB) (residue 7 and name HG2#) 2.5 0.7 0.5
assign (residue 7 and name HB) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 7 and name HA) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 7 and name HB) 2.5 0.7 0.5
assign (residue 7 and name HG2#) (residue 7 and name HN) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 7 and name HA) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 7 and name HB) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 7 and name HG2#) 2.5 0.7 0.5
assign (residue 7 and name HA) (residue 7 and name HN) 3.0 1.2 1.0
assign (residue 8 and name HB#) (residue 8 and name HN) 3.0 1.2 1.0
assign (residue 8 and name HN) (residue 8 and name HB#) 3.0 1.2 1.0
assign (residue 8 and name HB#) (residue 8 and name HA) 2.5 0.7 0.5
assign (residue 8 and name HB2) (residue 8 and name HB1) 2.5 0.7 0.5
assign (residue 9 and name HB1) (residue 9 and name HA) 2.5 0.7 0.5
assign (residue 9 and name HB1) (residue 9 and name HB2) 2.5 0.7 0.5
assign (residue 9 and name HB1) (residue 9 and name HN) 2.5 0.7 0.5
assign (residue 9 and name HB2) (residue 9 and name HA) 2.5 0.7 0.5
assign (residue 9 and name HB2) (residue 9 and name HB1) 2.5 0.7 0.5
assign (residue 9 and name HB2) (residue 9 and name HN) 2.5 0.7 0.5
assign (residue 9 and name HN) (residue 9 and name HA) 2.5 0.7 0.5
assign (residue 9 and name HN) (residue 9 and name HB1) 2.5 0.7 0.5
assign (residue 9 and name HN) (residue 9 and name HB2) 2.5 0.7 0.5
assign (residue 10 and name HD#) (residue 10 and name HE#) 2.5 0.7 0.5
assign (residue 10 and name HE#) (residue 10 and name HD#) 2.5 0.7 0.5
assign (residue 10 and name HA) (residue 10 and name HN) 3.0 1.2 1.0
assign (residue 10 and name HB#) (residue 10 and name HE#) 3.0 1.2 1.0
assign (residue 10 and name HE#) (residue 10 and name HB#) 3.0 1.2 1.0
assign (residue 10 and name HE#) (residue 10 and name HN) 3.0 1.2 2.3
assign (residue 10 and name HE#) (residue 10 and name HB#) 2.5 0.7 1.5
assign (residue 10 and name HN) (residue 10 and name HD#) 3.0 1.2 1.0
assign (residue 11 and name HA) (residue 11 and name HB#) 2.5 0.7 0.5
assign (residue 12 and name HA) (residue 12 and name HN) 2.5 0.7 0.5
assign (residue 12 and name HB#) (residue 12 and name HA) 2.5 0.7 0.5
assign (residue 12 and name HB#) (residue 12 and name HG1) 2.5 0.7 0.5
assign (residue 12 and name HB#) (residue 12 and name HG2) 2.5 0.7 0.5
assign (residue 12 and name HB#) (residue 12 and name HD#) 2.5 0.7 0.5
assign (residue 12 and name HD#) (residue 12 and name HB#) 2.5 0.7 0.5
assign (residue 12 and name HD#) (residue 12 and name HG1) 2.5 0.7 0.5
assign (residue 12 and name HD#) (residue 12 and name HG2) 2.5 0.7 0.5
assign (residue 12 and name HE#) (residue 12 and name HG#) 2.5 0.7 0.5
assign (residue 12 and name HG#) (residue 12 and name HB#) 2.5 0.7 0.5
assign (residue 12 and name HB#) (residue 12 and name HE#) 2.5 0.7 1.1
assign (residue 12 and name HE#) (residue 12 and name HG#) 2.5 0.7 0.5
assign (residue 12 and name HE#) (residue 12 and name HB#) 4.0 2.2 1.0
assign (residue 12 and name HN) (residue 12 and name HB#) 2.5 0.7 0.5
assign (residue 12 and name HE#) (residue 12 and name HB#) 3.0 1.2 1.0
assign (residue 12 and name HE#) (residue 12 and name HD#) 3.0 1.2 1.0
assign (residue 12 and name HG1) (residue 12 and name HD#) 3.0 1.2 1.0
assign (residue 12 and name HG2) (residue 12 and name HD#) 3.0 1.2 1.0
assign (residue 12 and name HE#) (residue 12 and name HB#) 3.0 1.2 1.0
assign (residue 12 and name HN) (residue 12 and name HD1) 2.5 0.7 2.2
assign (residue 12 and name HN) (residue 12 and name HD2) 2.5 0.7 2.5
assign (residue 13 and name HE#) (residue 13 and name HB#) 3.0 1.2 1.0
assign (residue 13 and name HG#) (residue 13 and name HD#) 2.5 0.7 0.5
assign (residue 13 and name HD#) (residue 13 and name HE#) 2.5 0.7 0.5
assign (residue 13 and name HE#) (residue 13 and name HD#) 2.5 0.7 0.5
assign (residue 13 and name HB1) (residue 13 and name HB2) 3.0 1.2 1.0
assign (residue 13 and name HD#) (residue 13 and name HZ1) 2.5 0.7 0.5
assign (residue 13 and name HD#) (residue 13 and name HZ1) 2.5 0.7 0.5
assign (residue 13 and name HE#) (residue 13 and name HB#) 3.0 1.2 1.0
assign (residue 13 and name HB#) (residue 13 and name HD#) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HA) 2.5 0.7 0.5
assign (residue 14 and name HA) (residue 14 and name HN) 2.5 0.7 0.5
assign (residue 14 and name HN) (residue 14 and name HA) 2.5 0.7 0.5
assign (residue 14 and name HA) (residue 14 and name HD*) 2.5 0.7 0.5
assign (residue 14 and name HB#) (residue 14 and name HD*) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HB#) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HG) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HA) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HB#) 2.5 0.7 0.5
assign (residue 14 and name HD*) (residue 14 and name HG) 2.5 0.7 0.5
assign (residue 14 and name HA) (residue 14 and name HB#) 3.0 1.2 1.0
assign (residue 15 and name HB#) (residue 15 and name HA) 3.0 1.2 1.0
assign (residue 16 and name HB*) (residue 16 and name HN) 2.5 0.7 0.5
assign (residue 16 and name HN) (residue 16 and name HB*) 2.5 0.7 0.5
assign (residue 17 and name HN) (residue 17 and name HG1) 2.5 0.7 0.5
assign (residue 17 and name HA) (residue 17 and name HN) 2.5 0.7 0.5
assign (residue 17 and name HA) (residue 17 and name HB2) 2.5 0.7 0.5
assign (residue 17 and name HB1) (residue 17 and name HA) 2.5 0.7 0.5
assign (residue 17 and name HB1) (residue 17 and name HD2) 2.5 0.7 1.1
assign (residue 17 and name HB1) (residue 17 and name HG2) 2.5 0.7 0.5
assign (residue 17 and name HB2) (residue 17 and name HA) 2.5 0.7 0.5
assign (residue 17 and name HB2) (residue 17 and name HG1) 2.5 0.7 0.5
assign (residue 17 and name HD2) (residue 17 and name HB1) 2.5 0.7 1.1
assign (residue 17 and name HD2) (residue 17 and name HG1) 2.5 0.7 0.5
assign (residue 17 and name HD2) (residue 17 and name HG2) 2.5 0.7 0.5
assign (residue 17 and name HE) (residue 17 and name HH*) 2.5 0.7 0.5
assign (residue 17 and name HG1) (residue 17 and name HB2) 2.5 0.7 0.5
assign (residue 17 and name HG1) (residue 17 and name HD2) 2.5 0.7 0.5
assign (residue 17 and name HG2) (residue 17 and name HB2) 2.5 0.7 0.5
assign (residue 17 and name HG2) (residue 17 and name HD2) 2.5 0.7 0.5
assign (residue 17 and name HH*) (residue 17 and name HE) 2.5 0.7 0.5
assign (residue 17 and name HA) (residue 17 and name HB1) 3.0 1.2 1.0
assign (residue 17 and name HB1) (residue 17 and name HE) 3.0 1.2 1.7
assign (residue 17 and name HD1) (residue 17 and name HD2) 3.0 1.2 1.0
assign (residue 17 and name HD1) (residue 17 and name HB1) 3.0 1.2 1.0
assign (residue 17 and name HD1) (residue 17 and name HB2) 3.0 1.2 1.0
assign (residue 17 and name HD1) (residue 17 and name HG1) 3.0 1.2 1.0
assign (residue 17 and name HD2) (residue 17 and name HE) 3.0 1.2 1.0
assign (residue 17 and name HD2) (residue 17 and name HG2) 3.0 1.2 1.0
assign (residue 17 and name HE) (residue 17 and name HD2) 3.0 1.2 1.0
assign (residue 18 and name HB2) (residue 18 and name HD#) 2.5 0.7 0.5
assign (residue 18 and name HB2) (residue 18 and name HG#) 2.5 0.7 0.5
assign (residue 18 and name HD#) (residue 18 and name HB#) 2.5 0.7 0.5
assign (residue 18 and name HD#) (residue 18 and name HE) 2.5 0.7 0.5
assign (residue 18 and name HD#) (residue 18 and name HG#) 2.5 0.7 0.5
assign (residue 18 and name HD#) (residue 18 and name HH*) 2.5 0.7 0.5
assign (residue 18 and name HE) (residue 18 and name HD#) 2.5 0.7 0.5
assign (residue 18 and name HE) (residue 18 and name HG#) 2.5 0.7 0.5
assign (residue 18 and name HE) (residue 18 and name HH*) 2.5 0.7 0.5
assign (residue 18 and name HG#) (residue 18 and name HB#) 2.5 0.7 0.5
assign (residue 18 and name HG#) (residue 18 and name HD#) 2.5 0.7 0.5
assign (residue 18 and name HG#) (residue 18 and name HE) 2.5 0.7 0.5
assign (residue 18 and name HH*) (residue 18 and name HE) 2.5 0.7 0.5
assign (residue 18 and name HB#) (residue 18 and name HN) 2.5 0.7 0.5
assign (residue 18 and name HE) (residue 18 and name HB2) 2.5 0.7 0.5
assign (residue 19 and name HB#) (residue 19 and name HN) 3.0 1.2 1.0
assign (residue 20 and name HA) (residue 20 and name HB1) 2.5 0.7 0.5
assign (residue 20 and name HA) (residue 20 and name HB2) 2.5 0.7 0.5
assign (residue 20 and name HA) (residue 20 and name HG#) 2.5 0.7 0.5
assign (residue 20 and name HB1) (residue 20 and name HB2) 2.5 0.7 0.5
assign (residue 20 and name HG#) (residue 20 and name HB1) 2.5 0.7 0.5
assign (residue 20 and name HN) (residue 20 and name HB2) 3.0 1.2 1.0
assign (residue 21 and name HA) (residue 21 and name HB1) 2.5 0.7 0.5
assign (residue 21 and name HA) (residue 21 and name HB2) 2.5 0.7 0.5
assign (residue 21 and name HB1) (residue 21 and name HA) 2.5 0.7 0.5
assign (residue 21 and name HB2) (residue 21 and name HA) 2.5 0.7 0.5
assign (residue 21 and name HB2) (residue 21 and name HB1) 2.5 0.7 0.5
assign (residue 21 and name HB#) (residue 21 and name HN) 2.5 0.7 0.5
assign (residue 21 and name HN) (residue 21 and name HB#) 2.5 0.7 0.5 
assign (residue 22 and name HB#) (residue 22 and name HA) 2.5 0.7 0.5
assign (residue 22 and name HA) (residue 22 and name HB#) 3.0 1.2 1.0
assign (residue 22 and name HB#) (residue 22 and name HN) 3.0 1.2 1.0
assign (residue 24 and name HB1) (residue 24 and name HB2) 2.5 0.7 0.5
assign (residue 24 and name HB1) (residue 24 and name HG1) 2.5 0.7 0.5
assign (residue 24 and name HB1) (residue 24 and name HG1) 2.5 0.7 0.5
assign (residue 24 and name HB2) (residue 24 and name HB1) 2.5 0.7 0.5
assign (residue 24 and name HB1) (residue 24 and name HB2) 2.5 0.7 0.5
assign (residue 24 and name HB1) (residue 24 and name HG1) 2.5 0.7 0.5
assign (residue 24 and name HB1) (residue 24 and name HG1) 2.5 0.7 0.5
assign (residue 24 and name HB2) (residue 24 and name HB1) 2.5 0.7 0.5
assign (residue 24 and name HA) (residue 24 and name HG2) 3.0 1.2 1.0
assign (residue 25 and name HZ2) (residue 25 and name HE1) 3.0 1.2 1.0
assign (residue 26 and name HD*) (residue 26 and name HG) 2.5 0.7 0.5
assign (residue 26 and name HB#) (residue 26 and name HD*) 3.0 1.2 1.0
assign (residue 26 and name HB#) (residue 26 and name HA) 3.0 1.2 1.0
assign (residue 26 and name HD*) (residue 26 and name HB#) 3.0 1.2 1.0
assign (residue 27 and name HB#) (residue 27 and name HG#) 2.5 0.7 0.5
assign (residue 27 and name HG#) (residue 27 and name HB1) 3.0 1.2 1.0
assign (residue 27 and name HG#) (residue 27 and name HB2) 3.0 1.2 1.0
assign (residue 29 and name HN) (residue 29 and name HA) 4.0 2.2 1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           HT1      HIS   1  20.360 -29.872   7.490
    2    H2   HIS   1           HT2      HIS   1  20.078 -28.324   8.132
    3    H3   HIS   1           HT3      HIS   1  21.477 -29.186   8.567
    4    HA   HIS   1           HA       HIS   1  22.167 -29.105   6.176
    5    HB2  HIS   1           HB2      HIS   1  21.083 -27.594   4.705
    6    HB3  HIS   1           HB1      HIS   1  19.780 -28.554   5.424
    7    HD2  HIS   1           HD2      HIS   1  20.361 -24.968   4.731
    8    HE1  HIS   1           HE1      HIS   1  18.254 -24.915   8.386
    9    HE2  HIS   1           HE2      HIS   1  19.043 -23.493   6.433
   10    H    AIB   2           HN       AIB   2  23.287 -27.261   5.348
   11   HB11  AIB   2          HB11      AIB   2  26.158 -25.285   6.984
   12   HB12  AIB   2          HB12      AIB   2  25.853 -26.983   6.584
   13   HB13  AIB   2          HB13      AIB   2  25.310 -26.327   8.132
   14   HB21  AIB   2          HB21      AIB   2  22.414 -24.658   7.137
   15   HB22  AIB   2          HB22      AIB   2  23.881 -23.682   7.104
   16   HB23  AIB   2          HB23      AIB   2  23.656 -24.885   8.373
   17    H    GLN   3           HN       GLN   3  22.504 -24.852   4.894
   18    HA   GLN   3           HA       GLN   3  23.174 -24.688   2.443
   19    HB2  GLN   3           HB2      GLN   3  22.765 -22.054   2.637
   20    HB3  GLN   3           HB1      GLN   3  21.469 -23.228   2.824
   21    HG2  GLN   3           HG2      GLN   3  21.813 -23.225   5.247
   22    HG3  GLN   3           HG1      GLN   3  23.126 -22.081   5.072
   23   HE21  GLN   3          HE21      GLN   3  20.472 -21.637   2.886
   24   HE22  GLN   3          HE22      GLN   3  19.741 -20.340   3.701
   25    H    GLY   4           HN       GLY   4  24.722 -22.887   4.814
   26    HA2  GLY   4           HA2      GLY   4  26.803 -21.890   4.993
   27    HA3  GLY   4           HA1      GLY   4  27.296 -22.842   3.595
   28    H    THR   5           HN       THR   5  24.506 -21.170   3.026
   29    HA   THR   5           HA       THR   5  25.291 -19.611   0.932
   30    HB   THR   5           HB       THR   5  22.999 -19.988   1.395
   31    HG1  THR   5           HG1      THR   5  23.993 -17.460   1.247
   32   HG21  THR   5          HG21      THR   5  23.381 -18.376   3.889
   33   HG22  THR   5          HG22      THR   5  23.284 -20.146   3.851
   34   HG23  THR   5          HG23      THR   5  21.895 -19.167   3.375
   35    H    PHE   6           HN       PHE   6  25.879 -19.243   4.128
   36    HA   PHE   6           HA       PHE   6  26.681 -16.451   3.813
   37    HB2  PHE   6           HB2      PHE   6  26.458 -16.283   6.219
   38    HB3  PHE   6           HB1      PHE   6  24.978 -16.875   5.453
   39    HD1  PHE   6           HD2      PHE   6  24.616 -19.359   5.396
   40    HD2  PHE   6           HD1      PHE   6  27.448 -17.541   8.004
   41    HE1  PHE   6           HE2      PHE   6  24.499 -21.341   6.802
   42    HE2  PHE   6           HE1      PHE   6  27.354 -19.538   9.479
   43    HZ   PHE   6           HZ       PHE   6  25.876 -21.451   8.886
   44    H    THR   7           HN       THR   7  27.675 -19.146   5.774
   45    HA   THR   7           HA       THR   7  30.380 -18.239   5.958
   46    HB   THR   7           HB       THR   7  29.547 -19.587   7.753
   47    HG1  THR   7           HG1      THR   7  31.395 -20.970   6.112
   48   HG21  THR   7          HG21      THR   7  27.846 -20.737   6.581
   49   HG22  THR   7          HG22      THR   7  28.899 -21.941   7.310
   50   HG23  THR   7          HG23      THR   7  29.016 -21.587   5.584
   51    H    SER   8           HN       SER   8  28.909 -19.129   3.344
   52    HA   SER   8           HA       SER   8  30.401 -21.231   2.243
   53    HB2  SER   8           HB2      SER   8  29.800 -19.799   0.047
   54    HB3  SER   8           HB1      SER   8  28.644 -20.856   0.856
   55    HG   SER   8           HG       SER   8  28.253 -18.851   2.191
   56    H    ASP   9           HN       ASP   9  31.547 -18.463   3.336
   57    HA   ASP   9           HA       ASP   9  33.562 -18.132   1.235
   58    HB2  ASP   9           HB2      ASP   9  32.578 -16.076   1.822
   59    HB3  ASP   9           HB1      ASP   9  32.637 -16.449   3.545
   60    H    TYR  10           HN       TYR  10  33.308 -18.328   4.783
   61    HA   TYR  10           HA       TYR  10  36.092 -18.837   5.189
   62    HB2  TYR  10           HB2      TYR  10  34.151 -19.768   7.225
   63    HB3  TYR  10           HB1      TYR  10  35.586 -18.763   7.415
   64    HD1  TYR  10           HD2      TYR  10  35.325 -16.421   5.969
   65    HD2  TYR  10           HD1      TYR  10  32.147 -18.708   7.737
   66    HE1  TYR  10           HE2      TYR  10  33.892 -14.394   6.030
   67    HE2  TYR  10           HE1      TYR  10  30.717 -16.698   7.794
   68    HH   TYR  10           HH       TYR  10  31.280 -14.047   7.875
   69    H    SER  11           HN       SER  11  33.661 -20.670   3.884
   70    HA   SER  11           HA       SER  11  34.864 -23.220   4.768
   71    HB2  SER  11           HB2      SER  11  32.273 -22.517   4.966
   72    HB3  SER  11           HB1      SER  11  32.264 -23.206   3.345
   73    HG   SER  11           HG       SER  11  32.544 -25.116   4.183
   74    H    LYS  12           HN       LYS  12  33.253 -21.790   1.904
   75    HA   LYS  12           HA       LYS  12  34.632 -23.669   0.169
   76    HB2  LYS  12           HB2      LYS  12  33.122 -21.347  -0.947
   77    HB3  LYS  12           HB1      LYS  12  33.253 -22.991  -1.540
   78    HG2  LYS  12           HG2      LYS  12  31.827 -22.622   1.058
   79    HG3  LYS  12           HG1      LYS  12  31.022 -22.032  -0.379
   80    HD2  LYS  12           HD2      LYS  12  31.499 -24.349  -1.400
   81    HD3  LYS  12           HD1      LYS  12  31.882 -24.856   0.246
   82    HE2  LYS  12           HE2      LYS  12  29.613 -25.325   0.171
   83    HE3  LYS  12           HE1      LYS  12  29.578 -23.671   0.783
   84    HZ1  LYS  12           HZ1      LYS  12  28.548 -22.984  -1.038
   85    HZ2  LYS  12           HZ2      LYS  12  28.368 -24.609  -1.501
   86    HZ3  LYS  12           HZ3      LYS  12  29.699 -23.707  -2.055
   87    H    LYS  13           HN       LYX  13  34.434 -20.111   0.414
   88    HA   LYS  13           HA       LYX  13  37.135 -19.544   0.327
   89    HB2  LYS  13           HB2      LYX  13  37.197 -18.753  -2.158
   90    HB3  LYS  13           HB1      LYX  13  37.553 -20.441  -1.780
   91    HG2  LYS  13           HG2      LYX  13  35.672 -21.195  -2.804
   92    HG3  LYS  13           HG1      LYX  13  34.695 -19.838  -2.234
   93    HD2  LYS  13           HD2      LYX  13  35.539 -18.392  -3.953
   94    HD3  LYS  13           HD1      LYX  13  36.794 -19.544  -4.398
   95    HE2  LYS  13           HE2      LYX  13  35.123 -19.776  -6.064
   96    HE3  LYS  13           HE1      LYX  13  34.880 -21.151  -4.998
   97    HZ1  LYS  13           HZ1      LYX  13  33.278 -18.679  -4.720
   98    H    LEU  14           HN       LEU  14  35.323 -18.072  -2.211
   99    HA   LEU  14           HA       LEU  14  35.075 -15.649  -0.591
  100    HB2  LEU  14           HB2      LEU  14  36.367 -15.483  -2.693
  101    HB3  LEU  14           HB1      LEU  14  34.942 -15.996  -3.594
  102    HG   LEU  14           HG       LEU  14  33.712 -14.008  -2.779
  103   HD11  LEU  14          HD11      LEU  14  36.247 -13.659  -1.225
  104   HD12  LEU  14          HD12      LEU  14  34.581 -13.357  -0.733
  105   HD13  LEU  14          HD13      LEU  14  35.410 -12.212  -1.787
  106   HD21  LEU  14          HD21      LEU  14  36.315 -13.728  -4.248
  107   HD22  LEU  14          HD22      LEU  14  35.379 -12.281  -3.874
  108   HD23  LEU  14          HD23      LEU  14  34.669 -13.561  -4.857
  109    H    ASP  15           HN       ASP  15  33.108 -14.409  -0.660
  110    HA   ASP  15           HA       ASP  15  30.723 -16.039  -1.313
  111    HB2  ASP  15           HB2      ASP  15  30.439 -15.732   0.933
  112    HB3  ASP  15           HB1      ASP  15  31.390 -14.247   0.961
  113    H    AIB  16           HN       AIB  16  31.945 -12.696  -1.185
  114   HB11  AIB  16          HB11      AIB  16  29.118 -10.392  -2.537
  115   HB12  AIB  16          HB12      AIB  16  28.973 -11.880  -1.603
  116   HB13  AIB  16          HB13      AIB  16  28.797 -11.921  -3.357
  117   HB21  AIB  16          HB21      AIB  16  32.298 -10.161  -2.974
  118   HB22  AIB  16          HB22      AIB  16  32.055 -10.617  -1.288
  119   HB23  AIB  16          HB23      AIB  16  30.854  -9.623  -2.114
  120    H    ARG  17           HN       ARG  17  31.728 -13.846  -3.733
  121    HA   ARG  17           HA       ARG  17  32.799 -12.957  -6.134
  122    HB2  ARG  17           HB2      ARG  17  31.863 -15.402  -6.871
  123    HB3  ARG  17           HB1      ARG  17  33.339 -15.153  -5.941
  124    HG2  ARG  17           HG2      ARG  17  32.301 -15.692  -3.906
  125    HG3  ARG  17           HG1      ARG  17  30.683 -15.393  -4.545
  126    HD2  ARG  17           HD2      ARG  17  30.570 -17.434  -5.608
  127    HD3  ARG  17           HD1      ARG  17  32.313 -17.515  -5.862
  128    HE   ARG  17           HE       ARG  17  32.551 -18.433  -3.711
  129   HH11  ARG  17          HH21      ARG  17  29.313 -17.387  -4.338
  130   HH12  ARG  17          HH22      ARG  17  28.626 -18.282  -3.025
  131   HH21  ARG  17          HH11      ARG  17  31.654 -19.603  -1.989
  132   HH22  ARG  17          HH12      ARG  17  29.949 -19.535  -1.701
  133    H    ARG  18           HN       ARG  18  29.500 -14.150  -5.518
  134    HA   ARG  18           HA       ARG  18  28.557 -13.564  -8.164
  135    HB2  ARG  18           HB2      ARG  18  27.064 -14.024  -5.564
  136    HB3  ARG  18           HB1      ARG  18  26.300 -13.918  -7.148
  137    HG2  ARG  18           HG2      ARG  18  26.653 -16.140  -7.366
  138    HG3  ARG  18           HG1      ARG  18  28.374 -15.781  -7.490
  139    HD2  ARG  18           HD2      ARG  18  28.190 -17.366  -5.727
  140    HD3  ARG  18           HD1      ARG  18  28.420 -15.811  -4.935
  141    HE   ARG  18           HE       ARG  18  25.654 -16.657  -5.324
  142   HH11  ARG  18          HH21      ARG  18  28.430 -16.448  -3.257
  143   HH12  ARG  18          HH22      ARG  18  27.523 -16.648  -1.796
  144   HH21  ARG  18          HH11      ARG  18  24.470 -16.922  -3.406
  145   HH22  ARG  18          HH12      ARG  18  25.287 -16.916  -1.880
  146    H    ALA  19           HN       ALA  19  29.769 -11.531  -6.066
  147    HA   ALA  19           HA       ALA  19  29.650  -9.235  -5.885
  148    HB1  ALA  19           HB1      ALA  19  28.494  -9.600  -8.280
  149    HB2  ALA  19           HB2      ALA  19  28.521  -8.031  -7.477
  150    HB3  ALA  19           HB3      ALA  19  27.083  -9.048  -7.378
  151    H    GLN  20           HN       GLN  20  26.380 -10.620  -6.006
  152    HA   GLN  20           HA       GLN  20  25.704 -10.755  -3.387
  153    HB2  GLN  20           HB2      GLN  20  24.381  -8.542  -3.139
  154    HB3  GLN  20           HB1      GLN  20  26.116  -8.514  -2.816
  155    HG2  GLN  20           HG2      GLN  20  26.545  -7.217  -4.636
  156    HG3  GLN  20           HG1      GLN  20  25.383  -8.082  -5.639
  157   HE21  GLN  20          HE21      GLN  20  25.851  -5.261  -3.639
  158   HE22  GLN  20          HE22      GLN  20  24.285  -4.633  -3.819
  159    H    ASP  21           HN       ASP  21  24.924  -9.905  -6.603
  160    HA   ASP  21           HA       ASP  21  22.155  -9.924  -6.680
  161    HB2  ASP  21           HB2      ASP  21  24.360 -10.347  -8.528
  162    HB3  ASP  21           HB1      ASP  21  22.957 -11.337  -8.943
  163    H    PHE  22           HN       PHE  22  24.228 -12.359  -5.636
  164    HA   PHE  22           HA       PHE  22  23.191 -14.744  -6.473
  165    HB2  PHE  22           HB2      PHE  22  24.274 -15.674  -4.702
  166    HB3  PHE  22           HB1      PHE  22  24.956 -14.057  -4.552
  167    HD1  PHE  22           HD1      PHE  22  22.378 -16.380  -3.270
  168    HD2  PHE  22           HD2      PHE  22  24.309 -12.578  -2.765
  169    HE1  PHE  22           HE1      PHE  22  21.325 -16.145  -1.041
  170    HE2  PHE  22           HE2      PHE  22  23.261 -12.340  -0.533
  171    HZ   PHE  22           HZ       PHE  22  21.766 -14.125   0.333
  172    H    VAL  23           HN       VAL  23  21.848 -12.507  -4.090
  173    HA   VAL  23           HA       VAL  23  19.805 -13.991  -2.987
  174    HB   VAL  23           HB       VAL  23  19.569 -11.108  -3.882
  175   HG11  VAL  23          HG11      VAL  23  18.211 -12.748  -1.724
  176   HG12  VAL  23          HG12      VAL  23  17.449 -12.037  -3.147
  177   HG13  VAL  23          HG13      VAL  23  18.074 -10.995  -1.867
  178   HG21  VAL  23          HG21      VAL  23  21.645 -11.566  -2.566
  179   HG22  VAL  23          HG22      VAL  23  20.646 -12.250  -1.284
  180   HG23  VAL  23          HG23      VAL  23  20.504 -10.540  -1.694
  181    H    GLN  24           HN       GLN  24  20.020 -12.575  -6.186
  182    HA   GLN  24           HA       GLN  24  17.271 -13.112  -6.875
  183    HB2  GLN  24           HB2      GLN  24  19.645 -12.439  -8.637
  184    HB3  GLN  24           HB1      GLN  24  17.948 -12.436  -9.139
  185    HG2  GLN  24           HG2      GLN  24  17.628 -10.805  -7.114
  186    HG3  GLN  24           HG1      GLN  24  19.367 -10.564  -7.262
  187   HE21  GLN  24          HE21      GLN  24  19.300  -8.422  -8.144
  188   HE22  GLN  24          HE22      GLN  24  18.621  -8.079  -9.661
  189    H    TRP  25           HN       TRP  25  20.299 -14.806  -6.980
  190    HA   TRP  25           HA       TRP  25  20.114 -16.643  -8.962
  191    HB2  TRP  25           HB2      TRP  25  21.827 -16.541  -7.070
  192    HB3  TRP  25           HB1      TRP  25  20.702 -17.523  -6.133
  193    HD1  TRP  25           HD1      TRP  25  22.904 -17.622  -9.259
  194    HE1  TRP  25           HE1      TRP  25  23.244 -20.081  -9.957
  195    HE3  TRP  25           HE3      TRP  25  19.712 -19.911  -6.003
  196    HZ2  TRP  25           HZ2      TRP  25  22.287 -22.678  -9.228
  197    HZ3  TRP  25           HZ3      TRP  25  19.443 -22.374  -6.023
  198    HH2  TRP  25           HH2      TRP  25  20.725 -23.760  -7.630
  199    H    LEU  26           HN       LEU  26  18.563 -17.103  -5.770
  200    HA   LEU  26           HA       LEU  26  16.772 -19.088  -7.006
  201    HB2  LEU  26           HB2      LEU  26  16.180 -19.345  -4.413
  202    HB3  LEU  26           HB1      LEU  26  17.562 -20.155  -5.135
  203    HG   LEU  26           HG       LEU  26  19.037 -18.316  -4.414
  204   HD11  LEU  26          HD11      LEU  26  17.479 -16.453  -4.476
  205   HD12  LEU  26          HD12      LEU  26  18.084 -16.612  -2.829
  206   HD13  LEU  26          HD13      LEU  26  16.474 -17.201  -3.238
  207   HD21  LEU  26          HD21      LEU  26  18.886 -18.729  -1.977
  208   HD22  LEU  26          HD22      LEU  26  18.682 -20.219  -2.897
  209   HD23  LEU  26          HD23      LEU  26  17.276 -19.412  -2.200
  210    H    MET  27           HN       MET  27  16.033 -16.773  -7.923
  211    HA   MET  27           HA       MET  27  13.482 -16.281  -6.635
  212    HB2  MET  27           HB2      MET  27  15.431 -14.713  -5.691
  213    HB3  MET  27           HB1      MET  27  15.038 -13.798  -7.146
  214    HG2  MET  27           HG2      MET  27  12.558 -14.133  -6.357
  215    HG3  MET  27           HG1      MET  27  13.295 -14.430  -4.782
  216    HE1  MET  27           HE1      MET  27  11.233 -12.107  -5.530
  217    HE2  MET  27           HE2      MET  27  11.903 -12.007  -7.156
  218    HE3  MET  27           HE3      MET  27  11.931 -10.589  -6.112
  219    H    ASN  28           HN       ASN  28  15.755 -14.970  -9.055
  220    HA   ASN  28           HA       ASN  28  13.531 -14.415 -10.868
  221    HB2  ASN  28           HB2      ASN  28  15.504 -12.840 -10.504
  222    HB3  ASN  28           HB1      ASN  28  16.470 -14.002 -11.414
  223   HD21  ASN  28          HD21      ASN  28  13.559 -11.923 -11.685
  224   HD22  ASN  28          HD22      ASN  28  13.621 -11.800 -13.377
  225    H    THR  29           HN       THR  29  15.005 -17.137 -10.074
  226    HA   THR  29           HA       THR  29  15.560 -18.112 -12.782
  227    HB   THR  29           HB       THR  29  17.019 -18.625 -10.721
  228    HG1  THR  29           HG1      THR  29  16.435 -21.077 -11.663
  229   HG21  THR  29          HG21      THR  29  14.800 -19.270  -9.457
  230   HG22  THR  29          HG22      THR  29  16.282 -20.177  -9.152
  231   HG23  THR  29          HG23      THR  29  15.051 -20.835 -10.230
  232    H    GGL 101           HN2      LYX  13  30.583 -21.395  -4.550
  233    HA   GGL 101           HA2      LYX  13  31.117 -23.890  -5.853
  234    HB2  GGL 101           HI2      LYX  13  33.012 -23.721  -3.906
  235    HB3  GGL 101           HI1      LYX  13  33.127 -22.903  -5.462
  236    HG2  GGL 101           HH2      LYX  13  33.438 -21.516  -3.257
  237    HG3  GGL 101           HH1      LYX  13  31.691 -21.596  -3.172
  238    H    GGL 102           HN3      LYX  13  28.093 -23.609  -2.934
  239    HA   GGL 102           HA3      LYX  13  29.179 -21.569  -2.957
  240    HB2  GGL 102           HJ2      LYX  13  26.528 -20.904  -4.238
  241    HB3  GGL 102           HJ1      LYX  13  27.669 -19.632  -3.855
  242    HG2  GGL 102           HK2      LYX  13  27.656 -20.913  -6.223
  243    HG3  GGL 102           HK1      LYX  13  29.089 -20.195  -5.513
  244    H21  PLM 103           H22      LYX  13  25.387 -24.647  -1.640
  245    H22  PLM 103           H21      LYX  13  26.545 -23.674  -0.737
  246    H31  PLM 103           H32      LYX  13  24.965 -22.137  -0.101
  247    H32  PLM 103           H31      LYX  13  24.081 -22.267  -1.619
  248    H41  PLM 103           H41      LYX  13  24.058 -24.619   0.249
  249    H42  PLM 103           H42      LYX  13  23.054 -23.226   0.638
  250    H51  PLM 103           H51      LYX  13  22.064 -25.134  -0.865
  251    H52  PLM 103           H52      LYX  13  23.007 -24.374  -2.145
  252    H61  PLM 103           H62      LYX  13  21.815 -22.185  -1.028
  253    H62  PLM 103           H61      LYX  13  21.148 -23.074  -2.396
  254    H71  PLM 103           H72      LYX  13  20.508 -23.665   0.511
  255    H72  PLM 103           H71      LYX  13  19.790 -24.441  -0.898
  256    H81  PLM 103           H82      LYX  13  18.939 -22.207  -1.642
  257    H82  PLM 103           H81      LYX  13  18.255 -22.734  -0.107
  258    H91  PLM 103           H91      LYX  13  20.019 -20.443  -0.693
  259    H92  PLM 103           H92      LYX  13  20.496 -21.370   0.727
  260    HA1  PLM 103          H102      LYX  13  18.200 -21.170   1.623
  261    HA2  PLM 103          H101      LYX  13  17.733 -20.227   0.208
  262    HB1  PLM 103          H111      LYX  13  20.041 -19.404   1.976
  263    HB2  PLM 103          H112      LYX  13  19.160 -18.421   0.808
  264    HC1  PLM 103          H122      LYX  13  17.891 -19.597   3.301
  265    HC2  PLM 103          H121      LYX  13  17.181 -18.420   2.196
  266    HD1  PLM 103          H132      LYX  13  19.671 -17.344   3.020
  267    HD2  PLM 103          H131      LYX  13  18.061 -16.776   3.460
  268    HE1  PLM 103          H142      LYX  13  19.512 -19.018   4.893
  269    HE2  PLM 103          H141      LYX  13  17.997 -18.261   5.377
  270    HF1  PLM 103          H151      LYX  13  19.468 -16.051   5.307
  271    HF2  PLM 103          H152      LYX  13  19.479 -17.095   6.726
  272    HG1  PLM 103          H162      LYX  13  21.501 -18.250   5.825
  273    HG2  PLM 103          H163      LYX  13  21.500 -17.127   4.463
  274    HG3  PLM 103          H161      LYX  13  21.778 -16.530   6.097
  Start of MODEL    2
    1    H1   HIS   1           HT1      HIS   1  19.183 -27.992   5.946
    2    H2   HIS   1           HT2      HIS   1  19.288 -29.466   5.106
    3    H3   HIS   1           HT3      HIS   1  18.051 -28.361   4.738
    4    HA   HIS   1           HA       HIS   1  20.266 -28.550   3.308
    5    HB2  HIS   1           HB2      HIS   1  19.741 -26.365   2.434
    6    HB3  HIS   1           HB1      HIS   1  18.221 -27.152   2.874
    7    HD2  HIS   1           HD2      HIS   1  19.978 -23.881   3.509
    8    HE1  HIS   1           HE1      HIS   1  17.295 -24.312   6.737
    9    HE2  HIS   1           HE2      HIS   1  18.834 -22.687   5.529
   10    H    AIB   2           HN       AIB   2  20.917 -25.580   3.554
   11   HB11  AIB   2          HB11      AIB   2  24.617 -25.496   4.247
   12   HB12  AIB   2          HB12      AIB   2  23.662 -26.977   4.104
   13   HB13  AIB   2          HB13      AIB   2  24.171 -26.405   5.696
   14   HB21  AIB   2          HB21      AIB   2  21.401 -25.451   6.580
   15   HB22  AIB   2          HB22      AIB   2  22.162 -23.870   6.361
   16   HB23  AIB   2          HB23      AIB   2  23.129 -25.255   6.880
   17    H    GLN   3           HN       GLN   3  21.788 -24.633   2.539
   18    HA   GLN   3           HA       GLN   3  22.063 -23.069   1.033
   19    HB2  GLN   3           HB2      GLN   3  22.025 -20.667   1.944
   20    HB3  GLN   3           HB1      GLN   3  20.615 -21.700   2.110
   21    HG2  GLN   3           HG2      GLN   3  21.229 -22.188   4.399
   22    HG3  GLN   3           HG1      GLN   3  22.679 -21.236   4.231
   23   HE21  GLN   3          HE21      GLN   3  19.750 -20.137   2.662
   24   HE22  GLN   3          HE22      GLN   3  19.425 -18.864   3.737
   25    H    GLY   4           HN       GLY   4  23.973 -22.367   3.637
   26    HA2  GLY   4           HA2      GLY   4  26.236 -21.978   3.933
   27    HA3  GLY   4           HA1      GLY   4  26.479 -22.525   2.278
   28    H    THR   5           HN       THR   5  24.135 -20.242   2.340
   29    HA   THR   5           HA       THR   5  25.342 -18.300   0.832
   30    HB   THR   5           HB       THR   5  22.989 -18.306   1.182
   31    HG1  THR   5           HG1      THR   5  23.232 -16.248   0.871
   32   HG21  THR   5          HG21      THR   5  23.550 -17.632   4.050
   33   HG22  THR   5          HG22      THR   5  23.137 -19.249   3.471
   34   HG23  THR   5          HG23      THR   5  21.972 -17.939   3.329
   35    H    PHE   6           HN       PHE   6  25.778 -19.083   4.003
   36    HA   PHE   6           HA       PHE   6  27.239 -16.599   4.525
   37    HB2  PHE   6           HB2      PHE   6  26.706 -16.860   6.844
   38    HB3  PHE   6           HB1      PHE   6  25.236 -16.961   5.868
   39    HD1  PHE   6           HD2      PHE   6  24.467 -19.318   5.211
   40    HD2  PHE   6           HD1      PHE   6  27.177 -18.575   8.422
   41    HE1  PHE   6           HE2      PHE   6  23.851 -21.460   6.163
   42    HE2  PHE   6           HE1      PHE   6  26.568 -20.760   9.418
   43    HZ   PHE   6           HZ       PHE   6  24.902 -22.220   8.293
   44    H    THR   7           HN       THR   7  27.287 -19.785   5.924
   45    HA   THR   7           HA       THR   7  29.997 -19.729   6.620
   46    HB   THR   7           HB       THR   7  28.550 -21.215   7.761
   47    HG1  THR   7           HG1      THR   7  29.691 -23.241   7.287
   48   HG21  THR   7          HG21      THR   7  28.161 -22.442   5.059
   49   HG22  THR   7          HG22      THR   7  26.976 -21.544   6.005
   50   HG23  THR   7          HG23      THR   7  27.538 -23.116   6.565
   51    H    SER   8           HN       SER   8  28.950 -19.606   3.615
   52    HA   SER   8           HA       SER   8  30.414 -21.618   2.281
   53    HB2  SER   8           HB2      SER   8  30.297 -19.835   0.363
   54    HB3  SER   8           HB1      SER   8  28.841 -20.677   0.886
   55    HG   SER   8           HG       SER   8  28.630 -18.847   2.414
   56    H    ASP   9           HN       ASP   9  31.100 -18.426   1.522
   57    HA   ASP   9           HA       ASP   9  33.562 -18.316   0.721
   58    HB2  ASP   9           HB2      ASP   9  32.325 -16.328   1.011
   59    HB3  ASP   9           HB1      ASP   9  32.260 -16.541   2.759
   60    H    TYR  10           HN       TYR  10  33.058 -18.075   4.278
   61    HA   TYR  10           HA       TYR  10  35.788 -18.176   4.925
   62    HB2  TYR  10           HB2      TYR  10  34.106 -19.405   6.963
   63    HB3  TYR  10           HB1      TYR  10  35.071 -17.935   7.043
   64    HD1  TYR  10           HD1      TYR  10  33.965 -16.145   5.097
   65    HD2  TYR  10           HD2      TYR  10  31.915 -18.954   7.617
   66    HE1  TYR  10           HE1      TYR  10  31.898 -14.784   4.934
   67    HE2  TYR  10           HE2      TYR  10  29.837 -17.603   7.444
   68    HH   TYR  10           HH       TYR  10  29.396 -14.990   6.960
   69    H    SER  11           HN       SER  11  33.450 -20.666   4.306
   70    HA   SER  11           HA       SER  11  35.277 -22.777   5.144
   71    HB2  SER  11           HB2      SER  11  32.817 -22.822   5.616
   72    HB3  SER  11           HB1      SER  11  32.548 -22.997   3.884
   73    HG   SER  11           HG       SER  11  33.103 -25.019   4.043
   74    H    LYS  12           HN       LYS  12  34.244 -21.163   2.215
   75    HA   LYS  12           HA       LYS  12  36.106 -22.837   0.730
   76    HB2  LYS  12           HB2      LYS  12  34.516 -23.473  -0.970
   77    HB3  LYS  12           HB1      LYS  12  33.945 -24.012   0.604
   78    HG2  LYS  12           HG2      LYS  12  32.911 -21.419   0.282
   79    HG3  LYS  12           HG1      LYS  12  32.678 -22.215  -1.266
   80    HD2  LYS  12           HD2      LYS  12  31.806 -23.287   1.431
   81    HD3  LYS  12           HD1      LYS  12  30.745 -22.615   0.194
   82    HE2  LYS  12           HE2      LYS  12  32.015 -25.285   0.344
   83    HE3  LYS  12           HE1      LYS  12  30.509 -24.794  -0.425
   84    HZ1  LYS  12           HZ1      LYS  12  31.880 -25.332  -2.188
   85    HZ2  LYS  12           HZ2      LYS  12  33.257 -24.634  -1.482
   86    HZ3  LYS  12           HZ3      LYS  12  32.025 -23.646  -2.108
   87    H    LYS  13           HN       LYX  13  37.054 -20.580   0.939
   88    HA   LYS  13           HA       LYX  13  37.847 -18.721  -0.144
   89    HB2  LYS  13           HB2      LYX  13  36.225 -19.695  -2.492
   90    HB3  LYS  13           HB1      LYX  13  37.569 -18.564  -2.539
   91    HG2  LYS  13           HG2      LYX  13  39.011 -20.286  -2.713
   92    HG3  LYS  13           HG1      LYX  13  38.424 -20.940  -1.185
   93    HD2  LYS  13           HD2      LYX  13  38.128 -22.609  -2.938
   94    HD3  LYS  13           HD1      LYX  13  36.555 -22.036  -2.401
   95    HE2  LYS  13           HE2      LYX  13  37.804 -20.586  -4.688
   96    HE3  LYS  13           HE1      LYX  13  37.217 -22.212  -5.007
   97    HZ1  LYS  13           HZ1      LYX  13  35.567 -19.917  -4.172
   98    H    LEU  14           HN       LEU  14  35.511 -18.188  -2.440
   99    HA   LEU  14           HA       LEU  14  34.279 -16.086  -0.823
  100    HB2  LEU  14           HB2      LEU  14  35.603 -15.536  -2.956
  101    HB3  LEU  14           HB1      LEU  14  34.277 -16.287  -3.836
  102    HG   LEU  14           HG       LEU  14  32.694 -14.671  -2.808
  103   HD11  LEU  14          HD11      LEU  14  33.481 -13.874  -0.801
  104   HD12  LEU  14          HD12      LEU  14  34.120 -12.597  -1.833
  105   HD13  LEU  14          HD13      LEU  14  35.165 -13.922  -1.324
  106   HD21  LEU  14          HD21      LEU  14  34.547 -12.705  -3.815
  107   HD22  LEU  14          HD22      LEU  14  33.107 -13.365  -4.589
  108   HD23  LEU  14          HD23      LEU  14  34.661 -14.177  -4.778
  109    H    ASP  15           HN       ASP  15  31.949 -15.602  -1.449
  110    HA   ASP  15           HA       ASP  15  30.518 -18.159  -1.878
  111    HB2  ASP  15           HB2      ASP  15  30.213 -17.098   0.349
  112    HB3  ASP  15           HB1      ASP  15  29.553 -15.673  -0.449
  113    H    AIB  16           HN       AIB  16  30.039 -14.641  -2.322
  114   HB11  AIB  16          HB11      AIB  16  27.321 -15.774  -3.636
  115   HB12  AIB  16          HB12      AIB  16  27.900 -15.970  -5.291
  116   HB13  AIB  16          HB13      AIB  16  26.941 -14.554  -4.854
  117   HB21  AIB  16          HB21      AIB  16  28.599 -13.020  -2.639
  118   HB22  AIB  16          HB22      AIB  16  27.600 -12.850  -4.083
  119   HB23  AIB  16          HB23      AIB  16  29.299 -12.378  -4.126
  120    H    ARG  17           HN       ARG  17  31.049 -15.888  -4.713
  121    HA   ARG  17           HA       ARG  17  32.365 -14.332  -6.594
  122    HB2  ARG  17           HB2      ARG  17  32.923 -16.824  -7.519
  123    HB3  ARG  17           HB1      ARG  17  33.697 -16.112  -6.104
  124    HG2  ARG  17           HG2      ARG  17  32.283 -17.254  -4.606
  125    HG3  ARG  17           HG1      ARG  17  31.104 -17.614  -5.863
  126    HD2  ARG  17           HD2      ARG  17  32.287 -19.404  -6.652
  127    HD3  ARG  17           HD1      ARG  17  33.845 -18.656  -6.306
  128    HE   ARG  17           HE       ARG  17  33.830 -19.839  -4.329
  129   HH11  ARG  17          HH21      ARG  17  30.587 -19.249  -5.383
  130   HH12  ARG  17          HH22      ARG  17  29.858 -20.045  -4.031
  131   HH21  ARG  17          HH11      ARG  17  32.880 -20.873  -2.556
  132   HH22  ARG  17          HH12      ARG  17  31.156 -20.961  -2.431
  133    H    ARG  18           HN       ARG  18  30.008 -16.943  -7.219
  134    HA   ARG  18           HA       ARG  18  29.876 -16.493 -10.030
  135    HB2  ARG  18           HB2      ARG  18  27.700 -17.695  -8.305
  136    HB3  ARG  18           HB1      ARG  18  28.000 -17.993 -10.014
  137    HG2  ARG  18           HG2      ARG  18  29.215 -19.781  -9.355
  138    HG3  ARG  18           HG1      ARG  18  30.431 -18.625  -8.816
  139    HD2  ARG  18           HD2      ARG  18  30.014 -19.964  -6.912
  140    HD3  ARG  18           HD1      ARG  18  29.088 -18.495  -6.625
  141    HE   ARG  18           HE       ARG  18  27.645 -20.672  -7.922
  142   HH11  ARG  18          HH21      ARG  18  28.484 -18.994  -5.007
  143   HH12  ARG  18          HH22      ARG  18  27.139 -19.609  -4.108
  144   HH21  ARG  18          HH11      ARG  18  25.887 -21.485  -6.738
  145   HH22  ARG  18          HH12      ARG  18  25.672 -21.017  -5.085
  146    H    ALA  19           HN       ALA  19  29.152 -14.439  -7.657
  147    HA   ALA  19           HA       ALA  19  28.058 -12.399  -7.730
  148    HB1  ALA  19           HB1      ALA  19  26.383 -13.155 -10.073
  149    HB2  ALA  19           HB2      ALA  19  28.112 -12.952 -10.350
  150    HB3  ALA  19           HB3      ALA  19  27.161 -11.618  -9.695
  151    H    GLN  20           HN       GLN  20  25.995 -15.047  -8.891
  152    HA   GLN  20           HA       GLN  20  24.539 -15.717  -6.730
  153    HB2  GLN  20           HB2      GLN  20  23.747 -13.633  -6.075
  154    HB3  GLN  20           HB1      GLN  20  23.664 -13.025  -7.731
  155    HG2  GLN  20           HG2      GLN  20  21.857 -15.271  -6.855
  156    HG3  GLN  20           HG1      GLN  20  21.451 -13.607  -6.454
  157   HE21  GLN  20          HE21      GLN  20  19.560 -14.393  -8.032
  158   HE22  GLN  20          HE22      GLN  20  19.801 -14.021  -9.671
  159    H    ASP  21           HN       ASP  21  24.642 -14.821 -10.034
  160    HA   ASP  21           HA       ASP  21  22.362 -15.964 -11.129
  161    HB2  ASP  21           HB2      ASP  21  25.050 -15.228 -12.014
  162    HB3  ASP  21           HB1      ASP  21  24.371 -16.581 -12.926
  163    H    PHE  22           HN       PHE  22  24.776 -17.444  -9.317
  164    HA   PHE  22           HA       PHE  22  25.295 -19.882 -10.398
  165    HB2  PHE  22           HB2      PHE  22  25.876 -20.563  -8.295
  166    HB3  PHE  22           HB1      PHE  22  25.702 -18.841  -7.957
  167    HD1  PHE  22           HD2      PHE  22  24.015 -22.137  -7.758
  168    HD2  PHE  22           HD1      PHE  22  23.910 -18.001  -6.609
  169    HE1  PHE  22           HE2      PHE  22  22.203 -22.634  -6.147
  170    HE2  PHE  22           HE1      PHE  22  22.100 -18.493  -4.993
  171    HZ   PHE  22           HZ       PHE  22  21.242 -20.813  -4.759
  172    H    VAL  23           HN       VAL  23  22.244 -18.664  -9.262
  173    HA   VAL  23           HA       VAL  23  20.787 -21.007  -8.868
  174    HB   VAL  23           HB       VAL  23  19.611 -18.598 -10.241
  175   HG11  VAL  23          HG11      VAL  23  17.693 -19.172  -8.789
  176   HG12  VAL  23          HG12      VAL  23  18.618 -20.505  -8.102
  177   HG13  VAL  23          HG13      VAL  23  18.157 -20.539  -9.802
  178   HG21  VAL  23          HG21      VAL  23  20.559 -17.348  -8.592
  179   HG22  VAL  23          HG22      VAL  23  20.963 -18.764  -7.622
  180   HG23  VAL  23          HG23      VAL  23  19.335 -18.087  -7.560
  181    H    GLN  24           HN       GLN  24  21.543 -19.268 -11.852
  182    HA   GLN  24           HA       GLN  24  19.967 -20.958 -13.541
  183    HB2  GLN  24           HB2      GLN  24  22.304 -19.166 -14.258
  184    HB3  GLN  24           HB1      GLN  24  21.111 -19.834 -15.383
  185    HG2  GLN  24           HG2      GLN  24  19.365 -18.677 -13.821
  186    HG3  GLN  24           HG1      GLN  24  20.741 -17.722 -13.273
  187   HE21  GLN  24          HE21      GLN  24  21.132 -15.869 -14.487
  188   HE22  GLN  24          HE22      GLN  24  20.633 -15.635 -16.092
  189    H    TRP  25           HN       TRP  25  23.163 -21.091 -12.195
  190    HA   TRP  25           HA       TRP  25  24.667 -22.624 -13.844
  191    HB2  TRP  25           HB2      TRP  25  25.173 -21.949 -11.434
  192    HB3  TRP  25           HB1      TRP  25  24.323 -23.416 -10.951
  193    HD1  TRP  25           HD1      TRP  25  27.255 -22.348 -13.230
  194    HE1  TRP  25           HE1      TRP  25  28.972 -24.271 -13.287
  195    HE3  TRP  25           HE3      TRP  25  24.780 -25.826 -10.430
  196    HZ2  TRP  25           HZ2      TRP  25  29.257 -26.932 -12.279
  197    HZ3  TRP  25           HZ3      TRP  25  25.793 -28.044  -9.995
  198    HH2  TRP  25           HH2      TRP  25  28.028 -28.602 -10.914
  199    H    LEU  26           HN       LEU  26  22.762 -24.299 -11.345
  200    HA   LEU  26           HA       LEU  26  22.667 -26.683 -12.990
  201    HB2  LEU  26           HB2      LEU  26  21.217 -27.463 -10.940
  202    HB3  LEU  26           HB1      LEU  26  22.957 -27.263 -10.764
  203    HG   LEU  26           HG       LEU  26  22.663 -25.068  -9.766
  204   HD11  LEU  26          HD11      LEU  26  20.258 -24.328  -9.281
  205   HD12  LEU  26          HD12      LEU  26  19.761 -25.514 -10.486
  206   HD13  LEU  26          HD13      LEU  26  20.800 -24.167 -10.950
  207   HD21  LEU  26          HD21      LEU  26  20.572 -26.804  -8.460
  208   HD22  LEU  26          HD22      LEU  26  21.753 -25.741  -7.696
  209   HD23  LEU  26          HD23      LEU  26  22.277 -27.256  -8.431
  210    H    MET  27           HN       MET  27  21.296 -24.355 -14.023
  211    HA   MET  27           HA       MET  27  18.622 -25.550 -14.310
  212    HB2  MET  27           HB2      MET  27  19.183 -23.092 -12.948
  213    HB3  MET  27           HB1      MET  27  18.294 -22.736 -14.429
  214    HG2  MET  27           HG2      MET  27  16.609 -24.453 -13.802
  215    HG3  MET  27           HG1      MET  27  17.480 -24.731 -12.293
  216    HE1  MET  27           HE1      MET  27  16.625 -23.699 -10.177
  217    HE2  MET  27           HE2      MET  27  15.306 -24.401 -11.112
  218    HE3  MET  27           HE3      MET  27  15.074 -22.858 -10.294
  219    H    ASN  28           HN       ASN  28  20.152 -22.538 -15.439
  220    HA   ASN  28           HA       ASN  28  19.376 -23.187 -18.176
  221    HB2  ASN  28           HB2      ASN  28  19.336 -20.847 -16.877
  222    HB3  ASN  28           HB1      ASN  28  20.963 -20.751 -17.550
  223   HD21  ASN  28          HD21      ASN  28  20.920 -19.635 -19.499
  224   HD22  ASN  28          HD22      ASN  28  19.694 -19.760 -20.666
  225    H    THR  29           HN       THR  29  21.748 -24.321 -16.428
  226    HA   THR  29           HA       THR  29  23.505 -24.725 -18.672
  227    HB   THR  29           HB       THR  29  25.192 -23.716 -16.556
  228    HG1  THR  29           HG1      THR  29  24.474 -21.691 -16.414
  229   HG21  THR  29          HG21      THR  29  25.833 -24.061 -18.921
  230   HG22  THR  29          HG22      THR  29  26.101 -22.392 -18.415
  231   HG23  THR  29          HG23      THR  29  24.699 -22.799 -19.403
  232    H    GGL 101           HN2      LYX  13  33.192 -22.962  -5.910
  233    HA   GGL 101           HA2      LYX  13  34.278 -25.480  -5.546
  234    HB2  GGL 101           HI2      LYX  13  34.802 -24.417  -3.135
  235    HB3  GGL 101           HI1      LYX  13  35.624 -23.888  -4.600
  236    HG2  GGL 101           HH2      LYX  13  34.340 -22.198  -2.909
  237    HG3  GGL 101           HH1      LYX  13  33.044 -22.535  -4.032
  238    H    GGL 102           HN3      LYX  13  29.294 -25.217  -4.425
  239    HA   GGL 102           HA3      LYX  13  31.033 -23.657  -3.620
  240    HB2  GGL 102           HJ2      LYX  13  29.574 -22.287  -5.880
  241    HB3  GGL 102           HJ1      LYX  13  31.297 -22.272  -5.549
  242    HG2  GGL 102           HK2      LYX  13  30.090 -23.875  -7.392
  243    HG3  GGL 102           HK1      LYX  13  30.120 -24.961  -6.012
  244    H21  PLM 103           H22      LYX  13  28.639 -25.375  -1.730
  245    H22  PLM 103           H21      LYX  13  28.252 -23.713  -1.290
  246    H31  PLM 103           H32      LYX  13  25.809 -24.397  -1.988
  247    H32  PLM 103           H31      LYX  13  26.398 -26.038  -1.729
  248    H41  PLM 103           H41      LYX  13  26.528 -23.785   0.300
  249    H42  PLM 103           H42      LYX  13  25.372 -25.116   0.330
  250    H51  PLM 103           H51      LYX  13  28.388 -25.306   0.601
  251    H52  PLM 103           H52      LYX  13  27.331 -26.705   0.411
  252    H61  PLM 103           H62      LYX  13  27.299 -24.686   2.672
  253    H62  PLM 103           H61      LYX  13  26.059 -25.919   2.443
  254    H71  PLM 103           H72      LYX  13  28.953 -26.727   2.509
  255    H72  PLM 103           H71      LYX  13  27.524 -27.672   2.931
  256    H81  PLM 103           H82      LYX  13  28.792 -25.429   4.522
  257    H82  PLM 103           H81      LYX  13  27.187 -26.065   4.880
  258    H91  PLM 103           H91      LYX  13  29.464 -27.994   4.585
  259    H92  PLM 103           H92      LYX  13  28.008 -28.128   5.570
  260    HA1  PLM 103          H102      LYX  13  30.312 -26.225   6.108
  261    HA2  PLM 103          H101      LYX  13  30.025 -27.738   6.962
  262    HB1  PLM 103          H111      LYX  13  28.163 -25.347   6.889
  263    HB2  PLM 103          H112      LYX  13  27.796 -26.881   7.675
  264    HC1  PLM 103          H122      LYX  13  30.152 -25.090   8.350
  265    HC2  PLM 103          H121      LYX  13  29.742 -26.605   9.155
  266    HD1  PLM 103          H132      LYX  13  27.443 -24.832   9.062
  267    HD2  PLM 103          H131      LYX  13  28.218 -25.575  10.462
  268    HE1  PLM 103          H142      LYX  13  29.195 -23.072   9.054
  269    HE2  PLM 103          H141      LYX  13  29.915 -23.799  10.488
  270    HF1  PLM 103          H151      LYX  13  27.040 -22.850  10.360
  271    HF2  PLM 103          H152      LYX  13  27.933 -23.356  11.794
  272    HG1  PLM 103          H162      LYX  13  28.794 -21.011  10.078
  273    HG2  PLM 103          H163      LYX  13  27.720 -20.834  11.464
  274    HG3  PLM 103          H161      LYX  13  29.363 -21.436  11.691
  Start of MODEL    3
    1    H1   HIS   1           HT1      HIS   1  24.477 -29.996   7.722
    2    H2   HIS   1           HT2      HIS   1  25.893 -30.865   7.364
    3    H3   HIS   1           HT3      HIS   1  24.408 -31.343   6.693
    4    HA   HIS   1           HA       HIS   1  25.931 -30.103   5.141
    5    HB2  HIS   1           HB2      HIS   1  24.149 -28.903   4.116
    6    HB3  HIS   1           HB1      HIS   1  23.399 -30.303   4.899
    7    HD2  HIS   1           HD2      HIS   1  22.709 -26.659   4.682
    8    HE1  HIS   1           HE1      HIS   1  21.429 -27.680   8.571
    9    HE2  HIS   1           HE2      HIS   1  21.360 -25.882   6.775
   10    H    AIB   2           HN       AIB   2  26.274 -27.956   4.372
   11   HB11  AIB   2          HB11      AIB   2  28.708 -25.294   5.714
   12   HB12  AIB   2          HB12      AIB   2  28.840 -26.966   5.149
   13   HB13  AIB   2          HB13      AIB   2  28.464 -26.631   6.842
   14   HB21  AIB   2          HB21      AIB   2  25.066 -25.875   6.608
   15   HB22  AIB   2          HB22      AIB   2  26.143 -24.488   6.434
   16   HB23  AIB   2          HB23      AIB   2  26.551 -25.785   7.560
   17    H    GLN   3           HN       GLN   3  24.737 -25.885   4.377
   18    HA   GLN   3           HA       GLN   3  24.816 -25.336   1.885
   19    HB2  GLN   3           HB2      GLN   3  23.633 -23.031   2.490
   20    HB3  GLN   3           HB1      GLN   3  22.855 -24.582   2.781
   21    HG2  GLN   3           HG2      GLN   3  23.710 -24.591   5.072
   22    HG3  GLN   3           HG1      GLN   3  24.529 -23.077   4.777
   23   HE21  GLN   3          HE21      GLN   3  21.323 -23.716   3.460
   24   HE22  GLN   3          HE22      GLN   3  20.491 -22.642   4.478
   25    H    GLY   4           HN       GLY   4  26.186 -23.337   4.201
   26    HA2  GLY   4           HA2      GLY   4  27.929 -21.805   4.198
   27    HA3  GLY   4           HA1      GLY   4  28.299 -22.335   2.558
   28    H    THR   5           HN       THR   5  25.114 -21.561   2.651
   29    HA   THR   5           HA       THR   5  25.108 -19.461   0.933
   30    HB   THR   5           HB       THR   5  22.975 -20.091   1.312
   31    HG1  THR   5           HG1      THR   5  22.634 -18.016   1.515
   32   HG21  THR   5          HG21      THR   5  23.882 -21.100   3.756
   33   HG22  THR   5          HG22      THR   5  22.265 -21.229   3.083
   34   HG23  THR   5          HG23      THR   5  22.650 -19.909   4.174
   35    H    PHE   6           HN       PHE   6  25.844 -19.566   4.158
   36    HA   PHE   6           HA       PHE   6  26.264 -16.670   4.245
   37    HB2  PHE   6           HB2      PHE   6  25.934 -16.819   6.618
   38    HB3  PHE   6           HB1      PHE   6  24.576 -17.554   5.748
   39    HD1  PHE   6           HD2      PHE   6  24.412 -19.967   5.584
   40    HD2  PHE   6           HD1      PHE   6  27.311 -18.134   8.118
   41    HE1  PHE   6           HE2      PHE   6  24.637 -22.081   6.792
   42    HE2  PHE   6           HE1      PHE   6  27.538 -20.261   9.383
   43    HZ   PHE   6           HZ       PHE   6  26.200 -22.248   8.719
   44    H    THR   7           HN       THR   7  27.506 -19.512   5.802
   45    HA   THR   7           HA       THR   7  30.083 -18.301   6.184
   46    HB   THR   7           HB       THR   7  29.297 -19.720   7.933
   47    HG1  THR   7           HG1      THR   7  31.135 -20.849   8.189
   48   HG21  THR   7          HG21      THR   7  27.939 -21.120   6.374
   49   HG22  THR   7          HG22      THR   7  28.807 -22.021   7.609
   50   HG23  THR   7          HG23      THR   7  29.422 -21.964   5.958
   51    H    SER   8           HN       SER   8  28.894 -19.394   3.476
   52    HA   SER   8           HA       SER   8  30.471 -21.327   2.379
   53    HB2  SER   8           HB2      SER   8  30.507 -19.728   0.281
   54    HB3  SER   8           HB1      SER   8  29.010 -20.500   0.800
   55    HG   SER   8           HG       SER   8  29.031 -18.423   2.236
   56    H    ASP   9           HN       ASP   9  31.278 -18.103   1.613
   57    HA   ASP   9           HA       ASP   9  33.739 -18.080   0.772
   58    HB2  ASP   9           HB2      ASP   9  32.806 -16.015   1.143
   59    HB3  ASP   9           HB1      ASP   9  32.449 -16.372   2.834
   60    H    TYR  10           HN       TYR  10  33.187 -18.285   4.336
   61    HA   TYR  10           HA       TYR  10  35.982 -18.683   4.868
   62    HB2  TYR  10           HB2      TYR  10  34.039 -19.662   6.868
   63    HB3  TYR  10           HB1      TYR  10  35.413 -18.580   7.072
   64    HD1  TYR  10           HD1      TYR  10  34.844 -16.406   5.183
   65    HD2  TYR  10           HD2      TYR  10  32.178 -18.572   7.762
   66    HE1  TYR  10           HE1      TYR  10  33.292 -14.469   5.220
   67    HE2  TYR  10           HE2      TYR  10  30.623 -16.669   7.781
   68    HH   TYR  10           HH       TYR  10  30.137 -14.673   6.823
   69    H    SER  11           HN       SER  11  33.146 -20.696   4.576
   70    HA   SER  11           HA       SER  11  34.750 -23.152   4.824
   71    HB2  SER  11           HB2      SER  11  32.436 -22.514   6.015
   72    HB3  SER  11           HB1      SER  11  31.791 -23.182   4.518
   73    HG   SER  11           HG       SER  11  32.604 -24.520   6.595
   74    H    LYS  12           HN       LYS  12  35.011 -21.549   2.460
   75    HA   LYS  12           HA       LYS  12  34.377 -23.503   0.466
   76    HB2  LYS  12           HB2      LYS  12  32.194 -22.281   0.808
   77    HB3  LYS  12           HB1      LYS  12  33.008 -20.816   0.273
   78    HG2  LYS  12           HG2      LYS  12  31.825 -21.798  -1.592
   79    HG3  LYS  12           HG1      LYS  12  33.552 -21.904  -1.870
   80    HD2  LYS  12           HD2      LYS  12  33.600 -24.204  -1.585
   81    HD3  LYS  12           HD1      LYS  12  32.218 -24.195  -0.494
   82    HE2  LYS  12           HE2      LYS  12  31.528 -25.215  -2.576
   83    HE3  LYS  12           HE1      LYS  12  30.757 -23.634  -2.474
   84    HZ1  LYS  12           HZ1      LYS  12  31.651 -23.770  -4.621
   85    HZ2  LYS  12           HZ2      LYS  12  33.120 -24.421  -4.072
   86    HZ3  LYS  12           HZ3      LYS  12  32.740 -22.794  -3.762
   87    H    LYS  13           HN       LYX  13  34.555 -19.980   0.197
   88    HA   LYS  13           HA       LYX  13  37.327 -19.858  -0.507
   89    HB2  LYS  13           HB2      LYX  13  35.244 -20.092  -2.641
   90    HB3  LYS  13           HB1      LYX  13  36.493 -18.879  -2.873
   91    HG2  LYS  13           HG2      LYX  13  37.783 -20.507  -3.734
   92    HG3  LYS  13           HG1      LYX  13  37.917 -21.196  -2.124
   93    HD2  LYS  13           HD2      LYX  13  37.132 -22.986  -3.406
   94    HD3  LYS  13           HD1      LYX  13  35.646 -22.351  -2.712
   95    HE2  LYS  13           HE2      LYX  13  36.632 -22.236  -5.508
   96    HE3  LYS  13           HE1      LYX  13  34.996 -22.398  -4.891
   97    HZ1  LYS  13           HZ1      LYX  13  36.209 -19.806  -4.417
   98    H    LEU  14           HN       LEU  14  34.798 -18.083  -2.127
   99    HA   LEU  14           HA       LEU  14  34.984 -15.888  -0.235
  100    HB2  LEU  14           HB2      LEU  14  36.785 -15.505  -1.906
  101    HB3  LEU  14           HB1      LEU  14  35.565 -15.512  -3.179
  102    HG   LEU  14           HG       LEU  14  34.931 -13.697  -0.946
  103   HD11  LEU  14          HD11      LEU  14  37.263 -13.238  -0.848
  104   HD12  LEU  14          HD12      LEU  14  36.592 -11.983  -1.890
  105   HD13  LEU  14          HD13      LEU  14  37.437 -13.359  -2.599
  106   HD21  LEU  14          HD21      LEU  14  34.205 -12.300  -2.721
  107   HD22  LEU  14          HD22      LEU  14  33.839 -13.938  -3.259
  108   HD23  LEU  14          HD23      LEU  14  35.257 -13.097  -3.885
  109    H    ASP  15           HN       ASP  15  33.201 -14.427  -0.366
  110    HA   ASP  15           HA       ASP  15  30.908 -15.538  -1.862
  111    HB2  ASP  15           HB2      ASP  15  31.195 -14.143   0.760
  112    HB3  ASP  15           HB1      ASP  15  29.690 -13.945  -0.136
  113    H    AIB  16           HN       AIB  16  32.645 -12.545  -1.153
  114   HB11  AIB  16          HB11      AIB  16  30.011 -10.999  -1.492
  115   HB12  AIB  16          HB12      AIB  16  29.859 -10.818  -3.239
  116   HB13  AIB  16          HB13      AIB  16  30.530  -9.505  -2.273
  117   HB21  AIB  16          HB21      AIB  16  33.328 -10.594  -1.092
  118   HB22  AIB  16          HB22      AIB  16  32.383  -9.249  -1.731
  119   HB23  AIB  16          HB23      AIB  16  33.653  -9.978  -2.713
  120    H    ARG  17           HN       ARG  17  32.236 -13.338  -3.857
  121    HA   ARG  17           HA       ARG  17  33.239 -12.110  -6.271
  122    HB2  ARG  17           HB2      ARG  17  33.320 -14.449  -7.124
  123    HB3  ARG  17           HB1      ARG  17  34.177 -14.245  -5.599
  124    HG2  ARG  17           HG2      ARG  17  32.133 -15.056  -4.403
  125    HG3  ARG  17           HG1      ARG  17  31.395 -15.378  -5.969
  126    HD2  ARG  17           HD2      ARG  17  33.723 -16.750  -4.661
  127    HD3  ARG  17           HD1      ARG  17  32.313 -17.459  -5.446
  128    HE   ARG  17           HE       ARG  17  34.773 -16.680  -6.723
  129   HH11  ARG  17          HH21      ARG  17  31.355 -17.075  -7.090
  130   HH12  ARG  17          HH22      ARG  17  31.427 -17.313  -8.804
  131   HH21  ARG  17          HH11      ARG  17  34.876 -16.993  -8.970
  132   HH22  ARG  17          HH12      ARG  17  33.421 -17.267  -9.869
  133    H    ARG  18           HN       ARG  18  30.266 -13.685  -5.200
  134    HA   ARG  18           HA       ARG  18  28.997 -13.622  -7.776
  135    HB2  ARG  18           HB2      ARG  18  27.790 -13.884  -5.006
  136    HB3  ARG  18           HB1      ARG  18  26.952 -14.203  -6.525
  137    HG2  ARG  18           HG2      ARG  18  27.662 -16.339  -6.256
  138    HG3  ARG  18           HG1      ARG  18  29.230 -15.734  -6.784
  139    HD2  ARG  18           HD2      ARG  18  29.608 -16.903  -4.724
  140    HD3  ARG  18           HD1      ARG  18  29.717 -15.183  -4.355
  141    HE   ARG  18           HE       ARG  18  27.125 -15.694  -3.830
  142   HH11  ARG  18          HH21      ARG  18  30.065 -17.323  -3.001
  143   HH12  ARG  18          HH22      ARG  18  29.455 -17.952  -1.508
  144   HH21  ARG  18          HH11      ARG  18  26.322 -16.517  -1.872
  145   HH22  ARG  18          HH12      ARG  18  27.338 -17.497  -0.868
  146    H    ALA  19           HN       ALA  19  30.086 -11.146  -6.152
  147    HA   ALA  19           HA       ALA  19  29.624  -8.886  -6.309
  148    HB1  ALA  19           HB1      ALA  19  26.884  -9.298  -7.385
  149    HB2  ALA  19           HB2      ALA  19  28.228  -9.816  -8.405
  150    HB3  ALA  19           HB3      ALA  19  28.122  -8.139  -7.867
  151    H    GLN  20           HN       GLN  20  26.734 -10.808  -5.604
  152    HA   GLN  20           HA       GLN  20  26.186 -10.835  -3.101
  153    HB2  GLN  20           HB2      GLN  20  26.918  -8.639  -2.493
  154    HB3  GLN  20           HB1      GLN  20  25.963  -7.890  -3.779
  155    HG2  GLN  20           HG2      GLN  20  24.052  -7.944  -2.534
  156    HG3  GLN  20           HG1      GLN  20  24.411  -9.540  -1.873
  157   HE21  GLN  20          HE21      GLN  20  25.200  -6.068  -1.501
  158   HE22  GLN  20          HE22      GLN  20  25.711  -6.203   0.111
  159    H    ASP  21           HN       ASP  21  25.061 -12.141  -4.872
  160    HA   ASP  21           HA       ASP  21  22.251 -11.387  -4.867
  161    HB2  ASP  21           HB2      ASP  21  24.005 -11.175  -7.212
  162    HB3  ASP  21           HB1      ASP  21  22.572 -12.166  -7.500
  163    H    PHE  22           HN       PHE  22  24.645 -13.628  -6.197
  164    HA   PHE  22           HA       PHE  22  24.323 -15.881  -6.779
  165    HB2  PHE  22           HB2      PHE  22  24.552 -17.191  -4.676
  166    HB3  PHE  22           HB1      PHE  22  25.691 -15.863  -4.820
  167    HD1  PHE  22           HD2      PHE  22  24.841 -13.554  -3.760
  168    HD2  PHE  22           HD1      PHE  22  23.398 -17.448  -2.670
  169    HE1  PHE  22           HE2      PHE  22  23.982 -12.644  -1.629
  170    HE2  PHE  22           HE1      PHE  22  22.550 -16.548  -0.550
  171    HZ   PHE  22           HZ       PHE  22  22.848 -14.142  -0.007
  172    H    VAL  23           HN       VAL  23  22.812 -17.168  -4.201
  173    HA   VAL  23           HA       VAL  23  20.351 -17.544  -5.718
  174    HB   VAL  23           HB       VAL  23  20.172 -19.620  -4.772
  175   HG11  VAL  23          HG11      VAL  23  22.546 -19.143  -5.750
  176   HG12  VAL  23          HG12      VAL  23  22.277 -20.637  -4.852
  177   HG13  VAL  23          HG13      VAL  23  23.074 -19.271  -4.073
  178   HG21  VAL  23          HG21      VAL  23  19.851 -19.318  -2.483
  179   HG22  VAL  23          HG22      VAL  23  21.291 -18.317  -2.299
  180   HG23  VAL  23          HG23      VAL  23  21.447 -20.058  -2.486
  181    H    GLN  24           HN       GLN  24  20.982 -15.111  -3.960
  182    HA   GLN  24           HA       GLN  24  18.618 -15.353  -2.177
  183    HB2  GLN  24           HB2      GLN  24  20.648 -14.943  -0.900
  184    HB3  GLN  24           HB1      GLN  24  21.034 -13.551  -1.925
  185    HG2  GLN  24           HG2      GLN  24  19.435 -12.223  -0.959
  186    HG3  GLN  24           HG1      GLN  24  18.342 -13.572  -0.662
  187   HE21  GLN  24          HE21      GLN  24  19.823 -15.298   0.901
  188   HE22  GLN  24          HE22      GLN  24  20.319 -14.532   2.331
  189    H    TRP  25           HN       TRP  25  19.993 -13.806  -4.890
  190    HA   TRP  25           HA       TRP  25  18.165 -11.517  -4.700
  191    HB2  TRP  25           HB2      TRP  25  20.126 -10.674  -5.486
  192    HB3  TRP  25           HB1      TRP  25  20.586 -12.185  -6.275
  193    HD1  TRP  25           HD1      TRP  25  18.697  -8.953  -6.842
  194    HE1  TRP  25           HE1      TRP  25  18.019  -8.790  -9.324
  195    HE3  TRP  25           HE3      TRP  25  19.949 -13.648  -8.412
  196    HZ2  TRP  25           HZ2      TRP  25  18.009 -10.432 -11.666
  197    HZ3  TRP  25           HZ3      TRP  25  19.596 -14.321 -10.771
  198    HH2  TRP  25           HH2      TRP  25  18.628 -12.721 -12.399
  199    H    LEU  26           HN       LEU  26  18.196 -14.641  -6.016
  200    HA   LEU  26           HA       LEU  26  16.449 -13.970  -8.256
  201    HB2  LEU  26           HB2      LEU  26  16.396 -16.667  -8.210
  202    HB3  LEU  26           HB1      LEU  26  17.663 -15.740  -9.008
  203    HG   LEU  26           HG       LEU  26  19.059 -15.889  -6.973
  204   HD11  LEU  26          HD11      LEU  26  18.057 -17.823  -5.380
  205   HD12  LEU  26          HD12      LEU  26  16.547 -17.089  -5.908
  206   HD13  LEU  26          HD13      LEU  26  17.760 -16.110  -5.083
  207   HD21  LEU  26          HD21      LEU  26  18.731 -18.674  -7.047
  208   HD22  LEU  26          HD22      LEU  26  19.815 -17.714  -8.054
  209   HD23  LEU  26          HD23      LEU  26  18.197 -18.113  -8.631
  210    H    MET  27           HN       MET  27  16.036 -14.246  -5.029
  211    HA   MET  27           HA       MET  27  13.276 -15.281  -5.319
  212    HB2  MET  27           HB2      MET  27  14.633 -16.836  -4.008
  213    HB3  MET  27           HB1      MET  27  15.129 -15.524  -2.937
  214    HG2  MET  27           HG2      MET  27  13.078 -15.415  -1.894
  215    HG3  MET  27           HG1      MET  27  12.200 -15.929  -3.334
  216    HE1  MET  27           HE1      MET  27  12.042 -18.377   0.003
  217    HE2  MET  27           HE2      MET  27  11.171 -17.068  -0.792
  218    HE3  MET  27           HE3      MET  27  12.699 -16.735   0.020
  219    H    ASN  28           HN       ASN  28  15.276 -13.340  -3.081
  220    HA   ASN  28           HA       ASN  28  13.234 -11.891  -1.887
  221    HB2  ASN  28           HB2      ASN  28  15.294 -11.574  -0.875
  222    HB3  ASN  28           HB1      ASN  28  16.130 -11.340  -2.409
  223   HD21  ASN  28          HD21      ASN  28  14.622  -9.695   0.220
  224   HD22  ASN  28          HD22      ASN  28  14.664  -8.136  -0.448
  225    H    THR  29           HN       THR  29  14.378 -11.731  -5.111
  226    HA   THR  29           HA       THR  29  12.588  -9.458  -5.629
  227    HB   THR  29           HB       THR  29  15.355  -9.635  -6.830
  228    HG1  THR  29           HG1      THR  29  14.446  -8.623  -4.442
  229   HG21  THR  29          HG21      THR  29  13.289  -7.420  -6.745
  230   HG22  THR  29          HG22      THR  29  13.636  -8.436  -8.143
  231   HG23  THR  29          HG23      THR  29  14.866  -7.334  -7.529
  232    H    GGL 101           HN2      LYX  13  31.393 -23.333  -6.550
  233    HA   GGL 101           HA2      LYX  13  31.182 -20.454  -6.825
  234    HB2  GGL 101           HI2      LYX  13  32.791 -21.884  -5.307
  235    HB3  GGL 101           HI1      LYX  13  33.783 -21.941  -6.763
  236    HG2  GGL 101           HH2      LYX  13  33.229 -19.700  -4.945
  237    HG3  GGL 101           HH1      LYX  13  33.130 -19.290  -6.657
  238    H    GGL 102           HN3      LYX  13  28.873 -23.509  -3.444
  239    HA   GGL 102           HA3      LYX  13  29.746 -21.334  -2.438
  240    HB2  GGL 102           HJ2      LYX  13  30.511 -20.458  -4.581
  241    HB3  GGL 102           HJ1      LYX  13  30.628 -22.218  -4.540
  242    HG2  GGL 102           HK2      LYX  13  28.932 -20.495  -6.207
  243    HG3  GGL 102           HK1      LYX  13  28.071 -21.830  -5.449
  244    H21  PLM 103           H22      LYX  13  26.370 -24.632  -2.378
  245    H22  PLM 103           H21      LYX  13  27.273 -23.718  -1.172
  246    H31  PLM 103           H32      LYX  13  25.443 -22.259  -0.753
  247    H32  PLM 103           H31      LYX  13  24.600 -22.767  -2.215
  248    H41  PLM 103           H41      LYX  13  25.194 -24.990  -0.386
  249    H42  PLM 103           H42      LYX  13  24.131 -23.770   0.318
  250    H51  PLM 103           H51      LYX  13  23.707 -25.123  -2.367
  251    H52  PLM 103           H52      LYX  13  22.638 -23.926  -1.635
  252    H61  PLM 103           H62      LYX  13  22.164 -26.525  -1.350
  253    H62  PLM 103           H61      LYX  13  23.339 -26.368  -0.047
  254    H71  PLM 103           H72      LYX  13  21.855 -24.243   0.562
  255    H72  PLM 103           H71      LYX  13  21.399 -25.855   1.109
  256    H81  PLM 103           H82      LYX  13  20.374 -24.495  -1.402
  257    H82  PLM 103           H81      LYX  13  19.914 -26.104  -0.847
  258    H91  PLM 103           H91      LYX  13  19.335 -24.783   1.390
  259    H92  PLM 103           H92      LYX  13  18.180 -24.862   0.060
  260    HA1  PLM 103          H102      LYX  13  18.562 -22.668  -0.585
  261    HA2  PLM 103          H101      LYX  13  20.207 -22.656   0.051
  262    HB1  PLM 103          H111      LYX  13  17.665 -22.641   1.708
  263    HB2  PLM 103          H112      LYX  13  19.305 -22.656   2.357
  264    HC1  PLM 103          H122      LYX  13  18.050 -20.485   0.653
  265    HC2  PLM 103          H121      LYX  13  19.749 -20.518   1.121
  266    HD1  PLM 103          H132      LYX  13  17.954 -19.197   2.576
  267    HD2  PLM 103          H131      LYX  13  17.674 -20.795   3.265
  268    HE1  PLM 103          H142      LYX  13  20.379 -19.428   3.080
  269    HE2  PLM 103          H141      LYX  13  20.058 -20.994   3.821
  270    HF1  PLM 103          H151      LYX  13  18.930 -18.326   4.717
  271    HF2  PLM 103          H152      LYX  13  18.515 -19.886   5.429
  272    HG1  PLM 103          H162      LYX  13  21.209 -18.505   5.422
  273    HG2  PLM 103          H163      LYX  13  20.235 -18.969   6.818
  274    HG3  PLM 103          H161      LYX  13  21.018 -20.209   5.836
  Start of MODEL    4
    1    H1   HIS   1           HT1      HIS   1  25.584 -30.227   7.451
    2    H2   HIS   1           HT2      HIS   1  26.466 -31.352   6.536
    3    H3   HIS   1           HT3      HIS   1  24.771 -31.311   6.434
    4    HA   HIS   1           HA       HIS   1  26.349 -30.138   4.648
    5    HB2  HIS   1           HB2      HIS   1  24.438 -28.934   3.919
    6    HB3  HIS   1           HB1      HIS   1  23.803 -30.393   4.695
    7    HD2  HIS   1           HD2      HIS   1  23.028 -26.766   4.785
    8    HE1  HIS   1           HE1      HIS   1  22.258 -28.037   8.734
    9    HE2  HIS   1           HE2      HIS   1  21.932 -26.143   7.069
   10    H    AIB   2           HN       AIB   2  26.529 -27.921   4.020
   11   HB11  AIB   2          HB11      AIB   2  29.146 -26.897   4.559
   12   HB12  AIB   2          HB12      AIB   2  28.972 -26.717   6.308
   13   HB13  AIB   2          HB13      AIB   2  29.037 -25.283   5.272
   14   HB21  AIB   2          HB21      AIB   2  25.552 -26.072   6.548
   15   HB22  AIB   2          HB22      AIB   2  26.562 -24.639   6.364
   16   HB23  AIB   2          HB23      AIB   2  27.140 -26.005   7.318
   17    H    GLN   3           HN       GLN   3  24.950 -25.923   4.379
   18    HA   GLN   3           HA       GLN   3  24.707 -25.182   1.943
   19    HB2  GLN   3           HB2      GLN   3  23.564 -22.965   2.849
   20    HB3  GLN   3           HB1      GLN   3  22.856 -24.553   3.110
   21    HG2  GLN   3           HG2      GLN   3  23.980 -24.697   5.281
   22    HG3  GLN   3           HG1      GLN   3  24.701 -23.126   5.015
   23   HE21  GLN   3          HE21      GLN   3  21.366 -24.083   4.187
   24   HE22  GLN   3          HE22      GLN   3  20.614 -23.023   5.280
   25    H    GLY   4           HN       GLY   4  26.297 -23.299   4.221
   26    HA2  GLY   4           HA2      GLY   4  27.971 -21.690   4.111
   27    HA3  GLY   4           HA1      GLY   4  28.179 -22.129   2.418
   28    H    THR   5           HN       THR   5  25.001 -21.501   2.939
   29    HA   THR   5           HA       THR   5  24.694 -19.348   1.316
   30    HB   THR   5           HB       THR   5  22.764 -20.440   2.029
   31    HG1  THR   5           HG1      THR   5  21.869 -18.532   3.465
   32   HG21  THR   5          HG21      THR   5  23.847 -21.148   4.251
   33   HG22  THR   5          HG22      THR   5  22.112 -20.850   4.231
   34   HG23  THR   5          HG23      THR   5  23.194 -19.621   4.859
   35    H    PHE   6           HN       PHE   6  25.978 -19.523   4.343
   36    HA   PHE   6           HA       PHE   6  26.169 -16.606   4.530
   37    HB2  PHE   6           HB2      PHE   6  26.202 -16.835   6.910
   38    HB3  PHE   6           HB1      PHE   6  24.789 -17.662   6.240
   39    HD1  PHE   6           HD1      PHE   6  25.086 -20.162   5.780
   40    HD2  PHE   6           HD2      PHE   6  27.601 -17.974   8.426
   41    HE1  PHE   6           HE1      PHE   6  25.646 -22.257   6.893
   42    HE2  PHE   6           HE2      PHE   6  28.205 -20.086   9.585
   43    HZ   PHE   6           HZ       PHE   6  27.224 -22.240   8.827
   44    H    THR   7           HN       THR   7  27.799 -19.392   5.790
   45    HA   THR   7           HA       THR   7  30.357 -18.058   5.793
   46    HB   THR   7           HB       THR   7  29.805 -19.563   7.614
   47    HG1  THR   7           HG1      THR   7  31.696 -20.877   7.446
   48   HG21  THR   7          HG21      THR   7  28.394 -21.013   6.203
   49   HG22  THR   7          HG22      THR   7  29.495 -21.910   7.236
   50   HG23  THR   7          HG23      THR   7  29.848 -21.713   5.518
   51    H    SER   8           HN       SER   8  28.845 -19.032   3.250
   52    HA   SER   8           HA       SER   8  30.272 -21.010   1.996
   53    HB2  SER   8           HB2      SER   8  28.822 -18.631   0.968
   54    HB3  SER   8           HB1      SER   8  29.862 -19.508  -0.150
   55    HG   SER   8           HG       SER   8  28.695 -21.368   0.267
   56    H    ASP   9           HN       ASP   9  31.532 -18.242   3.158
   57    HA   ASP   9           HA       ASP   9  33.708 -18.139   1.198
   58    HB2  ASP   9           HB2      ASP   9  32.667 -16.043   1.702
   59    HB3  ASP   9           HB1      ASP   9  32.859 -16.311   3.434
   60    H    TYR  10           HN       TYR  10  33.125 -18.419   4.694
   61    HA   TYR  10           HA       TYR  10  35.909 -18.996   5.239
   62    HB2  TYR  10           HB2      TYR  10  34.031 -19.695   7.357
   63    HB3  TYR  10           HB1      TYR  10  35.381 -18.567   7.387
   64    HD1  TYR  10           HD2      TYR  10  34.637 -16.590   5.331
   65    HD2  TYR  10           HD1      TYR  10  32.196 -18.575   8.254
   66    HE1  TYR  10           HE2      TYR  10  33.036 -14.697   5.283
   67    HE2  TYR  10           HE1      TYR  10  30.595 -16.696   8.204
   68    HH   TYR  10           HH       TYR  10  30.281 -14.602   5.934
   69    H    SER  11           HN       SER  11  33.901 -20.745   3.593
   70    HA   SER  11           HA       SER  11  34.772 -23.292   4.808
   71    HB2  SER  11           HB2      SER  11  32.031 -22.373   4.182
   72    HB3  SER  11           HB1      SER  11  32.424 -24.013   3.669
   73    HG   SER  11           HG       SER  11  31.616 -23.676   5.907
   74    H    LYS  12           HN       LYS  12  33.806 -21.483   1.953
   75    HA   LYS  12           HA       LYS  12  34.864 -23.636   0.225
   76    HB2  LYS  12           HB2      LYS  12  33.404 -21.266  -0.863
   77    HB3  LYS  12           HB1      LYS  12  33.447 -22.913  -1.464
   78    HG2  LYS  12           HG2      LYS  12  32.071 -22.157   1.129
   79    HG3  LYS  12           HG1      LYS  12  31.249 -22.155  -0.417
   80    HD2  LYS  12           HD2      LYS  12  32.253 -24.617  -0.573
   81    HD3  LYS  12           HD1      LYS  12  32.268 -24.464   1.183
   82    HE2  LYS  12           HE2      LYS  12  30.136 -25.378   0.628
   83    HE3  LYS  12           HE1      LYS  12  29.853 -23.678   1.000
   84    HZ1  LYS  12           HZ1      LYS  12  29.671 -25.075  -1.539
   85    HZ2  LYS  12           HZ2      LYS  12  30.355 -23.520  -1.595
   86    HZ3  LYS  12           HZ3      LYS  12  28.795 -23.742  -0.965
   87    H    LYS  13           HN       LYX  13  34.750 -20.109   0.510
   88    HA   LYS  13           HA       LYX  13  37.365 -19.401   0.433
   89    HB2  LYS  13           HB2      LYX  13  37.593 -18.823  -2.076
   90    HB3  LYS  13           HB1      LYX  13  37.949 -20.477  -1.582
   91    HG2  LYS  13           HG2      LYX  13  36.216 -21.324  -2.774
   92    HG3  LYS  13           HG1      LYX  13  35.113 -20.078  -2.197
   93    HD2  LYS  13           HD2      LYX  13  36.302 -18.484  -3.855
   94    HD3  LYS  13           HD1      LYX  13  37.030 -19.932  -4.540
   95    HE2  LYS  13           HE2      LYX  13  34.072 -19.920  -4.168
   96    HE3  LYS  13           HE1      LYX  13  34.735 -18.927  -5.457
   97    HZ1  LYS  13           HZ1      LYX  13  34.949 -20.898  -6.625
   98    H    LEU  14           HN       LEU  14  35.484 -18.377  -2.302
   99    HA   LEU  14           HA       LEU  14  34.989 -15.814  -1.004
  100    HB2  LEU  14           HB2      LEU  14  36.195 -15.698  -3.136
  101    HB3  LEU  14           HB1      LEU  14  34.909 -16.608  -3.926
  102    HG   LEU  14           HG       LEU  14  33.303 -14.791  -3.416
  103   HD11  LEU  14          HD11      LEU  14  35.677 -13.766  -1.921
  104   HD12  LEU  14          HD12      LEU  14  33.965 -13.653  -1.519
  105   HD13  LEU  14          HD13      LEU  14  34.658 -12.579  -2.734
  106   HD21  LEU  14          HD21      LEU  14  34.299 -13.084  -4.930
  107   HD22  LEU  14          HD22      LEU  14  34.493 -14.726  -5.547
  108   HD23  LEU  14          HD23      LEU  14  35.856 -13.901  -4.789
  109    H    ASP  15           HN       ASP  15  32.871 -14.953  -0.953
  110    HA   ASP  15           HA       ASP  15  30.737 -16.937  -1.463
  111    HB2  ASP  15           HB2      ASP  15  30.542 -16.418   0.792
  112    HB3  ASP  15           HB1      ASP  15  31.076 -14.752   0.563
  113    H    AIB  16           HN       AIB  16  31.867 -13.692  -2.097
  114   HB11  AIB  16          HB11      AIB  16  28.735 -12.953  -2.337
  115   HB12  AIB  16          HB12      AIB  16  28.489 -13.438  -4.014
  116   HB13  AIB  16          HB13      AIB  16  28.725 -11.737  -3.615
  117   HB21  AIB  16          HB21      AIB  16  31.641 -11.536  -2.342
  118   HB22  AIB  16          HB22      AIB  16  30.451 -10.780  -3.400
  119   HB23  AIB  16          HB23      AIB  16  31.951 -11.417  -4.074
  120    H    ARG  17           HN       ARG  17  31.383 -15.198  -4.255
  121    HA   ARG  17           HA       ARG  17  32.478 -14.794  -6.745
  122    HB2  ARG  17           HB2      ARG  17  31.347 -17.233  -7.108
  123    HB3  ARG  17           HB1      ARG  17  32.806 -16.974  -6.154
  124    HG2  ARG  17           HG2      ARG  17  31.624 -17.000  -4.116
  125    HG3  ARG  17           HG1      ARG  17  30.073 -16.747  -4.912
  126    HD2  ARG  17           HD2      ARG  17  30.724 -19.140  -4.072
  127    HD3  ARG  17           HD1      ARG  17  29.926 -18.954  -5.624
  128    HE   ARG  17           HE       ARG  17  32.761 -19.576  -5.191
  129   HH11  ARG  17          HH21      ARG  17  30.116 -19.010  -7.369
  130   HH12  ARG  17          HH22      ARG  17  30.887 -19.797  -8.702
  131   HH21  ARG  17          HH11      ARG  17  33.744 -20.615  -6.923
  132   HH22  ARG  17          HH12      ARG  17  32.939 -20.700  -8.455
  133    H    ARG  18           HN       ARG  18  29.111 -15.753  -6.076
  134    HA   ARG  18           HA       ARG  18  28.267 -15.401  -8.797
  135    HB2  ARG  18           HB2      ARG  18  26.731 -15.712  -6.201
  136    HB3  ARG  18           HB1      ARG  18  25.966 -15.641  -7.785
  137    HG2  ARG  18           HG2      ARG  18  26.311 -17.858  -7.994
  138    HG3  ARG  18           HG1      ARG  18  28.045 -17.546  -8.032
  139    HD2  ARG  18           HD2      ARG  18  27.722 -19.103  -6.271
  140    HD3  ARG  18           HD1      ARG  18  27.948 -17.550  -5.472
  141    HE   ARG  18           HE       ARG  18  25.687 -17.591  -4.853
  142   HH11  ARG  18          HH21      ARG  18  26.494 -20.167  -7.021
  143   HH12  ARG  18          HH22      ARG  18  25.039 -21.058  -6.721
  144   HH21  ARG  18          HH11      ARG  18  23.775 -18.763  -4.455
  145   HH22  ARG  18          HH12      ARG  18  23.504 -20.263  -5.275
  146    H    ALA  19           HN       ALA  19  29.472 -13.161  -7.006
  147    HA   ALA  19           HA       ALA  19  29.346 -10.862  -7.068
  148    HB1  ALA  19           HB1      ALA  19  28.083 -11.566  -9.374
  149    HB2  ALA  19           HB2      ALA  19  28.290  -9.899  -8.836
  150    HB3  ALA  19           HB3      ALA  19  26.775 -10.744  -8.521
  151    H    GLN  20           HN       GLN  20  26.117 -12.342  -6.880
  152    HA   GLN  20           HA       GLN  20  25.461 -12.069  -4.285
  153    HB2  GLN  20           HB2      GLN  20  25.849  -9.815  -3.937
  154    HB3  GLN  20           HB1      GLN  20  25.455  -9.380  -5.603
  155    HG2  GLN  20           HG2      GLN  20  23.120  -9.514  -5.199
  156    HG3  GLN  20           HG1      GLN  20  23.349 -10.413  -3.699
  157   HE21  GLN  20          HE21      GLN  20  22.579  -8.996  -2.101
  158   HE22  GLN  20          HE22      GLN  20  23.097  -7.390  -1.921
  159    H    ASP  21           HN       ASP  21  24.618 -11.571  -7.577
  160    HA   ASP  21           HA       ASP  21  21.858 -11.590  -7.618
  161    HB2  ASP  21           HB2      ASP  21  24.040 -12.334  -9.409
  162    HB3  ASP  21           HB1      ASP  21  22.578 -13.288  -9.687
  163    H    PHE  22           HN       PHE  22  23.951 -13.915  -6.342
  164    HA   PHE  22           HA       PHE  22  22.887 -16.370  -6.812
  165    HB2  PHE  22           HB2      PHE  22  23.986 -17.056  -4.941
  166    HB3  PHE  22           HB1      PHE  22  24.670 -15.433  -5.015
  167    HD1  PHE  22           HD2      PHE  22  22.065 -17.543  -3.432
  168    HD2  PHE  22           HD1      PHE  22  24.080 -13.752  -3.406
  169    HE1  PHE  22           HE2      PHE  22  21.038 -17.015  -1.243
  170    HE2  PHE  22           HE1      PHE  22  23.056 -13.221  -1.213
  171    HZ   PHE  22           HZ       PHE  22  21.534 -14.853  -0.127
  172    H    VAL  23           HN       VAL  23  21.389 -13.695  -5.199
  173    HA   VAL  23           HA       VAL  23  19.409 -15.002  -3.698
  174    HB   VAL  23           HB       VAL  23  18.909 -12.410  -5.148
  175   HG11  VAL  23          HG11      VAL  23  17.104 -13.368  -3.771
  176   HG12  VAL  23          HG12      VAL  23  17.730 -11.890  -3.039
  177   HG13  VAL  23          HG13      VAL  23  18.199 -13.463  -2.393
  178   HG21  VAL  23          HG21      VAL  23  20.020 -11.698  -2.729
  179   HG22  VAL  23          HG22      VAL  23  20.868 -11.657  -4.274
  180   HG23  VAL  23          HG23      VAL  23  21.036 -13.054  -3.214
  181    H    GLN  24           HN       GLN  24  19.501 -14.038  -7.100
  182    HA   GLN  24           HA       GLN  24  16.809 -14.826  -7.663
  183    HB2  GLN  24           HB2      GLN  24  18.995 -13.613  -9.075
  184    HB3  GLN  24           HB1      GLN  24  18.367 -14.967 -10.030
  185    HG2  GLN  24           HG2      GLN  24  17.132 -12.928 -10.583
  186    HG3  GLN  24           HG1      GLN  24  16.067 -14.059  -9.749
  187   HE21  GLN  24          HE21      GLN  24  15.288 -13.466  -7.637
  188   HE22  GLN  24          HE22      GLN  24  15.580 -11.938  -6.957
  189    H    TRP  25           HN       TRP  25  19.858 -16.455  -7.449
  190    HA   TRP  25           HA       TRP  25  19.709 -18.638  -9.048
  191    HB2  TRP  25           HB2      TRP  25  21.401 -18.121  -7.184
  192    HB3  TRP  25           HB1      TRP  25  20.305 -18.994  -6.114
  193    HD1  TRP  25           HD1      TRP  25  22.403 -19.502  -9.300
  194    HE1  TRP  25           HE1      TRP  25  22.915 -22.016  -9.546
  195    HE3  TRP  25           HE3      TRP  25  19.630 -21.350  -5.436
  196    HZ2  TRP  25           HZ2      TRP  25  22.234 -24.489  -8.271
  197    HZ3  TRP  25           HZ3      TRP  25  19.574 -23.781  -4.973
  198    HH2  TRP  25           HH2      TRP  25  20.873 -25.354  -6.384
  199    H    LEU  26           HN       LEU  26  18.349 -18.762  -5.738
  200    HA   LEU  26           HA       LEU  26  16.547 -20.895  -6.624
  201    HB2  LEU  26           HB2      LEU  26  16.007 -20.800  -4.029
  202    HB3  LEU  26           HB1      LEU  26  17.463 -21.589  -4.623
  203    HG   LEU  26           HG       LEU  26  18.776 -19.566  -4.187
  204   HD11  LEU  26          HD11      LEU  26  17.182 -17.824  -4.599
  205   HD12  LEU  26          HD12      LEU  26  17.619 -17.702  -2.896
  206   HD13  LEU  26          HD13      LEU  26  16.089 -18.444  -3.363
  207   HD21  LEU  26          HD21      LEU  26  17.146 -19.953  -1.695
  208   HD22  LEU  26          HD22      LEU  26  18.896 -19.828  -1.872
  209   HD23  LEU  26          HD23      LEU  26  18.066 -21.308  -2.346
  210    H    MET  27           HN       MET  27  15.944 -18.424  -7.715
  211    HA   MET  27           HA       MET  27  13.342 -17.885  -6.441
  212    HB2  MET  27           HB2      MET  27  15.438 -16.107  -6.252
  213    HB3  MET  27           HB1      MET  27  14.567 -15.523  -7.670
  214    HG2  MET  27           HG2      MET  27  12.436 -15.707  -6.280
  215    HG3  MET  27           HG1      MET  27  13.481 -15.946  -4.879
  216    HE1  MET  27           HE1      MET  27  11.949 -12.293  -4.853
  217    HE2  MET  27           HE2      MET  27  12.336 -13.607  -3.747
  218    HE3  MET  27           HE3      MET  27  11.341 -13.925  -5.166
  219    H    ASN  28           HN       ASN  28  15.385 -17.337  -9.306
  220    HA   ASN  28           HA       ASN  28  12.999 -17.151 -10.992
  221    HB2  ASN  28           HB2      ASN  28  15.614 -16.050 -11.092
  222    HB3  ASN  28           HB1      ASN  28  15.431 -17.098 -12.499
  223   HD21  ASN  28          HD21      ASN  28  14.215 -16.279 -14.231
  224   HD22  ASN  28          HD22      ASN  28  13.267 -14.873 -14.151
  225    H    THR  29           HN       THR  29  14.727 -19.595  -9.711
  226    HA   THR  29           HA       THR  29  13.930 -21.430 -11.832
  227    HB   THR  29           HB       THR  29  16.802 -21.200 -10.902
  228    HG1  THR  29           HG1      THR  29  17.163 -20.689 -13.046
  229   HG21  THR  29          HG21      THR  29  15.246 -23.399 -12.063
  230   HG22  THR  29          HG22      THR  29  16.824 -23.431 -11.276
  231   HG23  THR  29          HG23      THR  29  16.699 -23.006 -12.983
  232    H    GGL 101           HN2      LYX  13  31.633 -22.430  -4.486
  233    HA   GGL 101           HA2      LYX  13  32.076 -25.262  -5.205
  234    HB2  GGL 101           HI2      LYX  13  34.470 -24.909  -4.891
  235    HB3  GGL 101           HI1      LYX  13  33.844 -23.835  -6.139
  236    HG2  GGL 101           HH2      LYX  13  34.778 -23.173  -3.371
  237    HG3  GGL 101           HH1      LYX  13  33.523 -22.176  -4.114
  238    H    GGL 102           HN3      LYX  13  29.608 -24.771  -3.408
  239    HA   GGL 102           HA3      LYX  13  30.225 -22.548  -3.272
  240    HB2  GGL 102           HJ2      LYX  13  27.659 -22.459  -4.851
  241    HB3  GGL 102           HJ1      LYX  13  28.499 -20.980  -4.413
  242    HG2  GGL 102           HK2      LYX  13  28.991 -22.265  -6.706
  243    HG3  GGL 102           HK1      LYX  13  30.220 -21.354  -5.846
  244    H21  PLM 103           H22      LYX  13  27.790 -25.757  -1.519
  245    H22  PLM 103           H21      LYX  13  27.066 -24.171  -1.269
  246    H31  PLM 103           H32      LYX  13  25.137 -25.074  -2.773
  247    H32  PLM 103           H31      LYX  13  25.804 -26.663  -2.392
  248    H41  PLM 103           H41      LYX  13  25.581 -26.189   0.019
  249    H42  PLM 103           H42      LYX  13  24.939 -24.588  -0.349
  250    H51  PLM 103           H51      LYX  13  23.362 -26.753   0.068
  251    H52  PLM 103           H52      LYX  13  23.583 -26.880  -1.675
  252    H61  PLM 103           H62      LYX  13  23.017 -24.299  -1.634
  253    H62  PLM 103           H61      LYX  13  21.721 -25.489  -1.569
  254    H71  PLM 103           H72      LYX  13  22.972 -24.088   0.813
  255    H72  PLM 103           H71      LYX  13  21.724 -25.328   0.914
  256    H81  PLM 103           H82      LYX  13  21.445 -22.494   0.365
  257    H82  PLM 103           H81      LYX  13  20.752 -23.451  -0.943
  258    H91  PLM 103           H91      LYX  13  20.153 -23.968   1.986
  259    H92  PLM 103           H92      LYX  13  19.341 -24.662   0.587
  260    HA1  PLM 103          H102      LYX  13  17.895 -22.925   1.333
  261    HA2  PLM 103          H101      LYX  13  18.722 -22.267  -0.075
  262    HB1  PLM 103          H111      LYX  13  20.321 -21.704   2.245
  263    HB2  PLM 103          H112      LYX  13  19.508 -20.568   1.172
  264    HC1  PLM 103          H122      LYX  13  18.219 -21.989   3.524
  265    HC2  PLM 103          H121      LYX  13  17.419 -20.838   2.454
  266    HD1  PLM 103          H132      LYX  13  19.699 -19.473   3.236
  267    HD2  PLM 103          H131      LYX  13  18.089 -19.244   3.915
  268    HE1  PLM 103          H142      LYX  13  19.969 -21.377   4.948
  269    HE2  PLM 103          H141      LYX  13  18.522 -20.737   5.722
  270    HF1  PLM 103          H151      LYX  13  20.946 -19.020   5.126
  271    HF2  PLM 103          H152      LYX  13  19.577 -18.627   6.160
  272    HG1  PLM 103          H162      LYX  13  20.579 -21.047   7.177
  273    HG2  PLM 103          H163      LYX  13  22.009 -20.081   6.809
  274    HG3  PLM 103          H161      LYX  13  20.769 -19.447   7.891
  Start of MODEL    5
    1    H1   HIS   1           HT1      HIS   1  18.127 -27.447   6.621
    2    H2   HIS   1           HT2      HIS   1  19.383 -28.531   6.987
    3    H3   HIS   1           HT3      HIS   1  18.221 -28.938   5.816
    4    HA   HIS   1           HA       HIS   1  20.100 -28.295   4.586
    5    HB2  HIS   1           HB2      HIS   1  19.349 -26.393   3.381
    6    HB3  HIS   1           HB1      HIS   1  17.880 -27.195   3.958
    7    HD2  HIS   1           HD2      HIS   1  19.159 -23.717   3.843
    8    HE1  HIS   1           HE1      HIS   1  16.972 -23.837   7.449
    9    HE2  HIS   1           HE2      HIS   1  18.086 -22.305   5.756
   10    H    AIB   2           HN       AIB   2  21.560 -26.585   4.019
   11   HB11  AIB   2          HB11      AIB   2  24.757 -25.484   5.826
   12   HB12  AIB   2          HB12      AIB   2  24.100 -27.016   5.233
   13   HB13  AIB   2          HB13      AIB   2  23.727 -26.469   6.869
   14   HB21  AIB   2          HB21      AIB   2  21.193 -24.180   6.220
   15   HB22  AIB   2          HB22      AIB   2  22.821 -23.510   6.304
   16   HB23  AIB   2          HB23      AIB   2  22.361 -24.840   7.367
   17    H    GLN   3           HN       GLN   3  21.243 -24.023   3.994
   18    HA   GLN   3           HA       GLN   3  21.899 -23.575   1.569
   19    HB2  GLN   3           HB2      GLN   3  22.031 -20.982   2.204
   20    HB3  GLN   3           HB1      GLN   3  20.528 -21.896   2.253
   21    HG2  GLN   3           HG2      GLN   3  20.884 -22.366   4.627
   22    HG3  GLN   3           HG1      GLN   3  22.401 -21.494   4.583
   23   HE21  GLN   3          HE21      GLN   3  19.788 -20.220   2.656
   24   HE22  GLN   3          HE22      GLN   3  19.381 -18.936   3.689
   25    H    GLY   4           HN       GLY   4  23.805 -22.531   4.124
   26    HA2  GLY   4           HA2      GLY   4  26.054 -22.073   4.377
   27    HA3  GLY   4           HA1      GLY   4  26.320 -22.777   2.788
   28    H    THR   5           HN       THR   5  23.954 -20.498   2.656
   29    HA   THR   5           HA       THR   5  25.117 -18.710   0.952
   30    HB   THR   5           HB       THR   5  22.780 -18.708   1.326
   31    HG1  THR   5           HG1      THR   5  24.264 -16.495   1.612
   32   HG21  THR   5          HG21      THR   5  22.938 -19.447   3.701
   33   HG22  THR   5          HG22      THR   5  21.759 -18.159   3.428
   34   HG23  THR   5          HG23      THR   5  23.330 -17.772   4.118
   35    H    PHE   6           HN       PHE   6  25.670 -19.197   4.146
   36    HA   PHE   6           HA       PHE   6  27.096 -16.653   4.413
   37    HB2  PHE   6           HB2      PHE   6  26.628 -16.729   6.769
   38    HB3  PHE   6           HB1      PHE   6  25.134 -16.896   5.833
   39    HD1  PHE   6           HD1      PHE   6  24.360 -19.274   5.358
   40    HD2  PHE   6           HD2      PHE   6  27.124 -18.331   8.459
   41    HE1  PHE   6           HE1      PHE   6  23.748 -21.359   6.456
   42    HE2  PHE   6           HE2      PHE   6  26.530 -20.448   9.613
   43    HZ   PHE   6           HZ       PHE   6  24.837 -21.974   8.619
   44    H    THR   7           HN       THR   7  27.194 -19.715   6.074
   45    HA   THR   7           HA       THR   7  29.916 -19.585   6.707
   46    HB   THR   7           HB       THR   7  28.526 -20.993   7.996
   47    HG1  THR   7           HG1      THR   7  29.836 -23.025   6.730
   48   HG21  THR   7          HG21      THR   7  27.496 -22.988   6.969
   49   HG22  THR   7          HG22      THR   7  28.061 -22.407   5.401
   50   HG23  THR   7          HG23      THR   7  26.902 -21.459   6.329
   51    H    SER   8           HN       SER   8  28.800 -19.689   3.730
   52    HA   SER   8           HA       SER   8  30.359 -21.755   2.536
   53    HB2  SER   8           HB2      SER   8  30.008 -20.263   0.440
   54    HB3  SER   8           HB1      SER   8  28.614 -21.056   1.160
   55    HG   SER   8           HG       SER   8  28.706 -18.597   0.692
   56    H    ASP   9           HN       ASP   9  30.860 -18.809   1.118
   57    HA   ASP   9           HA       ASP   9  33.245 -18.488   0.381
   58    HB2  ASP   9           HB2      ASP   9  32.137 -16.497   0.476
   59    HB3  ASP   9           HB1      ASP   9  31.750 -16.678   2.190
   60    H    TYR  10           HN       TYR  10  32.817 -18.231   3.961
   61    HA   TYR  10           HA       TYR  10  35.600 -18.031   4.483
   62    HB2  TYR  10           HB2      TYR  10  34.014 -19.329   6.595
   63    HB3  TYR  10           HB1      TYR  10  34.991 -17.866   6.660
   64    HD1  TYR  10           HD1      TYR  10  33.779 -16.160   4.604
   65    HD2  TYR  10           HD2      TYR  10  31.910 -18.766   7.466
   66    HE1  TYR  10           HE1      TYR  10  31.717 -14.786   4.510
   67    HE2  TYR  10           HE2      TYR  10  29.837 -17.406   7.360
   68    HH   TYR  10           HH       TYR  10  28.745 -15.831   5.926
   69    H    SER  11           HN       SER  11  33.334 -20.712   4.616
   70    HA   SER  11           HA       SER  11  35.379 -22.691   5.100
   71    HB2  SER  11           HB2      SER  11  32.994 -22.785   5.931
   72    HB3  SER  11           HB1      SER  11  32.501 -23.072   4.266
   73    HG   SER  11           HG       SER  11  33.588 -24.981   4.272
   74    H    LYS  12           HN       LYS  12  33.798 -21.221   2.388
   75    HA   LYS  12           HA       LYS  12  34.603 -23.318   0.536
   76    HB2  LYS  12           HB2      LYS  12  32.894 -20.877   0.386
   77    HB3  LYS  12           HB1      LYS  12  33.618 -21.468  -1.096
   78    HG2  LYS  12           HG2      LYS  12  32.117 -23.326   0.741
   79    HG3  LYS  12           HG1      LYS  12  31.273 -22.345  -0.453
   80    HD2  LYS  12           HD2      LYS  12  32.915 -23.322  -2.181
   81    HD3  LYS  12           HD1      LYS  12  33.338 -24.505  -0.950
   82    HE2  LYS  12           HE2      LYS  12  31.577 -25.715  -1.633
   83    HE3  LYS  12           HE1      LYS  12  30.529 -24.455  -0.986
   84    HZ1  LYS  12           HZ1      LYS  12  31.721 -24.391  -3.705
   85    HZ2  LYS  12           HZ2      LYS  12  30.550 -23.333  -3.074
   86    HZ3  LYS  12           HZ3      LYS  12  30.158 -24.960  -3.370
   87    H    LYS  13           HN       LYX  13  34.688 -19.939  -0.309
   88    HA   LYS  13           HA       LYX  13  37.606 -19.833  -0.346
   89    HB2  LYS  13           HB2      LYX  13  36.996 -18.993  -2.913
   90    HB3  LYS  13           HB1      LYX  13  37.723 -20.549  -2.486
   91    HG2  LYS  13           HG2      LYX  13  35.564 -21.620  -2.395
   92    HG3  LYS  13           HG1      LYX  13  34.737 -20.076  -2.543
   93    HD2  LYS  13           HD2      LYX  13  35.564 -19.795  -4.813
   94    HD3  LYS  13           HD1      LYX  13  36.523 -21.271  -4.674
   95    HE2  LYS  13           HE2      LYX  13  34.579 -21.993  -5.802
   96    HE3  LYS  13           HE1      LYX  13  34.264 -22.439  -4.131
   97    HZ1  LYS  13           HZ1      LYX  13  32.992 -20.251  -5.617
   98    H    LEU  14           HN       LEU  14  35.296 -18.105  -2.371
   99    HA   LEU  14           HA       LEU  14  35.742 -15.679  -0.774
  100    HB2  LEU  14           HB2      LEU  14  37.180 -15.600  -2.742
  101    HB3  LEU  14           HB1      LEU  14  35.799 -15.930  -3.784
  102    HG   LEU  14           HG       LEU  14  34.750 -13.803  -3.072
  103   HD11  LEU  14          HD11      LEU  14  36.579 -12.262  -1.867
  104   HD12  LEU  14          HD12      LEU  14  37.093 -13.819  -1.219
  105   HD13  LEU  14          HD13      LEU  14  35.450 -13.247  -0.941
  106   HD21  LEU  14          HD21      LEU  14  36.973 -14.131  -4.733
  107   HD22  LEU  14          HD22      LEU  14  37.375 -12.727  -3.746
  108   HD23  LEU  14          HD23      LEU  14  35.893 -12.738  -4.702
  109    H    ASP  15           HN       ASP  15  33.996 -14.221  -0.668
  110    HA   ASP  15           HA       ASP  15  31.414 -15.371  -1.468
  111    HB2  ASP  15           HB2      ASP  15  32.275 -14.052   0.848
  112    HB3  ASP  15           HB1      ASP  15  31.248 -12.888   0.017
  113    H    AIB  16           HN       AIB  16  33.169 -12.273  -1.607
  114   HB11  AIB  16          HB11      AIB  16  30.282 -11.245  -2.543
  115   HB12  AIB  16          HB12      AIB  16  30.428 -11.559  -4.273
  116   HB13  AIB  16          HB13      AIB  16  30.678  -9.928  -3.647
  117   HB21  AIB  16          HB21      AIB  16  34.025 -10.010  -3.068
  118   HB22  AIB  16          HB22      AIB  16  32.946  -9.987  -1.673
  119   HB23  AIB  16          HB23      AIB  16  32.493  -9.141  -3.152
  120    H    ARG  17           HN       ARG  17  32.211 -13.533  -4.447
  121    HA   ARG  17           HA       ARG  17  33.962 -12.666  -6.658
  122    HB2  ARG  17           HB2      ARG  17  34.357 -15.039  -7.075
  123    HB3  ARG  17           HB1      ARG  17  34.716 -14.647  -5.398
  124    HG2  ARG  17           HG2      ARG  17  33.296 -16.272  -4.777
  125    HG3  ARG  17           HG1      ARG  17  31.978 -15.315  -5.452
  126    HD2  ARG  17           HD2      ARG  17  32.448 -16.327  -7.680
  127    HD3  ARG  17           HD1      ARG  17  33.671 -17.348  -6.930
  128    HE   ARG  17           HE       ARG  17  31.111 -17.583  -5.641
  129   HH11  ARG  17          HH21      ARG  17  33.048 -18.556  -8.336
  130   HH12  ARG  17          HH22      ARG  17  32.218 -20.058  -8.569
  131   HH21  ARG  17          HH11      ARG  17  30.018 -19.553  -5.939
  132   HH22  ARG  17          HH12      ARG  17  30.502 -20.622  -7.211
  133    H    ARG  18           HN       ARG  18  30.765 -13.693  -5.854
  134    HA   ARG  18           HA       ARG  18  30.030 -14.304  -8.605
  135    HB2  ARG  18           HB2      ARG  18  28.533 -14.264  -5.989
  136    HB3  ARG  18           HB1      ARG  18  27.707 -14.478  -7.530
  137    HG2  ARG  18           HG2      ARG  18  28.506 -16.588  -7.829
  138    HG3  ARG  18           HG1      ARG  18  30.099 -16.180  -7.201
  139    HD2  ARG  18           HD2      ARG  18  29.189 -17.737  -5.653
  140    HD3  ARG  18           HD1      ARG  18  29.004 -16.172  -4.874
  141    HE   ARG  18           HE       ARG  18  26.685 -16.334  -5.192
  142   HH11  ARG  18          HH21      ARG  18  28.409 -18.845  -6.839
  143   HH12  ARG  18          HH22      ARG  18  26.996 -19.795  -7.154
  144   HH21  ARG  18          HH11      ARG  18  24.829 -17.582  -5.602
  145   HH22  ARG  18          HH12      ARG  18  24.974 -19.082  -6.456
  146    H    ALA  19           HN       ALA  19  31.017 -11.620  -7.903
  147    HA   ALA  19           HA       ALA  19  30.560  -9.488  -8.655
  148    HB1  ALA  19           HB1      ALA  19  27.745 -10.114  -9.375
  149    HB2  ALA  19           HB2      ALA  19  29.006 -10.948 -10.283
  150    HB3  ALA  19           HB3      ALA  19  28.956  -9.185 -10.258
  151    H    GLN  20           HN       GLN  20  27.768 -11.061  -7.145
  152    HA   GLN  20           HA       GLN  20  27.345 -10.347  -4.758
  153    HB2  GLN  20           HB2      GLN  20  28.276  -8.110  -4.859
  154    HB3  GLN  20           HB1      GLN  20  27.149  -7.654  -6.144
  155    HG2  GLN  20           HG2      GLN  20  25.470  -7.272  -4.669
  156    HG3  GLN  20           HG1      GLN  20  25.838  -8.726  -3.741
  157   HE21  GLN  20          HE21      GLN  20  26.819  -5.316  -4.188
  158   HE22  GLN  20          HE22      GLN  20  27.549  -5.165  -2.663
  159    H    ASP  21           HN       ASP  21  26.080 -11.914  -6.357
  160    HA   ASP  21           HA       ASP  21  23.314 -10.895  -6.431
  161    HB2  ASP  21           HB2      ASP  21  24.963 -11.582  -8.664
  162    HB3  ASP  21           HB1      ASP  21  23.659 -12.767  -8.533
  163    H    PHE  22           HN       PHE  22  25.514 -13.628  -6.474
  164    HA   PHE  22           HA       PHE  22  25.166 -15.868  -6.065
  165    HB2  PHE  22           HB2      PHE  22  24.415 -16.156  -3.611
  166    HB3  PHE  22           HB1      PHE  22  25.905 -15.294  -3.942
  167    HD1  PHE  22           HD1      PHE  22  25.634 -12.661  -4.271
  168    HD2  PHE  22           HD2      PHE  22  22.872 -15.190  -2.164
  169    HE1  PHE  22           HE1      PHE  22  24.791 -10.698  -3.016
  170    HE2  PHE  22           HE2      PHE  22  22.025 -13.224  -0.917
  171    HZ   PHE  22           HZ       PHE  22  22.983 -10.978  -1.343
  172    H    VAL  23           HN       VAL  23  22.422 -14.915  -4.069
  173    HA   VAL  23           HA       VAL  23  20.730 -16.626  -5.770
  174    HB   VAL  23           HB       VAL  23  19.357 -17.024  -3.838
  175   HG11  VAL  23          HG11      VAL  23  22.097 -17.701  -3.993
  176   HG12  VAL  23          HG12      VAL  23  20.842 -18.540  -3.079
  177   HG13  VAL  23          HG13      VAL  23  21.798 -17.272  -2.308
  178   HG21  VAL  23          HG21      VAL  23  19.139 -15.208  -2.484
  179   HG22  VAL  23          HG22      VAL  23  20.743 -14.601  -2.893
  180   HG23  VAL  23          HG23      VAL  23  20.562 -15.853  -1.664
  181    H    GLN  24           HN       GLN  24  21.202 -14.067  -6.667
  182    HA   GLN  24           HA       GLN  24  20.207 -12.028  -7.144
  183    HB2  GLN  24           HB2      GLN  24  18.024 -14.094  -7.423
  184    HB3  GLN  24           HB1      GLN  24  17.787 -12.403  -7.886
  185    HG2  GLN  24           HG2      GLN  24  19.740 -12.550  -9.393
  186    HG3  GLN  24           HG1      GLN  24  19.940 -14.243  -8.952
  187   HE21  GLN  24          HE21      GLN  24  19.492 -13.659 -11.649
  188   HE22  GLN  24          HE22      GLN  24  17.925 -14.142 -12.087
  189    H    TRP  25           HN       TRP  25  20.280 -12.712  -4.257
  190    HA   TRP  25           HA       TRP  25  17.798 -12.042  -3.034
  191    HB2  TRP  25           HB2      TRP  25  19.538 -13.041  -1.685
  192    HB3  TRP  25           HB1      TRP  25  20.640 -11.712  -2.041
  193    HD1  TRP  25           HD1      TRP  25  17.507 -12.567  -0.029
  194    HE1  TRP  25           HE1      TRP  25  17.133 -10.739   1.751
  195    HE3  TRP  25           HE3      TRP  25  21.111  -9.225  -1.407
  196    HZ2  TRP  25           HZ2      TRP  25  18.219  -8.192   2.485
  197    HZ3  TRP  25           HZ3      TRP  25  21.418  -7.117  -0.182
  198    HH2  TRP  25           HH2      TRP  25  19.980  -6.589   1.777
  199    H    LEU  26           HN       LEU  26  19.599 -10.251  -5.091
  200    HA   LEU  26           HA       LEU  26  18.455  -7.763  -4.063
  201    HB2  LEU  26           HB2      LEU  26  20.619  -6.583  -4.591
  202    HB3  LEU  26           HB1      LEU  26  20.669  -7.641  -3.190
  203    HG   LEU  26           HG       LEU  26  22.695  -7.885  -4.555
  204   HD11  LEU  26          HD11      LEU  26  21.375 -10.467  -5.190
  205   HD12  LEU  26          HD12      LEU  26  21.315  -9.956  -3.509
  206   HD13  LEU  26          HD13      LEU  26  22.862 -10.139  -4.306
  207   HD21  LEU  26          HD21      LEU  26  22.724  -8.444  -6.818
  208   HD22  LEU  26          HD22      LEU  26  21.345  -7.356  -6.733
  209   HD23  LEU  26          HD23      LEU  26  21.092  -9.104  -6.786
  210    H    MET  27           HN       MET  27  18.632  -9.854  -6.523
  211    HA   MET  27           HA       MET  27  18.647  -7.807  -8.642
  212    HB2  MET  27           HB2      MET  27  19.878 -10.219  -8.601
  213    HB3  MET  27           HB1      MET  27  18.346 -10.661  -9.356
  214    HG2  MET  27           HG2      MET  27  19.704 -10.024 -11.182
  215    HG3  MET  27           HG1      MET  27  18.725  -8.591 -10.867
  216    HE1  MET  27           HE1      MET  27  22.179  -7.401 -12.085
  217    HE2  MET  27           HE2      MET  27  20.611  -6.623 -11.885
  218    HE3  MET  27           HE3      MET  27  20.701  -8.246 -12.565
  219    H    ASN  28           HN       ASN  28  16.742 -10.638  -7.591
  220    HA   ASN  28           HA       ASN  28  14.409  -9.524  -9.004
  221    HB2  ASN  28           HB2      ASN  28  15.431 -12.147  -8.740
  222    HB3  ASN  28           HB1      ASN  28  13.917 -12.101  -7.836
  223   HD21  ASN  28          HD21      ASN  28  15.211 -10.964 -11.016
  224   HD22  ASN  28          HD22      ASN  28  13.786 -11.305 -11.873
  225    H    THR  29           HN       THR  29  15.591  -8.757  -6.282
  226    HA   THR  29           HA       THR  29  13.660  -9.571  -4.326
  227    HB   THR  29           HB       THR  29  16.034  -8.747  -3.878
  228    HG1  THR  29           HG1      THR  29  13.940  -7.414  -2.512
  229   HG21  THR  29          HG21      THR  29  15.605  -6.691  -5.395
  230   HG22  THR  29          HG22      THR  29  16.489  -6.435  -3.892
  231   HG23  THR  29          HG23      THR  29  14.781  -6.009  -3.994
  232    H    GGL 101           HN2      LYX  13  30.294 -20.524  -4.368
  233    HA   GGL 101           HA2      LYX  13  28.838 -19.868  -2.099
  234    HB2  GGL 101           HI2      LYX  13  31.075 -18.610  -1.525
  235    HB3  GGL 101           HI1      LYX  13  31.047 -20.366  -1.662
  236    HG2  GGL 101           HH2      LYX  13  32.826 -18.863  -2.973
  237    HG3  GGL 101           HH1      LYX  13  31.546 -18.843  -4.178
  238    H    GGL 102           HN3      LYX  13  29.273 -24.260  -2.260
  239    HA   GGL 102           HA3      LYX  13  29.139 -22.017  -2.854
  240    HB2  GGL 102           HJ2      LYX  13  29.162 -23.509  -4.840
  241    HB3  GGL 102           HJ1      LYX  13  27.406 -23.468  -4.873
  242    HG2  GGL 102           HK2      LYX  13  29.272 -21.652  -6.040
  243    HG3  GGL 102           HK1      LYX  13  27.518 -21.627  -6.152
  244    H21  PLM 103           H22      LYX  13  27.476 -24.616   0.068
  245    H22  PLM 103           H21      LYX  13  26.489 -23.298  -0.557
  246    H31  PLM 103           H32      LYX  13  24.612 -24.639  -0.814
  247    H32  PLM 103           H31      LYX  13  25.563 -26.110  -1.019
  248    H41  PLM 103           H41      LYX  13  25.710 -24.696   1.611
  249    H42  PLM 103           H42      LYX  13  24.255 -25.628   1.254
  250    H51  PLM 103           H51      LYX  13  27.078 -26.720   1.013
  251    H52  PLM 103           H52      LYX  13  25.577 -27.629   0.850
  252    H61  PLM 103           H62      LYX  13  26.212 -26.115   3.384
  253    H62  PLM 103           H61      LYX  13  25.075 -27.442   3.152
  254    H71  PLM 103           H72      LYX  13  28.087 -27.694   2.875
  255    H72  PLM 103           H71      LYX  13  26.911 -29.006   2.792
  256    H81  PLM 103           H82      LYX  13  26.209 -28.036   5.177
  257    H82  PLM 103           H81      LYX  13  27.532 -29.191   5.012
  258    H91  PLM 103           H91      LYX  13  28.125 -26.263   4.742
  259    H92  PLM 103           H92      LYX  13  29.169 -27.565   5.314
  260    HA1  PLM 103          H102      LYX  13  27.778 -27.753   7.364
  261    HA2  PLM 103          H101      LYX  13  26.788 -26.407   6.797
  262    HB1  PLM 103          H111      LYX  13  29.770 -26.291   7.352
  263    HB2  PLM 103          H112      LYX  13  28.779 -24.946   6.788
  264    HC1  PLM 103          H122      LYX  13  28.421 -26.440   9.407
  265    HC2  PLM 103          H121      LYX  13  27.398 -25.121   8.839
  266    HD1  PLM 103          H132      LYX  13  29.982 -24.997  10.160
  267    HD2  PLM 103          H131      LYX  13  30.028 -24.154   8.611
  268    HE1  PLM 103          H142      LYX  13  28.001 -23.707  10.827
  269    HE2  PLM 103          H141      LYX  13  27.986 -22.894   9.261
  270    HF1  PLM 103          H151      LYX  13  30.171 -22.732  11.361
  271    HF2  PLM 103          H152      LYX  13  30.284 -22.023   9.751
  272    HG1  PLM 103          H162      LYX  13  27.847 -21.364  11.326
  273    HG2  PLM 103          H163      LYX  13  29.360 -20.647  11.879
  274    HG3  PLM 103          H161      LYX  13  28.789 -20.348  10.236
  Start of MODEL    6
    1    H1   HIS   1           HT1      HIS   1  18.692 -28.448   6.003
    2    H2   HIS   1           HT2      HIS   1  20.020 -28.502   7.062
    3    H3   HIS   1           HT3      HIS   1  19.742 -29.779   5.976
    4    HA   HIS   1           HA       HIS   1  21.103 -28.781   4.542
    5    HB2  HIS   1           HB2      HIS   1  20.243 -26.982   3.261
    6    HB3  HIS   1           HB1      HIS   1  18.819 -27.891   3.791
    7    HD2  HIS   1           HD2      HIS   1  19.775 -24.324   3.625
    8    HE1  HIS   1           HE1      HIS   1  17.520 -24.550   7.183
    9    HE2  HIS   1           HE2      HIS   1  18.535 -22.965   5.475
   10    H    AIB   2           HN       AIB   2  22.440 -26.965   4.032
   11   HB11  AIB   2          HB11      AIB   2  24.382 -26.619   7.009
   12   HB12  AIB   2          HB12      AIB   2  25.393 -25.538   6.039
   13   HB13  AIB   2          HB13      AIB   2  24.940 -27.131   5.412
   14   HB21  AIB   2          HB21      AIB   2  23.272 -23.738   6.295
   15   HB22  AIB   2          HB22      AIB   2  22.862 -25.072   7.372
   16   HB23  AIB   2          HB23      AIB   2  21.720 -24.555   6.126
   17    H    GLN   3           HN       GLN   3  21.919 -24.453   3.891
   18    HA   GLN   3           HA       GLN   3  22.749 -24.034   1.507
   19    HB2  GLN   3           HB2      GLN   3  22.557 -21.429   2.026
   20    HB3  GLN   3           HB1      GLN   3  21.155 -22.491   2.004
   21    HG2  GLN   3           HG2      GLN   3  21.353 -22.818   4.419
   22    HG3  GLN   3           HG1      GLN   3  22.781 -21.810   4.456
   23   HE21  GLN   3          HE21      GLN   3  20.307 -20.803   2.238
   24   HE22  GLN   3          HE22      GLN   3  19.671 -19.548   3.189
   25    H    GLY   4           HN       GLY   4  24.307 -22.733   4.178
   26    HA2  GLY   4           HA2      GLY   4  26.457 -21.974   4.601
   27    HA3  GLY   4           HA1      GLY   4  26.948 -22.771   3.109
   28    H    THR   5           HN       THR   5  24.377 -20.783   2.596
   29    HA   THR   5           HA       THR   5  25.433 -19.028   0.800
   30    HB   THR   5           HB       THR   5  23.092 -19.268   1.094
   31    HG1  THR   5           HG1      THR   5  22.818 -17.270   0.561
   32   HG21  THR   5          HG21      THR   5  21.947 -18.581   3.117
   33   HG22  THR   5          HG22      THR   5  23.476 -18.046   3.806
   34   HG23  THR   5          HG23      THR   5  23.195 -19.769   3.507
   35    H    PHE   6           HN       PHE   6  25.874 -19.144   4.027
   36    HA   PHE   6           HA       PHE   6  26.794 -16.384   4.197
   37    HB2  PHE   6           HB2      PHE   6  26.526 -16.667   6.602
   38    HB3  PHE   6           HB1      PHE   6  25.045 -17.042   5.704
   39    HD1  PHE   6           HD2      PHE   6  24.552 -19.424   5.184
   40    HD2  PHE   6           HD1      PHE   6  27.499 -18.318   8.057
   41    HE1  PHE   6           HE2      PHE   6  24.395 -21.667   6.126
   42    HE2  PHE   6           HE1      PHE   6  27.358 -20.588   9.055
   43    HZ   PHE   6           HZ       PHE   6  25.806 -22.274   8.093
   44    H    THR   7           HN       THR   7  27.645 -19.433   5.611
   45    HA   THR   7           HA       THR   7  30.402 -18.634   5.952
   46    HB   THR   7           HB       THR   7  29.272 -19.953   7.674
   47    HG1  THR   7           HG1      THR   7  30.961 -21.875   7.153
   48   HG21  THR   7          HG21      THR   7  27.897 -21.161   6.036
   49   HG22  THR   7          HG22      THR   7  28.613 -22.203   7.256
   50   HG23  THR   7          HG23      THR   7  29.292 -22.144   5.627
   51    H    SER   8           HN       SER   8  28.944 -19.383   3.293
   52    HA   SER   8           HA       SER   8  30.352 -21.575   2.229
   53    HB2  SER   8           HB2      SER   8  29.840 -20.230   0.001
   54    HB3  SER   8           HB1      SER   8  28.560 -21.075   0.876
   55    HG   SER   8           HG       SER   8  27.682 -19.184   1.090
   56    H    ASP   9           HN       ASP   9  31.575 -18.834   3.333
   57    HA   ASP   9           HA       ASP   9  33.628 -18.565   1.251
   58    HB2  ASP   9           HB2      ASP   9  32.663 -16.504   1.661
   59    HB3  ASP   9           HB1      ASP   9  32.495 -16.811   3.386
   60    H    TYR  10           HN       TYR  10  33.486 -18.304   4.815
   61    HA   TYR  10           HA       TYR  10  36.215 -18.732   5.292
   62    HB2  TYR  10           HB2      TYR  10  34.296 -19.839   7.271
   63    HB3  TYR  10           HB1      TYR  10  35.645 -18.729   7.513
   64    HD1  TYR  10           HD2      TYR  10  35.279 -16.382   6.150
   65    HD2  TYR  10           HD1      TYR  10  32.183 -18.958   7.644
   66    HE1  TYR  10           HE2      TYR  10  33.694 -14.473   6.165
   67    HE2  TYR  10           HE1      TYR  10  30.602 -17.061   7.667
   68    HH   TYR  10           HH       TYR  10  30.300 -14.912   7.180
   69    H    SER  11           HN       SER  11  33.727 -20.751   4.269
   70    HA   SER  11           HA       SER  11  35.221 -23.207   4.903
   71    HB2  SER  11           HB2      SER  11  32.842 -23.060   5.625
   72    HB3  SER  11           HB1      SER  11  32.372 -22.847   3.943
   73    HG   SER  11           HG       SER  11  33.838 -25.055   4.976
   74    H    LYS  12           HN       LYS  12  33.934 -21.188   2.338
   75    HA   LYS  12           HA       LYS  12  35.517 -22.717   0.420
   76    HB2  LYS  12           HB2      LYS  12  33.059 -21.844  -0.828
   77    HB3  LYS  12           HB1      LYS  12  33.813 -23.414  -0.841
   78    HG2  LYS  12           HG2      LYS  12  32.330 -22.553   1.626
   79    HG3  LYS  12           HG1      LYS  12  31.410 -23.016   0.219
   80    HD2  LYS  12           HD2      LYS  12  33.248 -25.081   0.395
   81    HD3  LYS  12           HD1      LYS  12  32.933 -24.699   2.084
   82    HE2  LYS  12           HE2      LYS  12  31.275 -26.284   1.510
   83    HE3  LYS  12           HE1      LYS  12  30.442 -24.731   1.436
   84    HZ1  LYS  12           HZ1      LYS  12  30.708 -24.678  -0.923
   85    HZ2  LYS  12           HZ2      LYS  12  30.036 -26.183  -0.508
   86    HZ3  LYS  12           HZ3      LYS  12  31.681 -26.065  -0.904
   87    H    LYS  13           HN       LYX  13  36.912 -20.906   0.692
   88    HA   LYS  13           HA       LYX  13  37.650 -18.720   0.369
   89    HB2  LYS  13           HB2      LYX  13  37.389 -18.247  -2.216
   90    HB3  LYS  13           HB1      LYX  13  38.465 -19.513  -1.628
   91    HG2  LYS  13           HG2      LYX  13  36.830 -21.217  -2.078
   92    HG3  LYS  13           HG1      LYX  13  35.597 -20.010  -2.446
   93    HD2  LYS  13           HD2      LYX  13  36.758 -19.292  -4.414
   94    HD3  LYS  13           HD1      LYX  13  38.173 -20.261  -4.005
   95    HE2  LYS  13           HE2      LYX  13  36.997 -21.499  -5.667
   96    HE3  LYS  13           HE1      LYX  13  36.643 -22.297  -4.140
   97    HZ1  LYS  13           HZ1      LYX  13  34.763 -20.305  -5.245
   98    H    LEU  14           HN       LEU  14  35.518 -18.224  -2.284
   99    HA   LEU  14           HA       LEU  14  34.251 -16.040  -0.796
  100    HB2  LEU  14           HB2      LEU  14  35.567 -15.394  -2.782
  101    HB3  LEU  14           HB1      LEU  14  34.547 -16.422  -3.783
  102    HG   LEU  14           HG       LEU  14  32.575 -15.062  -3.176
  103   HD11  LEU  14          HD11      LEU  14  32.874 -14.108  -1.090
  104   HD12  LEU  14          HD12      LEU  14  33.365 -12.745  -2.094
  105   HD13  LEU  14          HD13      LEU  14  34.586 -13.790  -1.368
  106   HD21  LEU  14          HD21      LEU  14  33.150 -13.912  -5.019
  107   HD22  LEU  14          HD22      LEU  14  34.862 -14.190  -4.695
  108   HD23  LEU  14          HD23      LEU  14  34.049 -12.791  -3.994
  109    H    ASP  15           HN       ASP  15  31.994 -15.627  -1.094
  110    HA   ASP  15           HA       ASP  15  30.451 -18.047  -1.789
  111    HB2  ASP  15           HB2      ASP  15  28.729 -17.160  -0.282
  112    HB3  ASP  15           HB1      ASP  15  30.270 -17.338   0.557
  113    H    AIB  16           HN       AIB  16  30.264 -14.490  -1.851
  114   HB11  AIB  16          HB11      AIB  16  27.255 -14.776  -4.484
  115   HB12  AIB  16          HB12      AIB  16  27.000 -13.475  -3.320
  116   HB13  AIB  16          HB13      AIB  16  27.345 -15.108  -2.752
  117   HB21  AIB  16          HB21      AIB  16  28.406 -12.020  -3.517
  118   HB22  AIB  16          HB22      AIB  16  30.156 -12.223  -3.595
  119   HB23  AIB  16          HB23      AIB  16  29.302 -12.511  -2.079
  120    H    ARG  17           HN       ARG  17  30.704 -15.856  -4.392
  121    HA   ARG  17           HA       ARG  17  31.489 -14.670  -6.827
  122    HB2  ARG  17           HB2      ARG  17  31.970 -17.187  -7.434
  123    HB3  ARG  17           HB1      ARG  17  32.929 -16.385  -6.192
  124    HG2  ARG  17           HG2      ARG  17  31.774 -17.448  -4.440
  125    HG3  ARG  17           HG1      ARG  17  30.409 -17.865  -5.475
  126    HD2  ARG  17           HD2      ARG  17  31.457 -19.702  -6.350
  127    HD3  ARG  17           HD1      ARG  17  33.046 -18.944  -6.301
  128    HE   ARG  17           HE       ARG  17  33.367 -20.036  -4.301
  129   HH11  ARG  17          HH21      ARG  17  29.989 -19.458  -4.799
  130   HH12  ARG  17          HH22      ARG  17  29.501 -20.239  -3.333
  131   HH21  ARG  17          HH11      ARG  17  32.731 -21.045  -2.384
  132   HH22  ARG  17          HH12      ARG  17  31.056 -21.134  -1.964
  133    H    ARG  18           HN       ARG  18  28.956 -16.954  -5.970
  134    HA   ARG  18           HA       ARG  18  27.458 -16.158  -8.308
  135    HB2  ARG  18           HB2      ARG  18  26.952 -18.790  -8.510
  136    HB3  ARG  18           HB1      ARG  18  28.188 -17.972  -9.434
  137    HG2  ARG  18           HG2      ARG  18  29.182 -19.950  -8.539
  138    HG3  ARG  18           HG1      ARG  18  29.846 -18.598  -7.635
  139    HD2  ARG  18           HD2      ARG  18  29.235 -20.411  -6.108
  140    HD3  ARG  18           HD1      ARG  18  28.185 -19.024  -5.829
  141    HE   ARG  18           HE       ARG  18  27.062 -20.878  -7.717
  142   HH11  ARG  18          HH21      ARG  18  27.615 -20.214  -4.366
  143   HH12  ARG  18          HH22      ARG  18  26.252 -21.132  -3.818
  144   HH21  ARG  18          HH11      ARG  18  25.273 -22.083  -7.005
  145   HH22  ARG  18          HH12      ARG  18  24.927 -22.189  -5.311
  146    H    ALA  19           HN       ALA  19  26.385 -19.073  -6.876
  147    HA   ALA  19           HA       ALA  19  24.472 -19.494  -5.657
  148    HB1  ALA  19           HB1      ALA  19  26.375 -18.082  -4.056
  149    HB2  ALA  19           HB2      ALA  19  25.176 -19.270  -3.545
  150    HB3  ALA  19           HB3      ALA  19  24.755 -17.558  -3.594
  151    H    GLN  20           HN       GLN  20  24.645 -16.979  -7.537
  152    HA   GLN  20           HA       GLN  20  21.899 -16.217  -7.224
  153    HB2  GLN  20           HB2      GLN  20  23.943 -14.636  -5.895
  154    HB3  GLN  20           HB1      GLN  20  23.160 -13.692  -7.169
  155    HG2  GLN  20           HG2      GLN  20  21.641 -15.273  -5.079
  156    HG3  GLN  20           HG1      GLN  20  22.004 -13.555  -4.933
  157   HE21  GLN  20          HE21      GLN  20  20.834 -12.065  -6.301
  158   HE22  GLN  20          HE22      GLN  20  19.512 -12.560  -7.245
  159    H    ASP  21           HN       ASP  21  24.613 -16.825  -8.823
  160    HA   ASP  21           HA       ASP  21  23.710 -15.502 -11.298
  161    HB2  ASP  21           HB2      ASP  21  26.120 -15.014  -9.843
  162    HB3  ASP  21           HB1      ASP  21  26.539 -15.831 -11.351
  163    H    PHE  22           HN       PHE  22  24.848 -18.213  -9.565
  164    HA   PHE  22           HA       PHE  22  26.026 -19.877 -11.390
  165    HB2  PHE  22           HB2      PHE  22  25.415 -21.639 -10.011
  166    HB3  PHE  22           HB1      PHE  22  25.195 -20.279  -8.908
  167    HD1  PHE  22           HD1      PHE  22  23.495 -22.730 -11.063
  168    HD2  PHE  22           HD2      PHE  22  22.980 -19.478  -8.308
  169    HE1  PHE  22           HE1      PHE  22  21.088 -23.265 -10.887
  170    HE2  PHE  22           HE2      PHE  22  20.568 -20.010  -8.123
  171    HZ   PHE  22           HZ       PHE  22  19.615 -21.909  -9.412
  172    H    VAL  23           HN       VAL  23  22.638 -18.956 -11.105
  173    HA   VAL  23           HA       VAL  23  21.353 -20.740 -12.750
  174    HB   VAL  23           HB       VAL  23  20.498 -18.064 -13.429
  175   HG11  VAL  23          HG11      VAL  23  19.312 -20.145 -11.569
  176   HG12  VAL  23          HG12      VAL  23  19.118 -20.147 -13.321
  177   HG13  VAL  23          HG13      VAL  23  18.445 -18.829 -12.362
  178   HG21  VAL  23          HG21      VAL  23  21.756 -17.390 -11.425
  179   HG22  VAL  23          HG22      VAL  23  20.960 -18.654 -10.487
  180   HG23  VAL  23          HG23      VAL  23  20.021 -17.300 -11.115
  181    H    GLN  24           HN       GLN  24  23.456 -18.069 -13.650
  182    HA   GLN  24           HA       GLN  24  22.972 -18.303 -16.473
  183    HB2  GLN  24           HB2      GLN  24  25.283 -16.991 -15.013
  184    HB3  GLN  24           HB1      GLN  24  24.834 -16.740 -16.707
  185    HG2  GLN  24           HG2      GLN  24  22.496 -16.321 -15.135
  186    HG3  GLN  24           HG1      GLN  24  23.807 -15.418 -14.379
  187   HE21  GLN  24          HE21      GLN  24  23.630 -13.296 -15.131
  188   HE22  GLN  24          HE22      GLN  24  23.414 -12.864 -16.758
  189    H    TRP  25           HN       TRP  25  25.102 -19.751 -14.138
  190    HA   TRP  25           HA       TRP  25  27.276 -20.655 -15.464
  191    HB2  TRP  25           HB2      TRP  25  26.549 -21.321 -13.133
  192    HB3  TRP  25           HB1      TRP  25  25.536 -22.557 -13.880
  193    HD1  TRP  25           HD1      TRP  25  29.239 -21.425 -13.938
  194    HE1  TRP  25           HE1      TRP  25  30.712 -23.522 -14.216
  195    HE3  TRP  25           HE3      TRP  25  25.617 -24.999 -14.380
  196    HZ2  TRP  25           HZ2      TRP  25  30.398 -26.342 -14.577
  197    HZ3  TRP  25           HZ3      TRP  25  26.232 -27.380 -14.690
  198    HH2  TRP  25           HH2      TRP  25  28.616 -28.055 -14.788
  199    H    LEU  26           HN       LEU  26  24.476 -22.842 -15.338
  200    HA   LEU  26           HA       LEU  26  25.301 -24.132 -17.779
  201    HB2  LEU  26           HB2      LEU  26  22.989 -25.314 -17.400
  202    HB3  LEU  26           HB1      LEU  26  24.333 -25.655 -16.319
  203    HG   LEU  26           HG       LEU  26  23.469 -24.113 -14.657
  204   HD11  LEU  26          HD11      LEU  26  22.563 -22.337 -15.970
  205   HD12  LEU  26          HD12      LEU  26  21.190 -23.045 -15.124
  206   HD13  LEU  26          HD13      LEU  26  21.470 -23.429 -16.821
  207   HD21  LEU  26          HD21      LEU  26  22.500 -26.433 -14.819
  208   HD22  LEU  26          HD22      LEU  26  21.157 -25.748 -15.734
  209   HD23  LEU  26          HD23      LEU  26  21.424 -25.259 -14.061
  210    H    MET  27           HN       MET  27  24.647 -21.307 -17.986
  211    HA   MET  27           HA       MET  27  22.545 -21.511 -20.048
  212    HB2  MET  27           HB2      MET  27  22.197 -20.198 -17.620
  213    HB3  MET  27           HB1      MET  27  22.610 -18.907 -18.748
  214    HG2  MET  27           HG2      MET  27  20.215 -19.195 -18.826
  215    HG3  MET  27           HG1      MET  27  20.878 -19.843 -20.327
  216    HE1  MET  27           HE1      MET  27  18.648 -20.613 -20.540
  217    HE2  MET  27           HE2      MET  27  17.792 -20.902 -19.027
  218    HE3  MET  27           HE3      MET  27  18.132 -22.249 -20.110
  219    H    ASN  28           HN       ASN  28  25.467 -20.020 -18.842
  220    HA   ASN  28           HA       ASN  28  25.807 -18.578 -21.397
  221    HB2  ASN  28           HB2      ASN  28  26.880 -18.148 -18.627
  222    HB3  ASN  28           HB1      ASN  28  27.743 -17.502 -20.022
  223   HD21  ASN  28          HD21      ASN  28  27.078 -15.350 -18.931
  224   HD22  ASN  28          HD22      ASN  28  25.552 -14.720 -19.330
  225    H    THR  29           HN       THR  29  26.484 -21.489 -20.212
  226    HA   THR  29           HA       THR  29  29.305 -21.611 -20.969
  227    HB   THR  29           HB       THR  29  28.278 -22.848 -18.968
  228    HG1  THR  29           HG1      THR  29  29.491 -24.698 -20.651
  229   HG21  THR  29          HG21      THR  29  27.519 -24.924 -21.000
  230   HG22  THR  29          HG22      THR  29  26.363 -23.664 -20.565
  231   HG23  THR  29          HG23      THR  29  26.985 -24.756 -19.328
  232    H    GGL 101           HN2      LYX  13  32.522 -23.448  -4.437
  233    HA   GGL 101           HA2      LYX  13  33.922 -25.948  -4.406
  234    HB2  GGL 101           HI2      LYX  13  35.133 -24.494  -2.455
  235    HB3  GGL 101           HI1      LYX  13  35.470 -24.297  -4.172
  236    HG2  GGL 101           HH2      LYX  13  34.832 -22.195  -2.690
  237    HG3  GGL 101           HH1      LYX  13  33.195 -22.774  -2.951
  238    H    GGL 102           HN3      LYX  13  30.175 -26.061  -2.463
  239    HA   GGL 102           HA3      LYX  13  30.903 -23.864  -2.755
  240    HB2  GGL 102           HJ2      LYX  13  28.421 -24.227  -4.411
  241    HB3  GGL 102           HJ1      LYX  13  29.137 -22.631  -4.292
  242    HG2  GGL 102           HK2      LYX  13  29.828 -24.463  -6.178
  243    HG3  GGL 102           HK1      LYX  13  30.847 -23.143  -5.645
  244    H21  PLM 103           H22      LYX  13  28.381 -26.881  -0.327
  245    H22  PLM 103           H21      LYX  13  28.474 -25.146  -0.041
  246    H31  PLM 103           H32      LYX  13  25.997 -25.195  -1.006
  247    H32  PLM 103           H31      LYX  13  26.058 -26.875  -0.484
  248    H41  PLM 103           H41      LYX  13  26.724 -24.525   1.322
  249    H42  PLM 103           H42      LYX  13  25.137 -25.285   1.250
  250    H51  PLM 103           H51      LYX  13  27.096 -27.354   1.552
  251    H52  PLM 103           H52      LYX  13  25.822 -26.882   2.672
  252    H61  PLM 103           H62      LYX  13  28.608 -25.704   2.494
  253    H62  PLM 103           H61      LYX  13  27.326 -25.052   3.511
  254    H71  PLM 103           H72      LYX  13  28.511 -27.839   3.679
  255    H72  PLM 103           H71      LYX  13  27.149 -27.270   4.642
  256    H81  PLM 103           H82      LYX  13  30.021 -26.340   4.717
  257    H82  PLM 103           H81      LYX  13  28.720 -25.343   5.365
  258    H91  PLM 103           H91      LYX  13  29.404 -28.174   6.216
  259    H92  PLM 103           H92      LYX  13  28.026 -27.250   6.816
  260    HA1  PLM 103          H102      LYX  13  30.658 -25.884   6.960
  261    HA2  PLM 103          H101      LYX  13  30.450 -27.264   8.038
  262    HB1  PLM 103          H111      LYX  13  28.468 -24.980   7.818
  263    HB2  PLM 103          H112      LYX  13  28.449 -26.290   9.000
  264    HC1  PLM 103          H122      LYX  13  30.733 -24.315   8.726
  265    HC2  PLM 103          H121      LYX  13  30.495 -25.499  10.012
  266    HD1  PLM 103          H132      LYX  13  28.718 -23.114   9.413
  267    HD2  PLM 103          H131      LYX  13  28.379 -24.334  10.640
  268    HE1  PLM 103          H142      LYX  13  31.060 -23.016  10.697
  269    HE2  PLM 103          H141      LYX  13  30.072 -23.602  12.033
  270    HF1  PLM 103          H151      LYX  13  28.434 -21.672  11.241
  271    HF2  PLM 103          H152      LYX  13  29.805 -21.308  12.290
  272    HG1  PLM 103          H162      LYX  13  29.375 -19.928  10.045
  273    HG2  PLM 103          H163      LYX  13  31.009 -20.297  10.594
  274    HG3  PLM 103          H161      LYX  13  30.261 -21.278   9.336
  Start of MODEL    7
    1    H1   HIS   1           HT1      HIS   1  24.271 -31.319   7.159
    2    H2   HIS   1           HT2      HIS   1  22.710 -30.660   7.302
    3    H3   HIS   1           HT3      HIS   1  24.011 -29.967   8.148
    4    HA   HIS   1           HA       HIS   1  24.588 -30.052   5.372
    5    HB2  HIS   1           HB2      HIS   1  22.903 -28.619   4.516
    6    HB3  HIS   1           HB1      HIS   1  22.031 -29.924   5.337
    7    HD2  HIS   1           HD2      HIS   1  21.798 -26.230   5.209
    8    HE1  HIS   1           HE1      HIS   1  20.757 -27.135   9.198
    9    HE2  HIS   1           HE2      HIS   1  20.752 -25.318   7.419
   10    H    AIB   2           HN       AIB   2  25.120 -27.918   4.653
   11   HB11  AIB   2          HB11      AIB   2  27.633 -26.982   6.991
   12   HB12  AIB   2          HB12      AIB   2  27.954 -25.626   5.900
   13   HB13  AIB   2          HB13      AIB   2  27.843 -27.272   5.261
   14   HB21  AIB   2          HB21      AIB   2  25.897 -25.949   7.888
   15   HB22  AIB   2          HB22      AIB   2  24.345 -25.824   7.052
   16   HB23  AIB   2          HB23      AIB   2  25.562 -24.565   6.847
   17    H    GLN   3           HN       GLN   3  23.854 -25.697   4.850
   18    HA   GLN   3           HA       GLN   3  23.818 -25.043   2.378
   19    HB2  GLN   3           HB2      GLN   3  22.986 -22.640   3.147
   20    HB3  GLN   3           HB1      GLN   3  22.036 -24.091   3.433
   21    HG2  GLN   3           HG2      GLN   3  23.025 -24.305   5.661
   22    HG3  GLN   3           HG1      GLN   3  24.001 -22.882   5.375
   23   HE21  GLN   3          HE21      GLN   3  20.686 -23.058   4.190
   24   HE22  GLN   3          HE22      GLN   3  20.034 -21.952   5.303
   25    H    GLY   4           HN       GLY   4  25.587 -23.316   4.646
   26    HA2  GLY   4           HA2      GLY   4  27.444 -21.922   4.540
   27    HA3  GLY   4           HA1      GLY   4  27.699 -22.531   2.908
   28    H    THR   5           HN       THR   5  24.606 -21.442   3.241
   29    HA   THR   5           HA       THR   5  24.604 -19.441   1.403
   30    HB   THR   5           HB       THR   5  22.554 -20.253   2.193
   31    HG1  THR   5           HG1      THR   5  23.133 -17.665   2.316
   32   HG21  THR   5          HG21      THR   5  23.123 -19.146   4.911
   33   HG22  THR   5          HG22      THR   5  23.474 -20.830   4.485
   34   HG23  THR   5          HG23      THR   5  21.819 -20.226   4.439
   35    H    PHE   6           HN       PHE   6  25.867 -19.477   4.425
   36    HA   PHE   6           HA       PHE   6  26.311 -16.587   4.406
   37    HB2  PHE   6           HB2      PHE   6  26.377 -16.677   6.804
   38    HB3  PHE   6           HB1      PHE   6  24.879 -17.394   6.193
   39    HD1  PHE   6           HD1      PHE   6  24.933 -19.948   5.863
   40    HD2  PHE   6           HD2      PHE   6  27.656 -17.865   8.387
   41    HE1  PHE   6           HE1      PHE   6  25.279 -22.017   7.096
   42    HE2  PHE   6           HE2      PHE   6  28.046 -19.955   9.671
   43    HZ   PHE   6           HZ       PHE   6  26.854 -22.044   9.036
   44    H    THR   7           HN       THR   7  27.738 -19.409   5.832
   45    HA   THR   7           HA       THR   7  30.378 -18.267   5.744
   46    HB   THR   7           HB       THR   7  29.767 -19.623   7.642
   47    HG1  THR   7           HG1      THR   7  31.935 -19.858   6.259
   48   HG21  THR   7          HG21      THR   7  28.197 -21.016   6.432
   49   HG22  THR   7          HG22      THR   7  29.319 -21.986   7.373
   50   HG23  THR   7          HG23      THR   7  29.521 -21.834   5.626
   51    H    SER   8           HN       SER   8  28.725 -19.395   3.282
   52    HA   SER   8           HA       SER   8  30.270 -21.419   2.147
   53    HB2  SER   8           HB2      SER   8  28.583 -19.266   0.924
   54    HB3  SER   8           HB1      SER   8  29.550 -20.324  -0.100
   55    HG   SER   8           HG       SER   8  28.385 -22.034   0.534
   56    H    ASP   9           HN       ASP   9  31.208 -18.446   3.010
   57    HA   ASP   9           HA       ASP   9  33.183 -18.073   0.900
   58    HB2  ASP   9           HB2      ASP   9  32.045 -16.127   1.637
   59    HB3  ASP   9           HB1      ASP   9  32.341 -16.514   3.329
   60    H    TYR  10           HN       TYR  10  33.258 -18.039   4.450
   61    HA   TYR  10           HA       TYR  10  36.045 -18.652   4.610
   62    HB2  TYR  10           HB2      TYR  10  34.423 -19.253   6.976
   63    HB3  TYR  10           HB1      TYR  10  35.767 -18.123   6.794
   64    HD1  TYR  10           HD2      TYR  10  35.206 -16.001   5.266
   65    HD2  TYR  10           HD1      TYR  10  32.301 -18.378   7.348
   66    HE1  TYR  10           HE2      TYR  10  33.593 -14.120   5.161
   67    HE2  TYR  10           HE1      TYR  10  30.688 -16.515   7.254
   68    HH   TYR  10           HH       TYR  10  30.697 -14.087   7.006
   69    H    SER  11           HN       SER  11  33.379 -20.467   3.847
   70    HA   SER  11           HA       SER  11  34.435 -22.953   5.007
   71    HB2  SER  11           HB2      SER  11  32.013 -22.356   5.290
   72    HB3  SER  11           HB1      SER  11  31.828 -22.501   3.545
   73    HG   SER  11           HG       SER  11  31.761 -24.579   3.795
   74    H    LYS  12           HN       LYS  12  33.794 -21.317   1.959
   75    HA   LYS  12           HA       LYS  12  34.888 -23.650   0.509
   76    HB2  LYS  12           HB2      LYS  12  33.453 -21.349  -0.793
   77    HB3  LYS  12           HB1      LYS  12  33.744 -22.962  -1.423
   78    HG2  LYS  12           HG2      LYS  12  32.011 -22.478   1.003
   79    HG3  LYS  12           HG1      LYS  12  31.375 -22.418  -0.639
   80    HD2  LYS  12           HD2      LYS  12  32.599 -24.774  -0.845
   81    HD3  LYS  12           HD1      LYS  12  32.424 -24.769   0.907
   82    HE2  LYS  12           HE2      LYS  12  30.402 -25.698   0.390
   83    HE3  LYS  12           HE1      LYS  12  29.930 -24.010   0.193
   84    HZ1  LYS  12           HZ1      LYS  12  29.291 -25.234  -1.744
   85    HZ2  LYS  12           HZ2      LYS  12  30.857 -25.858  -1.937
   86    HZ3  LYS  12           HZ3      LYS  12  30.566 -24.198  -2.169
   87    H    LYS  13           HN       LYX  13  34.730 -20.180  -0.274
   88    HA   LYS  13           HA       LYX  13  37.653 -19.991  -0.352
   89    HB2  LYS  13           HB2      LYX  13  35.938 -19.367  -2.780
   90    HB3  LYS  13           HB1      LYX  13  37.664 -19.084  -2.628
   91    HG2  LYS  13           HG2      LYX  13  37.558 -21.115  -3.820
   92    HG3  LYS  13           HG1      LYX  13  37.849 -21.634  -2.162
   93    HD2  LYS  13           HD2      LYX  13  35.985 -22.895  -2.287
   94    HD3  LYS  13           HD1      LYX  13  35.066 -21.411  -2.397
   95    HE2  LYS  13           HE2      LYX  13  36.263 -22.702  -4.838
   96    HE3  LYS  13           HE1      LYX  13  34.669 -23.135  -4.225
   97    HZ1  LYS  13           HZ1      LYX  13  35.318 -20.347  -4.964
   98    H    LEU  14           HN       LEU  14  35.142 -18.090  -1.944
   99    HA   LEU  14           HA       LEU  14  35.343 -16.016   0.056
  100    HB2  LEU  14           HB2      LEU  14  36.492 -14.494  -1.175
  101    HB3  LEU  14           HB1      LEU  14  37.087 -15.925  -1.998
  102    HG   LEU  14           HG       LEU  14  34.954 -15.624  -3.519
  103   HD11  LEU  14          HD11      LEU  14  35.347 -12.728  -3.168
  104   HD12  LEU  14          HD12      LEU  14  34.550 -13.489  -1.793
  105   HD13  LEU  14          HD13      LEU  14  33.861 -13.636  -3.402
  106   HD21  LEU  14          HD21      LEU  14  36.283 -14.110  -4.984
  107   HD22  LEU  14          HD22      LEU  14  37.245 -15.436  -4.328
  108   HD23  LEU  14          HD23      LEU  14  37.388 -13.819  -3.639
  109    H    ASP  15           HN       ASP  15  33.563 -14.511   0.003
  110    HA   ASP  15           HA       ASP  15  31.148 -15.616  -1.098
  111    HB2  ASP  15           HB2      ASP  15  30.380 -13.164  -0.270
  112    HB3  ASP  15           HB1      ASP  15  30.562 -14.539   0.815
  113    H    AIB  16           HN       AIB  16  32.168 -12.250  -1.366
  114   HB11  AIB  16          HB11      AIB  16  29.790 -10.885  -3.085
  115   HB12  AIB  16          HB12      AIB  16  30.964  -9.695  -3.650
  116   HB13  AIB  16          HB13      AIB  16  30.993 -10.232  -1.970
  117   HB21  AIB  16          HB21      AIB  16  33.022 -10.000  -3.899
  118   HB22  AIB  16          HB22      AIB  16  33.642 -11.562  -4.428
  119   HB23  AIB  16          HB23      AIB  16  33.746 -11.099  -2.729
  120    H    ARG  17           HN       ARG  17  32.888 -13.493  -4.810
  121    HA   ARG  17           HA       ARG  17  31.960 -13.280  -7.307
  122    HB2  ARG  17           HB2      ARG  17  31.555 -16.045  -6.540
  123    HB3  ARG  17           HB1      ARG  17  32.784 -15.345  -7.589
  124    HG2  ARG  17           HG2      ARG  17  34.099 -14.695  -5.605
  125    HG3  ARG  17           HG1      ARG  17  32.873 -15.414  -4.564
  126    HD2  ARG  17           HD2      ARG  17  35.087 -16.714  -5.758
  127    HD3  ARG  17           HD1      ARG  17  33.791 -17.450  -4.816
  128    HE   ARG  17           HE       ARG  17  32.656 -17.277  -7.249
  129   HH11  ARG  17          HH21      ARG  17  35.781 -18.327  -6.193
  130   HH12  ARG  17          HH22      ARG  17  35.979 -19.475  -7.475
  131   HH21  ARG  17          HH11      ARG  17  32.910 -18.780  -8.931
  132   HH22  ARG  17          HH12      ARG  17  34.354 -19.731  -9.024
  133    H    ARG  18           HN       ARG  18  30.105 -14.534  -4.596
  134    HA   ARG  18           HA       ARG  18  27.646 -14.225  -6.198
  135    HB2  ARG  18           HB2      ARG  18  28.174 -16.387  -4.154
  136    HB3  ARG  18           HB1      ARG  18  26.676 -16.142  -5.051
  137    HG2  ARG  18           HG2      ARG  18  27.626 -16.815  -7.086
  138    HG3  ARG  18           HG1      ARG  18  29.270 -16.508  -6.538
  139    HD2  ARG  18           HD2      ARG  18  28.981 -18.888  -6.581
  140    HD3  ARG  18           HD1      ARG  18  28.964 -18.409  -4.890
  141    HE   ARG  18           HE       ARG  18  26.673 -18.907  -4.806
  142   HH11  ARG  18          HH21      ARG  18  27.932 -19.086  -8.027
  143   HH12  ARG  18          HH22      ARG  18  26.538 -19.885  -8.672
  144   HH21  ARG  18          HH11      ARG  18  24.843 -19.951  -5.650
  145   HH22  ARG  18          HH12      ARG  18  24.790 -20.374  -7.329
  146    H    ALA  19           HN       ALA  19  26.800 -15.439  -3.299
  147    HA   ALA  19           HA       ALA  19  25.628 -14.469  -1.556
  148    HB1  ALA  19           HB1      ALA  19  27.720 -12.448  -1.087
  149    HB2  ALA  19           HB2      ALA  19  28.319 -14.102  -1.221
  150    HB3  ALA  19           HB3      ALA  19  27.100 -13.701  -0.011
  151    H    GLN  20           HN       GLN  20  25.603 -13.166  -4.343
  152    HA   GLN  20           HA       GLN  20  23.806 -11.047  -3.709
  153    HB2  GLN  20           HB2      GLN  20  26.434 -10.255  -3.464
  154    HB3  GLN  20           HB1      GLN  20  26.074  -9.830  -5.138
  155    HG2  GLN  20           HG2      GLN  20  24.050  -8.616  -4.388
  156    HG3  GLN  20           HG1      GLN  20  24.440  -9.016  -2.717
  157   HE21  GLN  20          HE21      GLN  20  27.175  -8.402  -4.768
  158   HE22  GLN  20          HE22      GLN  20  27.508  -6.838  -4.199
  159    H    ASP  21           HN       ASP  21  23.989 -13.421  -5.312
  160    HA   ASP  21           HA       ASP  21  22.918 -12.444  -7.776
  161    HB2  ASP  21           HB2      ASP  21  25.763 -13.020  -7.592
  162    HB3  ASP  21           HB1      ASP  21  24.967 -14.025  -8.805
  163    H    PHE  22           HN       PHE  22  24.437 -15.109  -6.062
  164    HA   PHE  22           HA       PHE  22  24.129 -17.391  -6.223
  165    HB2  PHE  22           HB2      PHE  22  21.646 -17.910  -5.611
  166    HB3  PHE  22           HB1      PHE  22  22.684 -17.096  -4.455
  167    HD1  PHE  22           HD1      PHE  22  22.694 -14.446  -4.614
  168    HD2  PHE  22           HD2      PHE  22  19.561 -16.991  -6.080
  169    HE1  PHE  22           HE1      PHE  22  21.098 -12.550  -4.500
  170    HE2  PHE  22           HE2      PHE  22  17.970 -15.101  -5.972
  171    HZ   PHE  22           HZ       PHE  22  18.736 -12.877  -5.182
  172    H    VAL  23           HN       VAL  23  20.882 -16.737  -7.410
  173    HA   VAL  23           HA       VAL  23  21.553 -18.313  -9.804
  174    HB   VAL  23           HB       VAL  23  19.242 -18.906  -9.945
  175   HG11  VAL  23          HG11      VAL  23  19.228 -19.094  -7.049
  176   HG12  VAL  23          HG12      VAL  23  20.828 -19.464  -7.693
  177   HG13  VAL  23          HG13      VAL  23  19.423 -20.375  -8.245
  178   HG21  VAL  23          HG21      VAL  23  18.944 -16.487  -8.270
  179   HG22  VAL  23          HG22      VAL  23  17.878 -17.823  -7.839
  180   HG23  VAL  23          HG23      VAL  23  17.847 -17.163  -9.474
  181    H    GLN  24           HN       GLN  24  22.358 -15.650  -9.811
  182    HA   GLN  24           HA       GLN  24  22.088 -13.637 -10.924
  183    HB2  GLN  24           HB2      GLN  24  20.994 -15.557 -12.998
  184    HB3  GLN  24           HB1      GLN  24  21.639 -13.938 -13.310
  185    HG2  GLN  24           HG2      GLN  24  23.726 -14.765 -13.394
  186    HG3  GLN  24           HG1      GLN  24  23.556 -15.400 -11.758
  187   HE21  GLN  24          HE21      GLN  24  23.723 -16.278 -15.103
  188   HE22  GLN  24          HE22      GLN  24  23.407 -17.933 -14.901
  189    H    TRP  25           HN       TRP  25  19.740 -14.644  -9.299
  190    HA   TRP  25           HA       TRP  25  17.284 -14.205 -10.525
  191    HB2  TRP  25           HB2      TRP  25  17.220 -14.922  -8.268
  192    HB3  TRP  25           HB1      TRP  25  18.227 -13.577  -7.732
  193    HD1  TRP  25           HD1      TRP  25  14.671 -14.381  -8.900
  194    HE1  TRP  25           HE1      TRP  25  13.119 -12.441  -8.205
  195    HE3  TRP  25           HE3      TRP  25  18.125 -11.087  -7.118
  196    HZ2  TRP  25           HZ2      TRP  25  13.326  -9.827  -7.047
  197    HZ3  TRP  25           HZ3      TRP  25  17.442  -8.883  -6.236
  198    HH2  TRP  25           HH2      TRP  25  15.040  -8.247  -6.191
  199    H    LEU  26           HN       LEU  26  19.230 -11.776  -8.808
  200    HA   LEU  26           HA       LEU  26  17.828  -9.492  -9.215
  201    HB2  LEU  26           HB2      LEU  26  20.502  -8.833  -9.925
  202    HB3  LEU  26           HB1      LEU  26  19.702  -8.617  -8.370
  203    HG   LEU  26           HG       LEU  26  20.324 -10.932  -7.737
  204   HD11  LEU  26          HD11      LEU  26  22.356 -11.364  -9.744
  205   HD12  LEU  26          HD12      LEU  26  20.781 -11.236 -10.515
  206   HD13  LEU  26          HD13      LEU  26  21.046 -12.437  -9.248
  207   HD21  LEU  26          HD21      LEU  26  22.983 -10.163  -8.403
  208   HD22  LEU  26          HD22      LEU  26  22.142  -9.964  -6.866
  209   HD23  LEU  26          HD23      LEU  26  22.057  -8.696  -8.090
  210    H    MET  27           HN       MET  27  19.355 -11.426 -11.655
  211    HA   MET  27           HA       MET  27  18.906  -9.344 -13.688
  212    HB2  MET  27           HB2      MET  27  20.652 -11.752 -13.497
  213    HB3  MET  27           HB1      MET  27  20.075 -11.282 -15.096
  214    HG2  MET  27           HG2      MET  27  21.159  -9.213 -15.026
  215    HG3  MET  27           HG1      MET  27  21.230  -9.200 -13.263
  216    HE1  MET  27           HE1      MET  27  24.059  -8.638 -15.179
  217    HE2  MET  27           HE2      MET  27  24.863  -9.154 -13.698
  218    HE3  MET  27           HE3      MET  27  23.352  -8.253 -13.604
  219    H    ASN  28           HN       ASN  28  18.424 -12.869 -13.344
  220    HA   ASN  28           HA       ASN  28  16.740 -13.319 -15.467
  221    HB2  ASN  28           HB2      ASN  28  17.286 -14.623 -12.912
  222    HB3  ASN  28           HB1      ASN  28  15.638 -14.894 -13.474
  223   HD21  ASN  28          HD21      ASN  28  15.607 -16.867 -14.562
  224   HD22  ASN  28          HD22      ASN  28  16.776 -17.373 -15.683
  225    H    THR  29           HN       THR  29  16.140 -11.366 -12.742
  226    HA   THR  29           HA       THR  29  13.567 -10.580 -13.721
  227    HB   THR  29           HB       THR  29  13.668 -12.131 -11.123
  228    HG1  THR  29           HG1      THR  29  12.931 -13.714 -12.273
  229   HG21  THR  29          HG21      THR  29  11.500 -10.516 -12.476
  230   HG22  THR  29          HG22      THR  29  12.137 -10.317 -10.843
  231   HG23  THR  29          HG23      THR  29  11.156 -11.728 -11.241
  232    H    GGL 101           HN2      LYX  13  30.635 -22.198  -3.316
  233    HA   GGL 101           HA2      LYX  13  31.357 -20.312  -1.655
  234    HB2  GGL 101           HI2      LYX  13  33.364 -19.881  -3.016
  235    HB3  GGL 101           HI1      LYX  13  32.916 -21.588  -3.058
  236    HG2  GGL 101           HH2      LYX  13  32.503 -19.514  -5.171
  237    HG3  GGL 101           HH1      LYX  13  31.550 -21.000  -5.115
  238    H    GGL 102           HN3      LYX  13  28.181 -25.454  -3.260
  239    HA   GGL 102           HA3      LYX  13  29.133 -23.216  -2.604
  240    HB2  GGL 102           HJ2      LYX  13  28.538 -23.881  -4.973
  241    HB3  GGL 102           HJ1      LYX  13  26.976 -23.114  -4.728
  242    HG2  GGL 102           HK2      LYX  13  29.467 -21.919  -5.486
  243    HG3  GGL 102           HK1      LYX  13  27.887 -21.167  -5.364
  244    H21  PLM 103           H22      LYX  13  26.832 -27.055  -2.417
  245    H22  PLM 103           H21      LYX  13  26.849 -27.049  -0.655
  246    H31  PLM 103           H32      LYX  13  24.690 -25.807  -2.390
  247    H32  PLM 103           H31      LYX  13  24.554 -27.345  -1.541
  248    H41  PLM 103           H41      LYX  13  24.887 -26.172   0.623
  249    H42  PLM 103           H42      LYX  13  24.997 -24.641  -0.244
  250    H51  PLM 103           H51      LYX  13  22.639 -26.041   0.610
  251    H52  PLM 103           H52      LYX  13  22.634 -25.930  -1.150
  252    H61  PLM 103           H62      LYX  13  23.147 -23.570   0.686
  253    H62  PLM 103           H61      LYX  13  22.908 -23.524  -1.060
  254    H71  PLM 103           H72      LYX  13  20.832 -24.539   0.903
  255    H72  PLM 103           H71      LYX  13  20.610 -24.258  -0.823
  256    H81  PLM 103           H82      LYX  13  21.401 -22.068   1.114
  257    H82  PLM 103           H81      LYX  13  20.858 -21.883  -0.553
  258    H91  PLM 103           H91      LYX  13  19.159 -23.076   1.657
  259    H92  PLM 103           H92      LYX  13  18.637 -22.666   0.023
  260    HA1  PLM 103          H102      LYX  13  17.966 -20.720   1.024
  261    HA2  PLM 103          H101      LYX  13  19.659 -20.276   0.808
  262    HB1  PLM 103          H111      LYX  13  18.442 -21.526   3.291
  263    HB2  PLM 103          H112      LYX  13  20.155 -21.163   3.078
  264    HC1  PLM 103          H122      LYX  13  17.901 -19.133   2.982
  265    HC2  PLM 103          H121      LYX  13  19.616 -18.774   2.780
  266    HD1  PLM 103          H132      LYX  13  18.082 -19.285   5.238
  267    HD2  PLM 103          H131      LYX  13  19.581 -20.207   5.142
  268    HE1  PLM 103          H142      LYX  13  19.322 -17.203   4.798
  269    HE2  PLM 103          H141      LYX  13  20.825 -18.116   4.667
  270    HF1  PLM 103          H151      LYX  13  19.901 -16.985   6.988
  271    HF2  PLM 103          H152      LYX  13  19.299 -18.637   7.138
  272    HG1  PLM 103          H162      LYX  13  21.545 -18.484   8.106
  273    HG2  PLM 103          H163      LYX  13  21.590 -19.484   6.656
  274    HG3  PLM 103          H161      LYX  13  22.172 -17.821   6.597
  Start of MODEL    8
    1    H1   HIS   1           HT1      HIS   1  25.055 -31.156   7.282
    2    H2   HIS   1           HT2      HIS   1  23.425 -31.076   6.808
    3    H3   HIS   1           HT3      HIS   1  24.042 -29.957   7.926
    4    HA   HIS   1           HA       HIS   1  25.364 -30.063   5.330
    5    HB2  HIS   1           HB2      HIS   1  23.716 -28.754   4.217
    6    HB3  HIS   1           HB1      HIS   1  22.869 -30.170   4.862
    7    HD2  HIS   1           HD2      HIS   1  22.390 -26.468   4.816
    8    HE1  HIS   1           HE1      HIS   1  20.582 -27.689   8.428
    9    HE2  HIS   1           HE2      HIS   1  20.846 -25.758   6.797
   10    H    AIB   2           HN       AIB   2  25.654 -27.837   4.629
   11   HB11  AIB   2          HB11      AIB   2  28.121 -25.255   6.001
   12   HB12  AIB   2          HB12      AIB   2  28.217 -26.887   5.322
   13   HB13  AIB   2          HB13      AIB   2  27.951 -26.664   7.053
   14   HB21  AIB   2          HB21      AIB   2  25.645 -24.518   6.962
   15   HB22  AIB   2          HB22      AIB   2  26.061 -25.920   7.947
   16   HB23  AIB   2          HB23      AIB   2  24.536 -25.885   7.058
   17    H    GLN   3           HN       GLN   3  24.064 -25.731   4.890
   18    HA   GLN   3           HA       GLN   3  23.942 -25.046   2.455
   19    HB2  GLN   3           HB2      GLN   3  23.002 -22.680   3.147
   20    HB3  GLN   3           HB1      GLN   3  22.139 -24.165   3.514
   21    HG2  GLN   3           HG2      GLN   3  24.155 -23.463   5.520
   22    HG3  GLN   3           HG1      GLN   3  22.885 -22.273   5.367
   23   HE21  GLN   3          HE21      GLN   3  20.687 -23.976   4.721
   24   HE22  GLN   3          HE22      GLN   3  20.358 -24.939   6.079
   25    H    GLY   4           HN       GLY   4  25.652 -23.153   4.628
   26    HA2  GLY   4           HA2      GLY   4  27.490 -21.756   4.465
   27    HA3  GLY   4           HA1      GLY   4  27.739 -22.409   2.849
   28    H    THR   5           HN       THR   5  24.658 -21.339   2.982
   29    HA   THR   5           HA       THR   5  24.779 -19.311   1.172
   30    HB   THR   5           HB       THR   5  22.636 -19.983   1.732
   31    HG1  THR   5           HG1      THR   5  22.001 -17.921   3.133
   32   HG21  THR   5          HG21      THR   5  21.840 -20.495   3.806
   33   HG22  THR   5          HG22      THR   5  22.714 -19.171   4.568
   34   HG23  THR   5          HG23      THR   5  23.554 -20.654   4.137
   35    H    PHE   6           HN       PHE   6  25.700 -19.389   4.342
   36    HA   PHE   6           HA       PHE   6  26.303 -16.523   4.338
   37    HB2  PHE   6           HB2      PHE   6  26.070 -16.547   6.713
   38    HB3  PHE   6           HB1      PHE   6  24.629 -17.243   5.960
   39    HD1  PHE   6           HD1      PHE   6  24.560 -19.757   5.764
   40    HD2  PHE   6           HD2      PHE   6  27.225 -17.755   8.413
   41    HE1  PHE   6           HE1      PHE   6  24.709 -21.807   7.075
   42    HE2  PHE   6           HE2      PHE   6  27.399 -19.821   9.781
   43    HZ   PHE   6           HZ       PHE   6  26.137 -21.859   9.120
   44    H    THR   7           HN       THR   7  27.396 -19.392   5.952
   45    HA   THR   7           HA       THR   7  30.066 -18.364   6.167
   46    HB   THR   7           HB       THR   7  29.197 -19.624   8.019
   47    HG1  THR   7           HG1      THR   7  30.870 -21.482   7.723
   48   HG21  THR   7          HG21      THR   7  28.599 -21.930   7.813
   49   HG22  THR   7          HG22      THR   7  29.132 -21.954   6.131
   50   HG23  THR   7          HG23      THR   7  27.725 -21.013   6.596
   51    H    SER   8           HN       SER   8  28.658 -19.633   3.583
   52    HA   SER   8           HA       SER   8  30.198 -21.702   2.650
   53    HB2  SER   8           HB2      SER   8  28.525 -20.990   1.152
   54    HB3  SER   8           HB1      SER   8  29.088 -19.317   1.218
   55    HG   SER   8           HG       SER   8  31.041 -21.010   0.412
   56    H    ASP   9           HN       ASP   9  30.818 -18.393   2.016
   57    HA   ASP   9           HA       ASP   9  33.205 -18.243   0.884
   58    HB2  ASP   9           HB2      ASP   9  31.690 -16.456   1.942
   59    HB3  ASP   9           HB1      ASP   9  32.713 -16.650   3.366
   60    H    TYR  10           HN       TYR  10  32.973 -18.348   4.466
   61    HA   TYR  10           HA       TYR  10  35.751 -18.736   4.864
   62    HB2  TYR  10           HB2      TYR  10  33.886 -19.811   6.909
   63    HB3  TYR  10           HB1      TYR  10  35.267 -18.734   7.098
   64    HD1  TYR  10           HD2      TYR  10  34.600 -16.572   5.175
   65    HD2  TYR  10           HD1      TYR  10  32.102 -18.682   7.961
   66    HE1  TYR  10           HE2      TYR  10  33.062 -14.629   5.277
   67    HE2  TYR  10           HE1      TYR  10  30.563 -16.760   8.056
   68    HH   TYR  10           HH       TYR  10  31.378 -13.704   6.964
   69    H    SER  11           HN       SER  11  33.098 -20.859   4.239
   70    HA   SER  11           HA       SER  11  34.746 -23.238   4.749
   71    HB2  SER  11           HB2      SER  11  32.037 -22.620   5.167
   72    HB3  SER  11           HB1      SER  11  32.060 -23.772   3.834
   73    HG   SER  11           HG       SER  11  32.994 -24.043   6.474
   74    H    LYS  12           HN       LYS  12  34.811 -21.235   2.405
   75    HA   LYS  12           HA       LYS  12  34.966 -23.287   0.330
   76    HB2  LYS  12           HB2      LYS  12  33.200 -20.854   0.233
   77    HB3  LYS  12           HB1      LYS  12  33.837 -21.554  -1.244
   78    HG2  LYS  12           HG2      LYS  12  32.268 -23.106   0.829
   79    HG3  LYS  12           HG1      LYS  12  31.568 -22.408  -0.627
   80    HD2  LYS  12           HD2      LYS  12  33.620 -23.769  -1.743
   81    HD3  LYS  12           HD1      LYS  12  33.334 -24.788  -0.336
   82    HE2  LYS  12           HE2      LYS  12  31.852 -25.751  -1.797
   83    HE3  LYS  12           HE1      LYS  12  30.800 -24.502  -1.136
   84    HZ1  LYS  12           HZ1      LYS  12  31.396 -23.066  -2.976
   85    HZ2  LYS  12           HZ2      LYS  12  30.773 -24.530  -3.567
   86    HZ3  LYS  12           HZ3      LYS  12  32.445 -24.242  -3.598
   87    H    LYS  13           HN       LYX  13  34.891 -19.834  -0.241
   88    HA   LYS  13           HA       LYX  13  37.760 -19.509  -0.181
   89    HB2  LYS  13           HB2      LYX  13  37.342 -18.831  -2.829
   90    HB3  LYS  13           HB1      LYX  13  38.146 -20.296  -2.260
   91    HG2  LYS  13           HG2      LYX  13  36.183 -21.603  -2.474
   92    HG3  LYS  13           HG1      LYX  13  35.147 -20.184  -2.541
   93    HD2  LYS  13           HD2      LYX  13  36.005 -19.601  -4.739
   94    HD3  LYS  13           HD1      LYX  13  37.153 -20.940  -4.672
   95    HE2  LYS  13           HE2      LYX  13  35.375 -21.839  -5.930
   96    HE3  LYS  13           HE1      LYX  13  35.045 -22.434  -4.309
   97    HZ1  LYS  13           HZ1      LYX  13  33.521 -20.432  -5.771
   98    H    LEU  14           HN       LEU  14  35.602 -18.041  -2.536
   99    HA   LEU  14           HA       LEU  14  35.612 -15.560  -0.964
  100    HB2  LEU  14           HB2      LEU  14  37.293 -15.327  -2.685
  101    HB3  LEU  14           HB1      LEU  14  36.164 -15.886  -3.914
  102    HG   LEU  14           HG       LEU  14  34.776 -13.902  -3.608
  103   HD11  LEU  14          HD11      LEU  14  35.881 -12.076  -2.076
  104   HD12  LEU  14          HD12      LEU  14  36.621 -13.464  -1.280
  105   HD13  LEU  14          HD13      LEU  14  34.866 -13.321  -1.350
  106   HD21  LEU  14          HD21      LEU  14  36.143 -12.546  -4.834
  107   HD22  LEU  14          HD22      LEU  14  37.223 -13.940  -4.792
  108   HD23  LEU  14          HD23      LEU  14  37.444 -12.617  -3.646
  109    H    ASP  15           HN       ASP  15  33.667 -14.559  -0.793
  110    HA   ASP  15           HA       ASP  15  31.420 -15.708  -2.316
  111    HB2  ASP  15           HB2      ASP  15  31.754 -14.707   0.395
  112    HB3  ASP  15           HB1      ASP  15  30.380 -13.962  -0.416
  113    H    AIB  16           HN       AIB  16  33.162 -12.743  -1.683
  114   HB11  AIB  16          HB11      AIB  16  31.206  -9.598  -2.288
  115   HB12  AIB  16          HB12      AIB  16  30.611 -11.133  -1.656
  116   HB13  AIB  16          HB13      AIB  16  30.264 -10.673  -3.324
  117   HB21  AIB  16          HB21      AIB  16  34.207 -10.455  -3.415
  118   HB22  AIB  16          HB22      AIB  16  33.923 -10.773  -1.703
  119   HB23  AIB  16          HB23      AIB  16  33.131  -9.407  -2.489
  120    H    ARG  17           HN       ARG  17  33.270 -13.229  -4.384
  121    HA   ARG  17           HA       ARG  17  33.358 -12.036  -6.915
  122    HB2  ARG  17           HB2      ARG  17  33.364 -14.419  -7.778
  123    HB3  ARG  17           HB1      ARG  17  34.597 -14.055  -6.573
  124    HG2  ARG  17           HG2      ARG  17  33.096 -14.980  -4.814
  125    HG3  ARG  17           HG1      ARG  17  31.950 -15.430  -6.069
  126    HD2  ARG  17           HD2      ARG  17  34.337 -16.457  -7.016
  127    HD3  ARG  17           HD1      ARG  17  34.444 -16.740  -5.278
  128    HE   ARG  17           HE       ARG  17  31.976 -17.643  -5.787
  129   HH11  ARG  17          HH21      ARG  17  34.974 -18.073  -7.469
  130   HH12  ARG  17          HH22      ARG  17  34.563 -19.643  -8.076
  131   HH21  ARG  17          HH11      ARG  17  31.440 -19.699  -6.573
  132   HH22  ARG  17          HH12      ARG  17  32.563 -20.563  -7.569
  133    H    ARG  18           HN       ARG  18  30.824 -13.904  -5.308
  134    HA   ARG  18           HA       ARG  18  28.912 -12.874  -7.293
  135    HB2  ARG  18           HB2      ARG  18  27.703 -15.007  -7.251
  136    HB3  ARG  18           HB1      ARG  18  29.333 -15.207  -7.877
  137    HG2  ARG  18           HG2      ARG  18  29.784 -15.652  -5.239
  138    HG3  ARG  18           HG1      ARG  18  28.126 -16.238  -5.370
  139    HD2  ARG  18           HD2      ARG  18  30.432 -17.107  -7.120
  140    HD3  ARG  18           HD1      ARG  18  29.725 -18.051  -5.813
  141    HE   ARG  18           HE       ARG  18  27.778 -17.243  -7.773
  142   HH11  ARG  18          HH21      ARG  18  30.259 -19.518  -6.975
  143   HH12  ARG  18          HH22      ARG  18  29.608 -20.784  -7.960
  144   HH21  ARG  18          HH11      ARG  18  26.917 -18.898  -9.068
  145   HH22  ARG  18          HH12      ARG  18  27.715 -20.434  -9.145
  146    H    ALA  19           HN       ALA  19  27.077 -14.828  -5.585
  147    HA   ALA  19           HA       ALA  19  25.545 -14.494  -3.900
  148    HB1  ALA  19           HB1      ALA  19  26.556 -14.430  -1.883
  149    HB2  ALA  19           HB2      ALA  19  27.226 -12.829  -2.195
  150    HB3  ALA  19           HB3      ALA  19  28.079 -14.267  -2.757
  151    H    GLN  20           HN       GLN  20  26.507 -12.327  -5.956
  152    HA   GLN  20           HA       GLN  20  24.453 -10.414  -5.324
  153    HB2  GLN  20           HB2      GLN  20  27.170  -9.900  -4.426
  154    HB3  GLN  20           HB1      GLN  20  26.664  -8.702  -5.622
  155    HG2  GLN  20           HG2      GLN  20  24.602  -8.279  -4.330
  156    HG3  GLN  20           HG1      GLN  20  25.109  -9.469  -3.133
  157   HE21  GLN  20          HE21      GLN  20  27.866  -8.830  -2.908
  158   HE22  GLN  20          HE22      GLN  20  28.014  -7.262  -2.275
  159    H    ASP  21           HN       ASP  21  25.748 -12.297  -7.334
  160    HA   ASP  21           HA       ASP  21  25.236 -10.684  -9.689
  161    HB2  ASP  21           HB2      ASP  21  27.920 -11.232  -8.721
  162    HB3  ASP  21           HB1      ASP  21  27.661 -11.889 -10.341
  163    H    PHE  22           HN       PHE  22  26.496 -13.719  -8.374
  164    HA   PHE  22           HA       PHE  22  26.450 -15.870  -9.246
  165    HB2  PHE  22           HB2      PHE  22  23.869 -16.447  -9.603
  166    HB3  PHE  22           HB1      PHE  22  24.558 -16.202  -7.999
  167    HD1  PHE  22           HD1      PHE  22  24.580 -13.693  -7.148
  168    HD2  PHE  22           HD2      PHE  22  22.002 -15.207 -10.230
  169    HE1  PHE  22           HE1      PHE  22  23.020 -11.802  -6.775
  170    HE2  PHE  22           HE2      PHE  22  20.449 -13.319  -9.865
  171    HZ   PHE  22           HZ       PHE  22  20.953 -11.613  -8.136
  172    H    VAL  23           HN       VAL  23  23.594 -14.889 -11.031
  173    HA   VAL  23           HA       VAL  23  24.911 -15.752 -13.511
  174    HB   VAL  23           HB       VAL  23  22.727 -16.078 -14.409
  175   HG11  VAL  23          HG11      VAL  23  21.912 -16.970 -11.758
  176   HG12  VAL  23          HG12      VAL  23  23.606 -17.349 -12.078
  177   HG13  VAL  23          HG13      VAL  23  22.351 -17.928 -13.174
  178   HG21  VAL  23          HG21      VAL  23  20.840 -15.447 -12.536
  179   HG22  VAL  23          HG22      VAL  23  21.279 -14.403 -13.885
  180   HG23  VAL  23          HG23      VAL  23  21.995 -14.137 -12.299
  181    H    GLN  24           HN       GLN  24  25.731 -13.262 -12.537
  182    HA   GLN  24           HA       GLN  24  26.019 -11.082 -13.196
  183    HB2  GLN  24           HB2      GLN  24  24.736 -12.052 -15.760
  184    HB3  GLN  24           HB1      GLN  24  25.658 -10.556 -15.558
  185    HG2  GLN  24           HG2      GLN  24  27.684 -11.696 -15.243
  186    HG3  GLN  24           HG1      GLN  24  26.878 -13.207 -14.822
  187   HE21  GLN  24          HE21      GLN  24  26.097 -11.123 -17.625
  188   HE22  GLN  24          HE22      GLN  24  26.518 -12.278 -18.797
  189    H    TRP  25           HN       TRP  25  23.795 -11.605 -11.629
  190    HA   TRP  25           HA       TRP  25  21.669 -10.868 -11.105
  191    HB2  TRP  25           HB2      TRP  25  23.474  -8.752 -11.357
  192    HB3  TRP  25           HB1      TRP  25  22.038  -8.190 -12.203
  193    HD1  TRP  25           HD1      TRP  25  23.355  -7.749  -9.021
  194    HE1  TRP  25           HE1      TRP  25  21.581  -7.643  -7.152
  195    HE3  TRP  25           HE3      TRP  25  19.368  -9.808 -11.450
  196    HZ2  TRP  25           HZ2      TRP  25  18.832  -8.344  -6.747
  197    HZ3  TRP  25           HZ3      TRP  25  17.202 -10.083 -10.329
  198    HH2  TRP  25           HH2      TRP  25  16.917  -9.351  -7.967
  199    H    LEU  26           HN       LEU  26  21.102 -12.372 -12.980
  200    HA   LEU  26           HA       LEU  26  19.963 -12.806 -14.939
  201    HB2  LEU  26           HB2      LEU  26  18.443 -10.956 -13.235
  202    HB3  LEU  26           HB1      LEU  26  17.932 -10.926 -14.921
  203    HG   LEU  26           HG       LEU  26  16.721 -12.630 -13.531
  204   HD11  LEU  26          HD11      LEU  26  18.012 -14.500 -15.275
  205   HD12  LEU  26          HD12      LEU  26  17.929 -12.941 -16.094
  206   HD13  LEU  26          HD13      LEU  26  16.456 -13.699 -15.490
  207   HD21  LEU  26          HD21      LEU  26  18.969 -14.519 -13.581
  208   HD22  LEU  26          HD22      LEU  26  17.820 -14.179 -12.289
  209   HD23  LEU  26          HD23      LEU  26  19.239 -13.156 -12.496
  210    H    MET  27           HN       MET  27  22.199 -10.856 -15.093
  211    HA   MET  27           HA       MET  27  23.183  -9.783 -16.891
  212    HB2  MET  27           HB2      MET  27  21.249 -11.088 -18.184
  213    HB3  MET  27           HB1      MET  27  20.619  -9.452 -18.373
  214    HG2  MET  27           HG2      MET  27  22.013  -9.700 -20.250
  215    HG3  MET  27           HG1      MET  27  23.041  -8.844 -19.100
  216    HE1  MET  27           HE1      MET  27  24.396 -12.155 -21.418
  217    HE2  MET  27           HE2      MET  27  24.090 -10.433 -21.624
  218    HE3  MET  27           HE3      MET  27  22.735 -11.551 -21.503
  219    H    ASN  28           HN       ASN  28  23.612  -7.969 -15.685
  220    HA   ASN  28           HA       ASN  28  23.313  -5.853 -14.783
  221    HB2  ASN  28           HB2      ASN  28  22.247  -5.500 -17.593
  222    HB3  ASN  28           HB1      ASN  28  22.760  -4.191 -16.530
  223   HD21  ASN  28          HD21      ASN  28  25.129  -4.793 -15.517
  224   HD22  ASN  28          HD22      ASN  28  26.260  -5.267 -16.691
  225    H    THR  29           HN       THR  29  21.093  -7.637 -14.237
  226    HA   THR  29           HA       THR  29  18.774  -5.828 -14.384
  227    HB   THR  29           HB       THR  29  18.631  -8.621 -13.311
  228    HG1  THR  29           HG1      THR  29  18.077  -8.638 -15.885
  229   HG21  THR  29          HG21      THR  29  16.761  -6.729 -13.554
  230   HG22  THR  29          HG22      THR  29  16.390  -8.432 -13.817
  231   HG23  THR  29          HG23      THR  29  16.683  -7.372 -15.195
  232    H    GGL 101           HN2      LYX  13  30.940 -20.757  -4.553
  233    HA   GGL 101           HA2      LYX  13  29.394 -20.118  -2.360
  234    HB2  GGL 101           HI2      LYX  13  31.532 -18.682  -1.770
  235    HB3  GGL 101           HI1      LYX  13  31.605 -20.437  -1.814
  236    HG2  GGL 101           HH2      LYX  13  33.339 -18.901  -3.143
  237    HG3  GGL 101           HH1      LYX  13  32.100 -19.016  -4.383
  238    H    GGL 102           HN3      LYX  13  29.863 -24.629  -2.749
  239    HA   GGL 102           HA3      LYX  13  29.808 -22.262  -3.129
  240    HB2  GGL 102           HJ2      LYX  13  29.884 -23.736  -5.120
  241    HB3  GGL 102           HJ1      LYX  13  28.130 -23.725  -5.189
  242    HG2  GGL 102           HK2      LYX  13  29.986 -21.876  -6.325
  243    HG3  GGL 102           HK1      LYX  13  28.235 -21.884  -6.471
  244    H21  PLM 103           H22      LYX  13  26.479 -25.494  -2.533
  245    H22  PLM 103           H21      LYX  13  27.976 -26.421  -2.478
  246    H31  PLM 103           H32      LYX  13  26.727 -27.349  -0.716
  247    H32  PLM 103           H31      LYX  13  27.755 -26.177   0.110
  248    H41  PLM 103           H41      LYX  13  25.702 -25.583   1.003
  249    H42  PLM 103           H42      LYX  13  25.714 -24.550  -0.430
  250    H51  PLM 103           H51      LYX  13  24.284 -27.183  -0.029
  251    H52  PLM 103           H52      LYX  13  24.576 -26.528  -1.639
  252    H61  PLM 103           H62      LYX  13  23.483 -24.536   0.217
  253    H62  PLM 103           H61      LYX  13  22.953 -24.965  -1.409
  254    H71  PLM 103           H72      LYX  13  22.344 -26.540   1.112
  255    H72  PLM 103           H71      LYX  13  21.801 -26.955  -0.514
  256    H81  PLM 103           H82      LYX  13  21.193 -24.232   0.612
  257    H82  PLM 103           H81      LYX  13  20.328 -25.138  -0.628
  258    H91  PLM 103           H91      LYX  13  20.448 -25.897   2.309
  259    H92  PLM 103           H92      LYX  13  19.529 -26.731   1.057
  260    HA1  PLM 103          H102      LYX  13  17.869 -25.354   1.894
  261    HA2  PLM 103          H101      LYX  13  18.543 -24.281   0.668
  262    HB1  PLM 103          H111      LYX  13  19.298 -24.314   3.607
  263    HB2  PLM 103          H112      LYX  13  20.007 -23.257   2.385
  264    HC1  PLM 103          H122      LYX  13  17.216 -23.240   3.512
  265    HC2  PLM 103          H121      LYX  13  17.527 -22.569   1.911
  266    HD1  PLM 103          H132      LYX  13  19.135 -21.002   2.808
  267    HD2  PLM 103          H131      LYX  13  17.672 -20.881   3.784
  268    HE1  PLM 103          H142      LYX  13  20.283 -22.227   4.475
  269    HE2  PLM 103          H141      LYX  13  18.791 -22.641   5.318
  270    HF1  PLM 103          H151      LYX  13  19.639 -19.765   5.015
  271    HF2  PLM 103          H152      LYX  13  18.549 -20.473   6.206
  272    HG1  PLM 103          H162      LYX  13  21.540 -20.465   6.135
  273    HG2  PLM 103          H163      LYX  13  20.451 -20.255   7.506
  274    HG3  PLM 103          H161      LYX  13  20.732 -21.865   6.843
  Start of MODEL    9
    1    H1   HIS   1           HT1      HIS   1  18.420 -28.671   4.883
    2    H2   HIS   1           HT2      HIS   1  19.125 -27.767   6.137
    3    H3   HIS   1           HT3      HIS   1  19.816 -29.243   5.659
    4    HA   HIS   1           HA       HIS   1  20.690 -28.376   3.718
    5    HB2  HIS   1           HB2      HIS   1  19.891 -26.438   2.605
    6    HB3  HIS   1           HB1      HIS   1  18.442 -27.328   3.098
    7    HD2  HIS   1           HD2      HIS   1  19.614 -23.802   3.237
    8    HE1  HIS   1           HE1      HIS   1  17.291 -24.219   6.736
    9    HE2  HIS   1           HE2      HIS   1  18.421 -22.547   5.189
   10    H    AIB   2           HN       AIB   2  22.082 -26.561   3.292
   11   HB11  AIB   2          HB11      AIB   2  24.624 -26.957   4.513
   12   HB12  AIB   2          HB12      AIB   2  24.186 -26.569   6.179
   13   HB13  AIB   2          HB13      AIB   2  25.193 -25.452   5.245
   14   HB21  AIB   2          HB21      AIB   2  21.571 -24.334   5.650
   15   HB22  AIB   2          HB22      AIB   2  23.168 -23.604   5.815
   16   HB23  AIB   2          HB23      AIB   2  22.747 -25.025   6.771
   17    H    GLN   3           HN       GLN   3  21.647 -24.039   3.418
   18    HA   GLN   3           HA       GLN   3  22.313 -23.390   1.053
   19    HB2  GLN   3           HB2      GLN   3  22.343 -20.842   1.856
   20    HB3  GLN   3           HB1      GLN   3  20.875 -21.812   1.836
   21    HG2  GLN   3           HG2      GLN   3  21.243 -22.421   4.177
   22    HG3  GLN   3           HG1      GLN   3  22.725 -21.490   4.196
   23   HE21  GLN   3          HE21      GLN   3  20.129 -20.152   2.317
   24   HE22  GLN   3          HE22      GLN   3  19.647 -18.971   3.436
   25    H    GLY   4           HN       GLY   4  24.165 -22.442   3.685
   26    HA2  GLY   4           HA2      GLY   4  26.402 -21.934   3.977
   27    HA3  GLY   4           HA1      GLY   4  26.688 -22.503   2.337
   28    H    THR   5           HN       THR   5  24.242 -20.314   2.321
   29    HA   THR   5           HA       THR   5  25.364 -18.369   0.783
   30    HB   THR   5           HB       THR   5  23.032 -18.421   1.125
   31    HG1  THR   5           HG1      THR   5  24.275 -16.296   1.103
   32   HG21  THR   5          HG21      THR   5  23.195 -19.370   3.444
   33   HG22  THR   5          HG22      THR   5  21.957 -18.129   3.233
   34   HG23  THR   5          HG23      THR   5  23.483 -17.712   3.999
   35    H    PHE   6           HN       PHE   6  25.894 -19.071   3.948
   36    HA   PHE   6           HA       PHE   6  27.328 -16.558   4.380
   37    HB2  PHE   6           HB2      PHE   6  26.795 -16.721   6.712
   38    HB3  PHE   6           HB1      PHE   6  25.323 -16.850   5.740
   39    HD1  PHE   6           HD2      PHE   6  24.579 -19.225   5.145
   40    HD2  PHE   6           HD1      PHE   6  27.224 -18.369   8.377
   41    HE1  PHE   6           HE2      PHE   6  23.938 -21.344   6.152
   42    HE2  PHE   6           HE1      PHE   6  26.591 -20.519   9.440
   43    HZ   PHE   6           HZ       PHE   6  24.947 -22.021   8.335
   44    H    THR   7           HN       THR   7  27.353 -19.679   5.931
   45    HA   THR   7           HA       THR   7  30.063 -19.611   6.615
   46    HB   THR   7           HB       THR   7  28.594 -21.010   7.833
   47    HG1  THR   7           HG1      THR   7  30.472 -22.451   6.283
   48   HG21  THR   7          HG21      THR   7  27.052 -21.441   6.062
   49   HG22  THR   7          HG22      THR   7  27.576 -22.970   6.764
   50   HG23  THR   7          HG23      THR   7  28.242 -22.426   5.222
   51    H    SER   8           HN       SER   8  29.059 -19.615   3.612
   52    HA   SER   8           HA       SER   8  30.598 -21.722   2.447
   53    HB2  SER   8           HB2      SER   8  29.253 -19.289   1.355
   54    HB3  SER   8           HB1      SER   8  30.320 -20.258   0.350
   55    HG   SER   8           HG       SER   8  28.796 -21.972   1.569
   56    H    ASP   9           HN       ASP   9  31.022 -18.561   1.388
   57    HA   ASP   9           HA       ASP   9  33.420 -18.238   0.533
   58    HB2  ASP   9           HB2      ASP   9  31.984 -16.377   0.956
   59    HB3  ASP   9           HB1      ASP   9  32.222 -16.535   2.696
   60    H    TYR  10           HN       TYR  10  32.948 -18.531   4.077
   61    HA   TYR  10           HA       TYR  10  35.796 -18.357   4.560
   62    HB2  TYR  10           HB2      TYR  10  34.178 -19.453   6.740
   63    HB3  TYR  10           HB1      TYR  10  35.210 -18.026   6.714
   64    HD1  TYR  10           HD1      TYR  10  34.106 -16.291   4.710
   65    HD2  TYR  10           HD2      TYR  10  32.037 -18.853   7.471
   66    HE1  TYR  10           HE1      TYR  10  32.094 -14.851   4.535
   67    HE2  TYR  10           HE2      TYR  10  30.013 -17.431   7.287
   68    HH   TYR  10           HH       TYR  10  29.941 -14.474   6.366
   69    H    SER  11           HN       SER  11  33.320 -20.869   4.652
   70    HA   SER  11           HA       SER  11  35.250 -22.964   5.204
   71    HB2  SER  11           HB2      SER  11  32.774 -22.835   5.955
   72    HB3  SER  11           HB1      SER  11  32.402 -23.364   4.318
   73    HG   SER  11           HG       SER  11  34.308 -24.932   5.077
   74    H    LYS  12           HN       LYS  12  34.451 -21.191   2.553
   75    HA   LYS  12           HA       LYS  12  35.209 -23.360   0.692
   76    HB2  LYS  12           HB2      LYS  12  33.199 -21.141   0.231
   77    HB3  LYS  12           HB1      LYS  12  33.755 -22.265  -0.997
   78    HG2  LYS  12           HG2      LYS  12  32.446 -23.151   1.578
   79    HG3  LYS  12           HG1      LYS  12  31.550 -22.864   0.094
   80    HD2  LYS  12           HD2      LYS  12  33.273 -24.504  -0.990
   81    HD3  LYS  12           HD1      LYS  12  33.581 -25.007   0.675
   82    HE2  LYS  12           HE2      LYS  12  31.861 -26.451   0.110
   83    HE3  LYS  12           HE1      LYS  12  30.946 -25.105   0.791
   84    HZ1  LYS  12           HZ1      LYS  12  30.577 -26.147  -1.672
   85    HZ2  LYS  12           HZ2      LYS  12  31.557 -24.798  -2.001
   86    HZ3  LYS  12           HZ3      LYS  12  30.080 -24.600  -1.182
   87    H    LYS  13           HN       LYX  13  34.551 -19.945   0.114
   88    HA   LYS  13           HA       LYX  13  37.229 -19.034   0.147
   89    HB2  LYS  13           HB2      LYX  13  37.271 -18.631  -2.420
   90    HB3  LYS  13           HB1      LYX  13  37.790 -20.196  -1.792
   91    HG2  LYS  13           HG2      LYX  13  36.131 -21.271  -2.865
   92    HG3  LYS  13           HG1      LYX  13  34.911 -20.119  -2.315
   93    HD2  LYS  13           HD2      LYX  13  35.613 -18.535  -4.076
   94    HD3  LYS  13           HD1      LYX  13  36.841 -19.674  -4.615
   95    HE2  LYS  13           HE2      LYX  13  34.857 -19.814  -6.039
   96    HE3  LYS  13           HE1      LYX  13  35.077 -21.311  -5.146
   97    HZ1  LYS  13           HZ1      LYX  13  33.227 -19.248  -4.125
   98    H    LEU  14           HN       LEU  14  34.983 -18.366  -2.444
   99    HA   LEU  14           HA       LEU  14  34.713 -15.627  -1.493
  100    HB2  LEU  14           HB2      LEU  14  35.408 -16.025  -3.833
  101    HB3  LEU  14           HB1      LEU  14  33.921 -16.922  -4.118
  102    HG   LEU  14           HG       LEU  14  32.585 -14.911  -3.711
  103   HD11  LEU  14          HD11      LEU  14  33.738 -13.593  -2.128
  104   HD12  LEU  14          HD12      LEU  14  34.075 -12.719  -3.620
  105   HD13  LEU  14          HD13      LEU  14  35.285 -13.807  -2.942
  106   HD21  LEU  14          HD21      LEU  14  33.807 -15.433  -5.956
  107   HD22  LEU  14          HD22      LEU  14  34.813 -14.044  -5.541
  108   HD23  LEU  14          HD23      LEU  14  33.072 -13.845  -5.741
  109    H    ASP  15           HN       ASP  15  32.505 -14.621  -1.648
  110    HA   ASP  15           HA       ASP  15  30.427 -16.542  -0.820
  111    HB2  ASP  15           HB2      ASP  15  29.826 -15.081   0.773
  112    HB3  ASP  15           HB1      ASP  15  31.311 -14.204   0.413
  113    H    AIB  16           HN       AIB  16  31.183 -13.800  -2.888
  114   HB11  AIB  16          HB11      AIB  16  27.855 -13.646  -3.136
  115   HB12  AIB  16          HB12      AIB  16  27.773 -14.798  -4.470
  116   HB13  AIB  16          HB13      AIB  16  27.646 -13.069  -4.790
  117   HB21  AIB  16          HB21      AIB  16  29.385 -11.880  -5.385
  118   HB22  AIB  16          HB22      AIB  16  31.043 -12.206  -4.875
  119   HB23  AIB  16          HB23      AIB  16  29.840 -11.699  -3.690
  120    H    ARG  17           HN       ARG  17  30.374 -16.206  -4.430
  121    HA   ARG  17           HA       ARG  17  31.760 -16.374  -6.816
  122    HB2  ARG  17           HB2      ARG  17  30.484 -18.766  -6.831
  123    HB3  ARG  17           HB1      ARG  17  31.866 -18.422  -5.801
  124    HG2  ARG  17           HG2      ARG  17  29.117 -17.708  -4.826
  125    HG3  ARG  17           HG1      ARG  17  29.629 -19.382  -4.777
  126    HD2  ARG  17           HD2      ARG  17  31.560 -17.392  -3.765
  127    HD3  ARG  17           HD1      ARG  17  30.112 -17.663  -2.812
  128    HE   ARG  17           HE       ARG  17  32.282 -19.531  -3.195
  129   HH11  ARG  17          HH21      ARG  17  28.946 -19.055  -2.416
  130   HH12  ARG  17          HH22      ARG  17  28.835 -20.464  -1.414
  131   HH21  ARG  17          HH11      ARG  17  32.153 -21.359  -1.855
  132   HH22  ARG  17          HH12      ARG  17  30.650 -21.771  -1.101
  133    H    ARG  18           HN       ARG  18  28.299 -16.780  -6.236
  134    HA   ARG  18           HA       ARG  18  27.802 -16.173  -9.083
  135    HB2  ARG  18           HB2      ARG  18  26.082 -18.002  -7.412
  136    HB3  ARG  18           HB1      ARG  18  26.034 -17.751  -9.159
  137    HG2  ARG  18           HG2      ARG  18  27.338 -19.621  -9.236
  138    HG3  ARG  18           HG1      ARG  18  28.644 -18.528  -8.774
  139    HD2  ARG  18           HD2      ARG  18  28.739 -20.296  -7.179
  140    HD3  ARG  18           HD1      ARG  18  27.941 -18.962  -6.353
  141    HE   ARG  18           HE       ARG  18  26.275 -20.990  -7.687
  142   HH11  ARG  18          HH21      ARG  18  27.466 -19.517  -4.761
  143   HH12  ARG  18          HH22      ARG  18  26.233 -20.212  -3.769
  144   HH21  ARG  18          HH11      ARG  18  24.681 -21.890  -6.365
  145   HH22  ARG  18          HH12      ARG  18  24.668 -21.549  -4.667
  146    H    ALA  19           HN       ALA  19  24.895 -16.712  -7.747
  147    HA   ALA  19           HA       ALA  19  23.161 -15.276  -7.240
  148    HB1  ALA  19           HB1      ALA  19  25.119 -15.159  -5.184
  149    HB2  ALA  19           HB2      ALA  19  23.396 -14.800  -5.058
  150    HB3  ALA  19           HB3      ALA  19  24.540 -13.513  -5.441
  151    H    GLN  20           HN       GLN  20  25.442 -14.513  -9.191
  152    HA   GLN  20           HA       GLN  20  24.311 -12.043 -10.073
  153    HB2  GLN  20           HB2      GLN  20  26.391 -11.855  -8.110
  154    HB3  GLN  20           HB1      GLN  20  27.050 -11.329  -9.663
  155    HG2  GLN  20           HG2      GLN  20  25.151  -9.784  -9.956
  156    HG3  GLN  20           HG1      GLN  20  24.484 -10.308  -8.411
  157   HE21  GLN  20          HE21      GLN  20  24.914  -8.761  -6.838
  158   HE22  GLN  20          HE22      GLN  20  26.363  -7.887  -6.703
  159    H    ASP  21           HN       ASP  21  25.286 -14.836 -10.722
  160    HA   ASP  21           HA       ASP  21  26.305 -14.254 -13.357
  161    HB2  ASP  21           HB2      ASP  21  28.082 -14.947 -11.155
  162    HB3  ASP  21           HB1      ASP  21  28.205 -16.086 -12.500
  163    H    PHE  22           HN       PHE  22  26.273 -16.909 -10.968
  164    HA   PHE  22           HA       PHE  22  25.796 -19.162 -11.279
  165    HB2  PHE  22           HB2      PHE  22  23.287 -19.265 -12.203
  166    HB3  PHE  22           HB1      PHE  22  23.665 -18.746 -10.563
  167    HD1  PHE  22           HD1      PHE  22  24.177 -16.174 -10.272
  168    HD2  PHE  22           HD2      PHE  22  22.017 -17.868 -13.573
  169    HE1  PHE  22           HE1      PHE  22  23.149 -13.964 -10.738
  170    HE2  PHE  22           HE2      PHE  22  20.996 -15.667 -14.043
  171    HZ   PHE  22           HZ       PHE  22  21.559 -13.710 -12.625
  172    H    VAL  23           HN       VAL  23  23.742 -18.193 -13.951
  173    HA   VAL  23           HA       VAL  23  25.235 -20.003 -15.706
  174    HB   VAL  23           HB       VAL  23  23.288 -20.046 -17.087
  175   HG11  VAL  23          HG11      VAL  23  22.138 -21.326 -15.627
  176   HG12  VAL  23          HG12      VAL  23  21.714 -19.926 -14.643
  177   HG13  VAL  23          HG13      VAL  23  23.246 -20.757 -14.379
  178   HG21  VAL  23          HG21      VAL  23  22.761 -17.464 -15.746
  179   HG22  VAL  23          HG22      VAL  23  21.338 -18.475 -15.981
  180   HG23  VAL  23          HG23      VAL  23  22.322 -18.005 -17.365
  181    H    GLN  24           HN       GLN  24  26.597 -17.653 -15.158
  182    HA   GLN  24           HA       GLN  24  27.664 -15.896 -16.183
  183    HB2  GLN  24           HB2      GLN  24  26.628 -17.212 -18.705
  184    HB3  GLN  24           HB1      GLN  24  27.908 -15.995 -18.621
  185    HG2  GLN  24           HG2      GLN  24  29.409 -17.456 -17.582
  186    HG3  GLN  24           HG1      GLN  24  28.129 -18.515 -16.995
  187   HE21  GLN  24          HE21      GLN  24  28.703 -17.262 -20.323
  188   HE22  GLN  24          HE22      GLN  24  28.832 -18.799 -21.033
  189    H    TRP  25           HN       TRP  25  25.124 -15.387 -15.174
  190    HA   TRP  25           HA       TRP  25  23.274 -14.019 -15.392
  191    HB2  TRP  25           HB2      TRP  25  25.662 -12.585 -15.610
  192    HB3  TRP  25           HB1      TRP  25  24.658 -11.939 -16.900
  193    HD1  TRP  25           HD1      TRP  25  25.420 -10.989 -13.643
  194    HE1  TRP  25           HE1      TRP  25  23.447  -9.916 -12.375
  195    HE3  TRP  25           HE3      TRP  25  21.530 -12.535 -16.561
  196    HZ2  TRP  25           HZ2      TRP  25  20.594  -9.744 -12.577
  197    HZ3  TRP  25           HZ3      TRP  25  19.215 -11.920 -16.020
  198    HH2  TRP  25           HH2      TRP  25  18.731 -10.518 -14.024
  199    H    LEU  26           HN       LEU  26  22.623 -15.788 -16.975
  200    HA   LEU  26           HA       LEU  26  21.801 -16.460 -19.024
  201    HB2  LEU  26           HB2      LEU  26  20.638 -13.884 -18.220
  202    HB3  LEU  26           HB1      LEU  26  20.492 -14.203 -19.947
  203    HG   LEU  26           HG       LEU  26  18.569 -15.083 -18.594
  204   HD11  LEU  26          HD11      LEU  26  20.085 -16.399 -20.619
  205   HD12  LEU  26          HD12      LEU  26  18.363 -16.556 -20.278
  206   HD13  LEU  26          HD13      LEU  26  19.519 -17.632 -19.493
  207   HD21  LEU  26          HD21      LEU  26  20.085 -17.413 -17.643
  208   HD22  LEU  26          HD22      LEU  26  18.875 -16.444 -16.804
  209   HD23  LEU  26          HD23      LEU  26  20.555 -15.913 -16.845
  210    H    MET  27           HN       MET  27  24.516 -15.219 -18.992
  211    HA   MET  27           HA       MET  27  26.109 -14.982 -20.655
  212    HB2  MET  27           HB2      MET  27  24.167 -16.109 -22.094
  213    HB3  MET  27           HB1      MET  27  24.104 -14.497 -22.806
  214    HG2  MET  27           HG2      MET  27  25.699 -15.605 -24.134
  215    HG3  MET  27           HG1      MET  27  26.688 -14.711 -22.981
  216    HE1  MET  27           HE1      MET  27  28.226 -18.110 -24.043
  217    HE2  MET  27           HE2      MET  27  28.991 -16.784 -23.170
  218    HE3  MET  27           HE3      MET  27  27.890 -16.434 -24.501
  219    H    ASN  28           HN       ASN  28  26.809 -13.055 -19.802
  220    HA   ASN  28           HA       ASN  28  26.988 -10.761 -19.507
  221    HB2  ASN  28           HB2      ASN  28  26.885 -11.261 -22.469
  222    HB3  ASN  28           HB1      ASN  28  27.090  -9.626 -21.845
  223   HD21  ASN  28          HD21      ASN  28  29.036  -9.213 -20.484
  224   HD22  ASN  28          HD22      ASN  28  30.394 -10.220 -20.632
  225    H    THR  29           HN       THR  29  24.200 -11.822 -19.427
  226    HA   THR  29           HA       THR  29  22.619  -9.684 -20.626
  227    HB   THR  29           HB       THR  29  21.570 -11.808 -18.769
  228    HG1  THR  29           HG1      THR  29  21.802 -12.107 -21.562
  229   HG21  THR  29          HG21      THR  29  19.527 -11.242 -19.624
  230   HG22  THR  29          HG22      THR  29  20.174 -10.916 -21.231
  231   HG23  THR  29          HG23      THR  29  20.338  -9.713 -19.954
  232    H    GGL 101           HN2      LYX  13  31.072 -22.537  -4.295
  233    HA   GGL 101           HA2      LYX  13  32.030 -24.599  -6.059
  234    HB2  GGL 101           HI2      LYX  13  34.108 -24.183  -4.425
  235    HB3  GGL 101           HI1      LYX  13  33.689 -23.070  -5.726
  236    HG2  GGL 101           HH2      LYX  13  34.059 -22.172  -3.267
  237    HG3  GGL 101           HH1      LYX  13  32.397 -22.703  -3.050
  238    H    GGL 102           HN3      LYX  13  29.208 -25.200  -3.293
  239    HA   GGL 102           HA3      LYX  13  30.014 -22.987  -2.708
  240    HB2  GGL 102           HJ2      LYX  13  27.132 -23.099  -3.586
  241    HB3  GGL 102           HJ1      LYX  13  27.909 -21.560  -3.260
  242    HG2  GGL 102           HK2      LYX  13  27.924 -22.678  -5.699
  243    HG3  GGL 102           HK1      LYX  13  29.214 -21.648  -5.110
  244    H21  PLM 103           H22      LYX  13  26.322 -24.237  -1.408
  245    H22  PLM 103           H21      LYX  13  26.300 -25.489  -2.646
  246    H31  PLM 103           H32      LYX  13  24.998 -26.459  -0.963
  247    H32  PLM 103           H31      LYX  13  26.588 -27.139  -0.638
  248    H41  PLM 103           H41      LYX  13  26.648 -24.777   0.809
  249    H42  PLM 103           H42      LYX  13  24.969 -25.285   0.980
  250    H51  PLM 103           H51      LYX  13  25.915 -27.620   1.552
  251    H52  PLM 103           H52      LYX  13  26.074 -26.365   2.773
  252    H61  PLM 103           H62      LYX  13  28.200 -27.536   0.994
  253    H62  PLM 103           H61      LYX  13  28.410 -25.922   1.672
  254    H71  PLM 103           H72      LYX  13  29.222 -28.099   2.983
  255    H72  PLM 103           H71      LYX  13  27.541 -28.105   3.517
  256    H81  PLM 103           H82      LYX  13  29.503 -25.805   3.786
  257    H82  PLM 103           H81      LYX  13  27.799 -25.728   4.235
  258    H91  PLM 103           H91      LYX  13  29.834 -27.657   5.395
  259    H92  PLM 103           H92      LYX  13  28.134 -27.554   5.856
  260    HA1  PLM 103          H102      LYX  13  28.412 -25.415   6.833
  261    HA2  PLM 103          H101      LYX  13  29.956 -25.150   6.021
  262    HB1  PLM 103          H111      LYX  13  29.872 -27.551   7.738
  263    HB2  PLM 103          H112      LYX  13  31.122 -26.318   7.592
  264    HC1  PLM 103          H122      LYX  13  30.082 -26.271   9.835
  265    HC2  PLM 103          H121      LYX  13  28.503 -26.004   9.098
  266    HD1  PLM 103          H132      LYX  13  30.726 -24.143   8.361
  267    HD2  PLM 103          H131      LYX  13  28.998 -23.823   8.504
  268    HE1  PLM 103          H142      LYX  13  30.954 -24.245  10.783
  269    HE2  PLM 103          H141      LYX  13  29.211 -24.085  10.988
  270    HF1  PLM 103          H151      LYX  13  30.831 -21.968  11.158
  271    HF2  PLM 103          H152      LYX  13  30.622 -21.977   9.408
  272    HG1  PLM 103          H162      LYX  13  28.544 -21.626  11.556
  273    HG2  PLM 103          H163      LYX  13  28.829 -20.637  10.124
  274    HG3  PLM 103          H161      LYX  13  28.082 -22.228   9.965
  Start of MODEL   10
    1    H1   HIS   1           HT1      HIS   1  21.607 -30.311   7.449
    2    H2   HIS   1           HT2      HIS   1  20.920 -28.876   8.045
    3    H3   HIS   1           HT3      HIS   1  22.516 -29.288   8.451
    4    HA   HIS   1           HA       HIS   1  22.836 -29.246   5.860
    5    HB2  HIS   1           HB2      HIS   1  21.470 -27.648   4.759
    6    HB3  HIS   1           HB1      HIS   1  20.344 -28.724   5.601
    7    HD2  HIS   1           HD2      HIS   1  20.761 -25.057   5.189
    8    HE1  HIS   1           HE1      HIS   1  19.246 -25.444   9.108
    9    HE2  HIS   1           HE2      HIS   1  19.714 -23.803   7.224
   10    H    AIB   2           HN       AIB   2  23.743 -27.291   5.018
   11   HB11  AIB   2          HB11      AIB   2  26.253 -26.542   7.432
   12   HB12  AIB   2          HB12      AIB   2  26.836 -25.370   6.241
   13   HB13  AIB   2          HB13      AIB   2  26.483 -27.033   5.751
   14   HB21  AIB   2          HB21      AIB   2  23.187 -24.897   7.199
   15   HB22  AIB   2          HB22      AIB   2  24.608 -23.876   6.990
   16   HB23  AIB   2          HB23      AIB   2  24.647 -25.210   8.141
   17    H    GLN   3           HN       GLN   3  22.828 -24.874   4.986
   18    HA   GLN   3           HA       GLN   3  22.986 -24.450   2.471
   19    HB2  GLN   3           HB2      GLN   3  22.572 -21.869   2.989
   20    HB3  GLN   3           HB1      GLN   3  21.367 -23.104   3.334
   21    HG2  GLN   3           HG2      GLN   3  22.205 -23.292   5.623
   22    HG3  GLN   3           HG1      GLN   3  23.434 -22.098   5.280
   23   HE21  GLN   3          HE21      GLN   3  20.370 -21.552   3.753
   24   HE22  GLN   3          HE22      GLN   3  19.816 -20.348   4.816
   25    H    GLY   4           HN       GLY   4  24.954 -22.828   4.652
   26    HA2  GLY   4           HA2      GLY   4  27.053 -21.848   4.515
   27    HA3  GLY   4           HA1      GLY   4  27.214 -22.573   2.921
   28    H    THR   5           HN       THR   5  24.380 -20.930   3.055
   29    HA   THR   5           HA       THR   5  24.822 -19.035   1.159
   30    HB   THR   5           HB       THR   5  22.630 -19.483   1.888
   31    HG1  THR   5           HG1      THR   5  21.878 -17.444   2.052
   32   HG21  THR   5          HG21      THR   5  23.322 -18.319   4.559
   33   HG22  THR   5          HG22      THR   5  23.322 -20.061   4.233
   34   HG23  THR   5          HG23      THR   5  21.829 -19.129   4.104
   35    H    PHE   6           HN       PHE   6  25.927 -19.156   4.244
   36    HA   PHE   6           HA       PHE   6  26.814 -16.372   4.163
   37    HB2  PHE   6           HB2      PHE   6  26.756 -16.377   6.561
   38    HB3  PHE   6           HB1      PHE   6  25.198 -16.889   5.900
   39    HD1  PHE   6           HD2      PHE   6  24.882 -19.428   5.649
   40    HD2  PHE   6           HD1      PHE   6  27.773 -17.685   8.249
   41    HE1  PHE   6           HE2      PHE   6  24.861 -21.480   6.960
   42    HE2  PHE   6           HE1      PHE   6  27.775 -19.756   9.615
   43    HZ   PHE   6           HZ       PHE   6  26.318 -21.667   8.977
   44    H    THR   7           HN       THR   7  27.738 -19.315   5.753
   45    HA   THR   7           HA       THR   7  30.502 -18.563   5.811
   46    HB   THR   7           HB       THR   7  29.601 -19.834   7.646
   47    HG1  THR   7           HG1      THR   7  31.717 -20.598   6.164
   48   HG21  THR   7          HG21      THR   7  29.128 -21.952   5.571
   49   HG22  THR   7          HG22      THR   7  27.906 -20.986   6.385
   50   HG23  THR   7          HG23      THR   7  28.865 -22.136   7.304
   51    H    SER   8           HN       SER   8  28.836 -19.511   3.247
   52    HA   SER   8           HA       SER   8  30.330 -21.658   2.191
   53    HB2  SER   8           HB2      SER   8  28.739 -19.475   0.871
   54    HB3  SER   8           HB1      SER   8  29.624 -20.670  -0.070
   55    HG   SER   8           HG       SER   8  28.403 -22.113   1.630
   56    H    ASP   9           HN       ASP   9  31.340 -18.741   3.081
   57    HA   ASP   9           HA       ASP   9  33.328 -18.381   0.966
   58    HB2  ASP   9           HB2      ASP   9  32.384 -16.359   1.505
   59    HB3  ASP   9           HB1      ASP   9  32.180 -16.785   3.201
   60    H    TYR  10           HN       TYR  10  33.364 -18.319   4.555
   61    HA   TYR  10           HA       TYR  10  36.148 -18.832   4.758
   62    HB2  TYR  10           HB2      TYR  10  34.432 -19.796   6.967
   63    HB3  TYR  10           HB1      TYR  10  35.828 -18.724   7.017
   64    HD1  TYR  10           HD1      TYR  10  35.448 -16.341   5.905
   65    HD2  TYR  10           HD2      TYR  10  32.318 -18.907   7.338
   66    HE1  TYR  10           HE1      TYR  10  33.925 -14.390   6.082
   67    HE2  TYR  10           HE2      TYR  10  30.794 -16.970   7.511
   68    HH   TYR  10           HH       TYR  10  31.823 -13.726   6.453
   69    H    SER  11           HN       SER  11  33.301 -20.776   4.473
   70    HA   SER  11           HA       SER  11  34.491 -23.287   5.138
   71    HB2  SER  11           HB2      SER  11  32.034 -22.780   5.212
   72    HB3  SER  11           HB1      SER  11  32.040 -22.740   3.450
   73    HG   SER  11           HG       SER  11  32.497 -24.870   3.396
   74    H    LYS  12           HN       LYS  12  33.874 -21.483   2.145
   75    HA   LYS  12           HA       LYS  12  35.483 -23.494   0.689
   76    HB2  LYS  12           HB2      LYS  12  33.633 -21.537  -0.652
   77    HB3  LYS  12           HB1      LYS  12  34.307 -23.018  -1.292
   78    HG2  LYS  12           HG2      LYS  12  32.488 -23.158   1.090
   79    HG3  LYS  12           HG1      LYS  12  31.797 -22.897  -0.508
   80    HD2  LYS  12           HD2      LYS  12  33.850 -25.049  -0.236
   81    HD3  LYS  12           HD1      LYS  12  32.257 -25.358   0.448
   82    HE2  LYS  12           HE2      LYS  12  32.762 -25.966  -2.068
   83    HE3  LYS  12           HE1      LYS  12  31.205 -25.282  -1.616
   84    HZ1  LYS  12           HZ1      LYS  12  33.339 -24.134  -3.185
   85    HZ2  LYS  12           HZ2      LYS  12  32.678 -23.078  -2.032
   86    HZ3  LYS  12           HZ3      LYS  12  31.678 -23.795  -3.200
   87    H    LYS  13           HN       LYX  13  34.581 -20.197  -0.203
   88    HA   LYS  13           HA       LYX  13  37.355 -19.244  -0.023
   89    HB2  LYS  13           HB2      LYX  13  35.675 -19.378  -2.528
   90    HB3  LYS  13           HB1      LYX  13  37.066 -18.311  -2.371
   91    HG2  LYS  13           HG2      LYX  13  38.578 -20.055  -2.462
   92    HG3  LYS  13           HG1      LYX  13  37.456 -21.221  -1.783
   93    HD2  LYS  13           HD2      LYX  13  36.751 -20.016  -4.419
   94    HD3  LYS  13           HD1      LYX  13  38.047 -21.208  -4.390
   95    HE2  LYS  13           HE2      LYX  13  36.622 -22.928  -3.906
   96    HE3  LYS  13           HE1      LYX  13  35.584 -21.929  -2.896
   97    HZ1  LYS  13           HZ1      LYX  13  35.473 -21.312  -5.727
   98    H    LEU  14           HN       LEU  14  35.267 -17.718  -2.196
   99    HA   LEU  14           HA       LEU  14  34.481 -15.683  -0.236
  100    HB2  LEU  14           HB2      LEU  14  35.921 -14.459  -1.549
  101    HB3  LEU  14           HB1      LEU  14  35.696 -15.501  -2.944
  102    HG   LEU  14           HG       LEU  14  33.469 -14.445  -3.355
  103   HD11  LEU  14          HD11      LEU  14  32.475 -13.129  -1.803
  104   HD12  LEU  14          HD12      LEU  14  33.907 -12.112  -1.686
  105   HD13  LEU  14          HD13      LEU  14  33.770 -13.554  -0.687
  106   HD21  LEU  14          HD21      LEU  14  35.670 -13.569  -4.292
  107   HD22  LEU  14          HD22      LEU  14  35.610 -12.337  -3.033
  108   HD23  LEU  14          HD23      LEU  14  34.338 -12.415  -4.252
  109    H    ASP  15           HN       ASP  15  32.385 -14.718  -0.570
  110    HA   ASP  15           HA       ASP  15  30.560 -16.438  -2.137
  111    HB2  ASP  15           HB2      ASP  15  28.822 -15.834  -0.550
  112    HB3  ASP  15           HB1      ASP  15  30.207 -16.506   0.308
  113    H    AIB  16           HN       AIB  16  31.736 -14.610  -3.637
  114   HB11  AIB  16          HB11      AIB  16  28.917 -12.497  -5.515
  115   HB12  AIB  16          HB12      AIB  16  28.637 -12.272  -3.789
  116   HB13  AIB  16          HB13      AIB  16  28.718 -13.899  -4.463
  117   HB21  AIB  16          HB21      AIB  16  30.490 -10.796  -4.037
  118   HB22  AIB  16          HB22      AIB  16  32.091 -11.464  -3.712
  119   HB23  AIB  16          HB23      AIB  16  30.790 -11.680  -2.540
  120    H    ARG  17           HN       ARG  17  32.552 -14.487  -4.925
  121    HA   ARG  17           HA       ARG  17  33.498 -13.137  -7.216
  122    HB2  ARG  17           HB2      ARG  17  34.522 -15.451  -7.758
  123    HB3  ARG  17           HB1      ARG  17  35.059 -14.616  -6.302
  124    HG2  ARG  17           HG2      ARG  17  34.010 -16.103  -4.894
  125    HG3  ARG  17           HG1      ARG  17  32.704 -16.422  -6.031
  126    HD2  ARG  17           HD2      ARG  17  35.456 -17.304  -6.799
  127    HD3  ARG  17           HD1      ARG  17  34.622 -18.220  -5.556
  128    HE   ARG  17           HE       ARG  17  32.764 -18.008  -7.545
  129   HH11  ARG  17          HH21      ARG  17  36.059 -19.042  -7.344
  130   HH12  ARG  17          HH22      ARG  17  35.917 -20.200  -8.623
  131   HH21  ARG  17          HH11      ARG  17  32.570 -19.526  -9.222
  132   HH22  ARG  17          HH12      ARG  17  33.942 -20.475  -9.687
  133    H    ARG  18           HN       ARG  18  30.946 -15.486  -6.765
  134    HA   ARG  18           HA       ARG  18  30.677 -16.068  -9.584
  135    HB2  ARG  18           HB2      ARG  18  28.328 -16.556  -7.855
  136    HB3  ARG  18           HB1      ARG  18  29.177 -17.644  -8.949
  137    HG2  ARG  18           HG2      ARG  18  31.065 -17.596  -7.170
  138    HG3  ARG  18           HG1      ARG  18  29.818 -16.970  -6.090
  139    HD2  ARG  18           HD2      ARG  18  30.134 -19.663  -7.257
  140    HD3  ARG  18           HD1      ARG  18  29.432 -19.185  -5.721
  141    HE   ARG  18           HE       ARG  18  27.541 -18.307  -7.344
  142   HH11  ARG  18          HH21      ARG  18  29.378 -21.252  -7.487
  143   HH12  ARG  18          HH22      ARG  18  28.144 -22.132  -8.320
  144   HH21  ARG  18          HH11      ARG  18  25.930 -19.469  -8.427
  145   HH22  ARG  18          HH12      ARG  18  26.195 -21.127  -8.850
  146    H    ALA  19           HN       ALA  19  30.677 -13.268  -8.742
  147    HA   ALA  19           HA       ALA  19  29.649 -11.341  -9.478
  148    HB1  ALA  19           HB1      ALA  19  28.829 -13.059 -11.335
  149    HB2  ALA  19           HB2      ALA  19  28.128 -11.445 -11.209
  150    HB3  ALA  19           HB3      ALA  19  27.280 -12.832 -10.522
  151    H    GLN  20           HN       GLN  20  27.232 -13.736  -8.464
  152    HA   GLN  20           HA       GLN  20  26.569 -12.902  -5.976
  153    HB2  GLN  20           HB2      GLN  20  26.028 -10.685  -6.428
  154    HB3  GLN  20           HB1      GLN  20  25.408 -11.054  -8.040
  155    HG2  GLN  20           HG2      GLN  20  23.999 -12.129  -5.606
  156    HG3  GLN  20           HG1      GLN  20  23.734 -10.464  -6.109
  157   HE21  GLN  20          HE21      GLN  20  23.487 -10.448  -8.774
  158   HE22  GLN  20          HE22      GLN  20  22.314 -11.545  -9.323
  159    H    ASP  21           HN       ASP  21  25.598 -13.911  -9.111
  160    HA   ASP  21           HA       ASP  21  23.097 -15.021  -8.765
  161    HB2  ASP  21           HB2      ASP  21  25.417 -15.467 -10.497
  162    HB3  ASP  21           HB1      ASP  21  24.433 -16.916 -10.263
  163    H    PHE  22           HN       PHE  22  26.009 -15.788  -7.182
  164    HA   PHE  22           HA       PHE  22  25.875 -18.489  -6.668
  165    HB2  PHE  22           HB2      PHE  22  27.480 -18.070  -5.145
  166    HB3  PHE  22           HB1      PHE  22  27.387 -16.406  -5.715
  167    HD1  PHE  22           HD1      PHE  22  26.119 -18.783  -3.153
  168    HD2  PHE  22           HD2      PHE  22  26.508 -14.676  -4.341
  169    HE1  PHE  22           HE1      PHE  22  25.337 -18.068  -0.918
  170    HE2  PHE  22           HE2      PHE  22  25.725 -13.954  -2.105
  171    HZ   PHE  22           HZ       PHE  22  25.140 -15.649  -0.388
  172    H    VAL  23           HN       VAL  23  24.029 -15.847  -5.222
  173    HA   VAL  23           HA       VAL  23  22.805 -17.195  -3.105
  174    HB   VAL  23           HB       VAL  23  21.540 -15.063  -4.841
  175   HG11  VAL  23          HG11      VAL  23  19.933 -16.044  -3.339
  176   HG12  VAL  23          HG12      VAL  23  20.433 -14.507  -2.631
  177   HG13  VAL  23          HG13      VAL  23  21.087 -16.021  -2.004
  178   HG21  VAL  23          HG21      VAL  23  23.223 -14.722  -2.345
  179   HG22  VAL  23          HG22      VAL  23  22.573 -13.445  -3.372
  180   HG23  VAL  23          HG23      VAL  23  23.847 -14.501  -3.978
  181    H    GLN  24           HN       GLN  24  22.382 -17.582  -6.484
  182    HA   GLN  24           HA       GLN  24  19.776 -18.892  -6.149
  183    HB2  GLN  24           HB2      GLN  24  21.374 -18.198  -8.628
  184    HB3  GLN  24           HB1      GLN  24  19.803 -19.014  -8.640
  185    HG2  GLN  24           HG2      GLN  24  18.760 -17.031  -8.473
  186    HG3  GLN  24           HG1      GLN  24  19.601 -16.705  -6.959
  187   HE21  GLN  24          HE21      GLN  24  20.735 -16.907 -10.386
  188   HE22  GLN  24          HE22      GLN  24  21.496 -15.390 -10.368
  189    H    TRP  25           HN       TRP  25  23.113 -19.603  -6.381
  190    HA   TRP  25           HA       TRP  25  23.362 -21.981  -7.675
  191    HB2  TRP  25           HB2      TRP  25  25.196 -20.887  -6.406
  192    HB3  TRP  25           HB1      TRP  25  24.463 -21.449  -4.901
  193    HD1  TRP  25           HD1      TRP  25  26.467 -22.626  -7.887
  194    HE1  TRP  25           HE1      TRP  25  27.190 -25.074  -7.527
  195    HE3  TRP  25           HE3      TRP  25  23.746 -23.753  -3.718
  196    HZ2  TRP  25           HZ2      TRP  25  26.678 -27.225  -5.712
  197    HZ3  TRP  25           HZ3      TRP  25  23.875 -25.995  -2.694
  198    HH2  TRP  25           HH2      TRP  25  25.338 -27.739  -3.685
  199    H    LEU  26           HN       LEU  26  22.249 -21.656  -4.299
  200    HA   LEU  26           HA       LEU  26  21.539 -24.437  -4.129
  201    HB2  LEU  26           HB2      LEU  26  20.208 -23.048  -2.077
  202    HB3  LEU  26           HB1      LEU  26  21.722 -23.940  -1.956
  203    HG   LEU  26           HG       LEU  26  22.951 -21.874  -2.641
  204   HD11  LEU  26          HD11      LEU  26  21.861 -20.097  -3.480
  205   HD12  LEU  26          HD12      LEU  26  20.841 -19.999  -2.045
  206   HD13  LEU  26          HD13      LEU  26  20.364 -21.025  -3.397
  207   HD21  LEU  26          HD21      LEU  26  21.105 -21.482  -0.270
  208   HD22  LEU  26          HD22      LEU  26  22.675 -20.714  -0.511
  209   HD23  LEU  26          HD23      LEU  26  22.576 -22.456  -0.251
  210    H    MET  27           HN       MET  27  20.066 -21.740  -5.510
  211    HA   MET  27           HA       MET  27  17.337 -22.701  -5.072
  212    HB2  MET  27           HB2      MET  27  18.124 -20.209  -5.133
  213    HB3  MET  27           HB1      MET  27  18.051 -20.418  -6.884
  214    HG2  MET  27           HG2      MET  27  15.682 -21.512  -6.240
  215    HG3  MET  27           HG1      MET  27  15.844 -20.399  -4.881
  216    HE1  MET  27           HE1      MET  27  13.480 -19.903  -6.276
  217    HE2  MET  27           HE2      MET  27  13.492 -18.242  -6.862
  218    HE3  MET  27           HE3      MET  27  14.114 -18.605  -5.255
  219    H    ASN  28           HN       ASN  28  19.777 -23.633  -6.980
  220    HA   ASN  28           HA       ASN  28  19.785 -25.049  -8.808
  221    HB2  ASN  28           HB2      ASN  28  17.261 -25.368  -7.989
  222    HB3  ASN  28           HB1      ASN  28  16.940 -24.505  -9.492
  223   HD21  ASN  28          HD21      ASN  28  16.901 -25.777 -11.354
  224   HD22  ASN  28          HD22      ASN  28  17.568 -27.333 -11.477
  225    H    THR  29           HN       THR  29  18.592 -21.840  -8.806
  226    HA   THR  29           HA       THR  29  18.657 -20.137 -10.349
  227    HB   THR  29           HB       THR  29  20.922 -21.914 -11.224
  228    HG1  THR  29           HG1      THR  29  21.568 -20.756  -9.565
  229   HG21  THR  29          HG21      THR  29  20.408 -20.985 -13.303
  230   HG22  THR  29          HG22      THR  29  21.519 -19.788 -12.636
  231   HG23  THR  29          HG23      THR  29  19.780 -19.497 -12.595
  232    H    GGL 101           HN2      LYX  13  31.318 -21.780  -2.896
  233    HA   GGL 101           HA2      LYX  13  31.949 -19.282  -1.958
  234    HB2  GGL 101           HI2      LYX  13  33.704 -19.290  -3.755
  235    HB3  GGL 101           HI1      LYX  13  33.653 -20.739  -2.773
  236    HG2  GGL 101           HH2      LYX  13  33.047 -20.395  -5.638
  237    HG3  GGL 101           HH1      LYX  13  31.923 -21.421  -4.756
  238    H    GGL 102           HN3      LYX  13  29.619 -25.376  -2.826
  239    HA   GGL 102           HA3      LYX  13  30.166 -23.119  -2.293
  240    HB2  GGL 102           HJ2      LYX  13  29.110 -23.495  -4.539
  241    HB3  GGL 102           HJ1      LYX  13  27.560 -23.052  -3.841
  242    HG2  GGL 102           HK2      LYX  13  29.612 -21.363  -4.888
  243    HG3  GGL 102           HK1      LYX  13  28.027 -20.905  -4.286
  244    H21  PLM 103           H22      LYX  13  28.374 -27.122  -0.731
  245    H22  PLM 103           H21      LYX  13  28.684 -25.607   0.109
  246    H31  PLM 103           H32      LYX  13  25.922 -25.582  -0.356
  247    H32  PLM 103           H31      LYX  13  26.271 -27.251   0.086
  248    H41  PLM 103           H41      LYX  13  27.170 -24.832   1.689
  249    H42  PLM 103           H42      LYX  13  25.740 -25.794   2.057
  250    H51  PLM 103           H51      LYX  13  28.104 -27.469   1.682
  251    H52  PLM 103           H52      LYX  13  26.972 -27.415   3.033
  252    H61  PLM 103           H62      LYX  13  29.371 -25.625   2.567
  253    H62  PLM 103           H61      LYX  13  28.139 -25.288   3.783
  254    H71  PLM 103           H72      LYX  13  29.853 -27.787   3.618
  255    H72  PLM 103           H71      LYX  13  28.574 -27.517   4.801
  256    H81  PLM 103           H82      LYX  13  31.310 -26.588   4.847
  257    H82  PLM 103           H81      LYX  13  30.207 -25.212   4.880
  258    H91  PLM 103           H91      LYX  13  30.138 -27.605   6.745
  259    H92  PLM 103           H92      LYX  13  28.969 -26.285   6.756
  260    HA1  PLM 103          H102      LYX  13  31.508 -25.052   6.817
  261    HA2  PLM 103          H101      LYX  13  31.608 -26.396   7.952
  262    HB1  PLM 103          H111      LYX  13  29.388 -24.328   7.936
  263    HB2  PLM 103          H112      LYX  13  29.617 -25.610   9.123
  264    HC1  PLM 103          H122      LYX  13  31.232 -23.112   8.696
  265    HC2  PLM 103          H121      LYX  13  31.993 -24.529   9.420
  266    HD1  PLM 103          H132      LYX  13  29.334 -23.701  10.497
  267    HD2  PLM 103          H131      LYX  13  30.716 -24.406  11.337
  268    HE1  PLM 103          H142      LYX  13  31.868 -22.106  10.714
  269    HE2  PLM 103          H141      LYX  13  30.807 -22.217  12.118
  270    HF1  PLM 103          H151      LYX  13  29.556 -21.593   9.477
  271    HF2  PLM 103          H152      LYX  13  29.097 -21.050  11.091
  272    HG1  PLM 103          H162      LYX  13  31.479 -20.093   9.474
  273    HG2  PLM 103          H163      LYX  13  30.028 -19.165   9.852
  274    HG3  PLM 103          H161      LYX  13  31.147 -19.616  11.139