*HEADER    PROTEIN BINDING                         25-APR-19   6OQ9              
*TITLE     SOLUTION STRUCTURE OF VEK50 IN THE BOUND FORM WITH PLASMINOGEN KRINGLE
*TITLE    2 2                                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLASMINOGEN-BINDING GROUP A STREPTOCOCCAL M-LIKE PROTEIN   
*COMPND   3 PAM;                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: RESIDUES 85-133;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES;                         
*SOURCE   3 ORGANISM_TAXID: 1314;                                                
*SOURCE   4 GENE: PAM, EMM;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    PLASMINOGEN BINDING PEPTIDE, BLOOD CLOTTING, PROTEIN BINDING          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    Y.YUAN,F.J.CASTELLINO                                                 
*REVDAT   1   24-JUL-19 6OQ9    0                                                
# Restraints file 1: vek50k2_noe.tbl
assign (residue 28 and name HA) (residue 31 and name HB1) 3.5 1.0 1.5
assign (residue 28 and name HA) (residue 31 and name HB2) 3.5 1.0 1.5

!HN (i) -HN (i+1) from vek50_noe_2D
assign (residue 5 and name HN) (residue 4 and name HN) 2.5 0.5 0.5
assign (residue 6 and name HN) (residue 5 and name HN) 2.5 0.5 0.5
assign (residue 8 and name HN) (residue 7 and name HN) 2.5 0.5 0.5
assign (residue 10 and name HN) (residue 9 and name HN) 2.5 0.5 0.5
assign (residue 11 and name HN) (residue 10 and name HN) 2.5 0.5 0.5
assign (residue 12 and name HN) (residue 11 and name HN) 2.5 0.5 0.5
assign (residue 17 and name HN) (residue 16 and name HN) 2.5 0.5 0.5
assign (residue 20 and name HN) (residue 19 and name HN) 2.5 0.5 0.5
assign (residue 21 and name HN) (residue 20 and name HN) 2.5 0.5 0.5
assign (residue 22 and name HN) (residue 21 and name HN) 2.5 0.5 0.5
assign (residue 23 and name HN) (residue 22 and name HN) 2.5 0.5 0.5
assign (residue 24 and name HN) (residue 23 and name HN) 2.5 0.5 0.5
assign (residue 25 and name HN) (residue 24 and name HN) 2.5 0.5 0.5
assign (residue 38 and name HN) (residue 37 and name HN) 2.5 0.5 0.5
assign (residue 42 and name HN) (residue 41 and name HN) 2.5 0.5 0.5
assign (residue 43 and name HN) (residue 42 and name HN) 2.5 0.5 0.5
assign (residue 44 and name HN) (residue 43 and name HN) 2.5 0.5 0.5
assign (residue 46 and name HN) (residue 45 and name HN) 2.5 0.5 0.5
assign (residue 50 and name HN) (residue 49 and name HN) 2.5 0.5 0.5
!HN (i) -HN (i+1) added from vek50_noe_expt!19
assign (residue 9 and name HN) (residue 8 and name HN) 2.5 0.5 0.5
assign (residue 13 and name HN) (residue 12 and name HN) 2.5 0.5 0.5
assign (residue 14 and name HN) (residue 13 and name HN) 2.5 0.5 0.5
assign (residue 26 and name HN) (residue 25 and name HN) 2.5 0.5 0.5
assign (residue 27 and name HN) (residue 26 and name HN) 2.5 0.5 0.5
assign (residue 37 and name HN) (residue 36 and name HN) 2.5 0.5 0.5
assign (residue 45 and name HN) (residue 44 and name HN) 2.5 0.5 0.5
assign (residue 47 and name HN) (residue 46 and name HN) 2.5 0.5 0.5
assign (residue 48 and name HN) (residue 47 and name HN) 2.5 0.5 0.5

!HN (i)-HN (i+2) from vek50_noe_2D
assign (residue 9 and name HN) (residue 7 and name HN) 4.0 0.5 1.0
assign (residue 22 and name HN) (residue 20 and name HN) 4.0 0.5 1.0
assign (residue 36 and name HN) (residue 34 and name HN) 4.0 0.5 1.0
!HN (i)-HN (i+2) added from vek50_noe_expt!19
assign (residue 39 and name HN) (residue 37 and name HN) 4.0 0.5 1.0
assign (residue 47 and name HN) (residue 45 and name HN) 4.0 0.5 1.0

!HN (i)-HA (i) from vek50_noe_2D
assign (residue 2 and name HA) (residue 2 and name HN) 2.5 0.5 0.5
assign (residue 4 and name HA) (residue 4 and name HN) 2.5 0.5 0.5
assign (residue 7 and name HA) (residue 7 and name HN) 2.5 0.5 0.5
assign (residue 12 and name HA) (residue 12 and name HN) 2.5 0.5 0.5
assign (residue 13 and name HA) (residue 13 and name HN) 2.5 0.5 0.5
assign (residue 15 and name HA) (residue 15 and name HN) 2.5 0.5 0.5
assign (residue 16 and name HA) (residue 16 and name HN) 2.5 0.5 0.5
assign (residue 18 and name HA) (residue 18 and name HN) 2.5 0.5 0.5
assign (residue 19 and name HA) (residue 19 and name HN) 2.5 0.5 0.5
assign (residue 24 and name HA) (residue 24 and name HN) 2.5 0.5 0.5
assign (residue 34 and name HA) (residue 34 and name HN) 2.5 0.5 0.5
assign (residue 43 and name HA) (residue 43 and name HN) 2.5 0.5 0.5
assign (residue 45 and name HA) (residue 45 and name HN) 2.5 0.5 0.5
assign (residue 46 and name HA) (residue 46 and name HN) 2.5 0.5 0.5
assign (residue 49 and name HA) (residue 49 and name HN) 2.5 0.5 0.5
assign (residue 50 and name HA) (residue 50 and name HN) 2.5 0.5 0.5
!HN (i)-HA (i) added from vek50_noe_16.tbl
assign (residue 3 and name HN) (residue 3 and name HA) 2.5 0.5 0.5
assign (residue 8 and name HN) (residue 8 and name HA) 2.5 0.5 0.5
assign (residue 9 and name HN) (residue 9 and name HA) 2.5 0.5 0.5
assign (residue 10 and name HN) (residue 10 and name HA) 2.5 0.5 0.5
assign (residue 14 and name HN) (residue 14 and name HA) 2.5 0.5 0.5
assign (residue 17 and name HN) (residue 17 and name HA) 2.5 0.5 0.5
assign (residue 20 and name HN) (residue 20 and name HA) 2.5 0.5 0.5
assign (residue 21 and name HN) (residue 21 and name HA) 2.5 0.5 0.5
assign (residue 22 and name HN) (residue 22 and name HA) 2.5 0.5 0.5
assign (residue 23 and name HN) (residue 23 and name HA) 2.5 0.5 0.5
assign (residue 25 and name HN) (residue 25 and name HA) 2.5 0.5 0.5
assign (residue 26 and name HN) (residue 26 and name HA) 2.5 0.5 0.5
assign (residue 27 and name HN) (residue 27 and name HA) 2.5 0.5 0.5
assign (residue 28 and name HN) (residue 28 and name HA) 2.5 0.5 0.5
assign (residue 30 and name HN) (residue 30 and name HA) 2.5 0.5 0.5
assign (residue 35 and name HN) (residue 35 and name HA) 2.5 0.5 0.5
assign (residue 36 and name HN) (residue 36 and name HA) 2.5 0.5 0.5
assign (residue 37 and name HN) (residue 37 and name HA) 2.5 0.5 0.5
assign (residue 38 and name HN) (residue 38 and name HA) 2.5 0.5 0.5
assign (residue 39 and name HN) (residue 39 and name HA) 2.5 0.5 0.5
assign (residue 40 and name HN) (residue 40 and name HA) 2.5 0.5 0.5
assign (residue 41 and name HN) (residue 41 and name HA) 2.5 0.5 0.5
assign (residue 42 and name HN) (residue 42 and name HA) 2.5 0.5 0.5
assign (residue 44 and name HN) (residue 44 and name HA) 2.5 0.5 0.5
assign (residue 47 and name HN) (residue 47 and name HA) 2.5 0.5 0.5
assign (residue 51 and name HN) (residue 51 and name HA) 2.5 0.5 0.5
assign (residue 52 and name HN) (residue 52 and name HA) 2.5 0.5 0.5

!HA (i)-HN (i+1) added from vek50_noe_16.tbl
assign (residue 4 and name HN) (residue 3 and name HA) 3.5 0.5 0.5
assign (residue 5 and name HN) (residue 4 and name HA) 3.5 0.5 0.5
assign (residue 7 and name HN) (residue 6 and name HA) 3.5 0.5 0.5
assign (residue 8 and name HN) (residue 7 and name HA) 3.5 0.5 0.5
assign (residue 19 and name HN) (residue 18 and name HA) 3.5 0.5 0.5
assign (residue 28 and name HN) (residue 27 and name HA) 3.5 0.5 0.5
assign (residue 29 and name HN) (residue 28 and name HA) 3.5 0.5 0.5
assign (residue 35 and name HN) (residue 34 and name HA) 3.5 0.5 0.5
assign (residue 46 and name HN) (residue 45 and name HA) 3.5 0.5 0.5
assign (residue 48 and name HN) (residue 47 and name HA) 3.5 0.5 0.5
assign (residue 49 and name HN) (residue 48 and name HA) 3.5 0.5 0.5
assign (residue 50 and name HN) (residue 49 and name HA) 3.5 0.5 0.5
!HA (i)-HN (i+1) added from vek50_noe_19.tbl
assign (residue 10 and name HN) (residue 9 and name HA)  3.5 0.5 0.5
assign (residue 13 and name HN) (residue 12 and name HA) 3.5 0.5 0.5
assign (residue 20 and name HN) (residue 19 and name HA) 3.5 0.5 0.5
assign (residue 23 and name HN) (residue 22 and name HA) 3.5 0.5 0.5
assign (residue 24 and name HN) (residue 23 and name HA) 3.5 0.5 0.5
!HA (i)-HN (i+1) added from vek50_noe_2D.tbl
assign (residue 6 and name HN) (residue 5 and name HA) 3.5 0.5 0.5
assign (residue 16 and name HN) (residue 15 and name HA) 3.5 0.5 0.5
assign (residue 25 and name HN) (residue 24 and name HA) 3.5 0.5 0.5
assign (residue 41 and name HN) (residue 40 and name HA) 3.5 0.5 0.5
assign (residue 47 and name HN) (residue 46 and name HA) 3.5 0.5 0.5

!HA (i)-HN (i+2) from vek50_noe_19.tbl
assign (residue 6 and name HN) (residue 4 and name HA) 4.4 1.0 1.0
assign (residue 15 and name HN) (residue 13 and name HA) 4.4 1.0 1.0
!HA (i)-HN (i+2) added from vek50_noe_2D.tbl
assign (residue 4 and name HN) (residue 2 and name HA) 4.4 1.0 1.0
assign (residue 47 and name HN) (residue 45 and name HA) 4.4 1.0 1.0
!HA (i)-HN (i+2) added from vek50_noe_17.tbl
assign (residue 9 and name HN)  (residue 7 and name HA) 4.4 1.0 1.0
assign (residue 11 and name HN) (residue 9 and name HA) 4.4 1.0 1.0
assign (residue 16 and name HN) (residue 14 and name HA) 4.4 1.0 1.0
assign (residue 18 and name HN) (residue 16 and name HA) 4.4 1.0 1.0
assign (residue 22 and name HN) (residue 20 and name HA) 4.4 1.0 1.0
assign (residue 29 and name HN) (residue 27 and name HA) 4.4 1.0 1.0
assign (residue 38 and name HN) (residue 36 and name HA) 4.4 1.0 1.0
assign (residue 45 and name HN) (residue 43 and name HA) 4.4 1.0 1.0


!HA (i)-HN (i+3) added from vek50_noe_2D.tbl
assign (residue 7 and name HN) (residue 4 and name HA) 3.5 0.5 0.5
assign (residue 10 and name HN) (residue 7 and name HA) 3.5 0.5 0.5
!assign (residue 21 and name HN) (residue 18 and name HA) 3.5 0.5 0.5
assign (residue 37 and name HN) (residue 34 and name HA) 3.5 0.5 0.5
assign (residue 38 and name HN) (residue 35 and name HA) 3.5 0.5 0.5
!HA (i)-HN (i+3) added from vek50_noe_17.tbl
assign (residue 12 and name HN) (residue 9 and name HA) 3.5 0.5 0.5
assign (residue 13 and name HN) (residue 10 and name HA) 3.5 0.5 0.5
assign (residue 23 and name HN) (residue 20 and name HA) 3.5 0.5 0.5
assign (residue 25 and name HN) (residue 22 and name HA) 3.5 0.5 0.5
assign (residue 26 and name HN) (residue 23 and name HA) 3.5 0.5 0.5
!assign (residue 33 and name HN) (residue 30 and name HA) 3.5 0.5 0.5
!assign (residue 39 and name HN) (residue 36 and name HA) 3.5 0.5 0.5
!assign (residue 43 and name HN) (residue 40 and name HA) 3.5 0.5 0.5
!assign (residue 45 and name HN) (residue 42 and name HA) 3.5 0.5 0.5
assign (residue 47 and name HN) (residue 44 and name HA) 3.5 0.5 0.5
assign (residue 48 and name HN) (residue 45 and name HA) 3.5 0.5 0.5


!HB (i)-HN (i) added from vek50_noe_16.tbl
assign (residue 4 and name HB#) (residue 4 and name HN) 3.5 1.0 1.5
assign (residue 6 and name HB#) (residue 6 and name HN) 3.5 1.0 1.5
assign (residue 7 and name HB) (residue 7 and name HN) 3.5 1.0 1.5
assign (residue 8 and name HB#) (residue 8 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HB1) (residue 15 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HB2) (residue 15 and name HN) 3.5 1.0 1.5
assign (residue 21 and name HB#) (residue 21 and name HN) 3.5 1.0 1.5
assign (residue 28 and name HB1) (residue 28 and name HN) 3.5 1.0 1.5
assign (residue 28 and name HB2) (residue 28 and name HN) 3.5 1.0 1.5
assign (residue 34 and name HB#) (residue 34 and name HN) 3.5 1.0 1.5
assign (residue 42 and name HB#) (residue 42 and name HN) 3.5 1.0 1.5
assign (residue 45 and name HB1) (residue 45 and name HN) 3.5 1.0 1.5
assign (residue 45 and name HB2) (residue 45 and name HN) 3.5 1.0 1.5
assign (residue 48 and name HB#) (residue 48 and name HN) 3.5 1.0 1.5
assign (residue 49 and name HB#) (residue 49 and name HN) 3.5 1.0 1.5
assign (residue 9 and name HN) (residue 9 and name HB#) 3.5 1.0 1.5
assign (residue 10 and name HN) (residue 10 and name HB#) 3.5 1.0 1.5
assign (residue 11 and name HN) (residue 11 and name HB#) 3.5 1.0 1.5
assign (residue 12 and name HN) (residue 12 and name HB#) 3.5 1.0 1.5
assign (residue 13 and name HN) (residue 13 and name HB#) 3.5 1.0 1.5
assign (residue 14 and name HN) (residue 14 and name HB#) 3.5 1.0 1.5
assign (residue 16 and name HN) (residue 16 and name HB#) 3.5 1.0 1.5
assign (residue 17 and name HN) (residue 17 and name HB#) 3.5 1.0 1.5
assign (residue 19 and name HN) (residue 19 and name HB#) 3.5 1.0 1.5
assign (residue 20 and name HN) (residue 20 and name HB#) 3.5 1.0 1.5
assign (residue 22 and name HN) (residue 22 and name HB#) 3.5 1.0 1.5
assign (residue 23 and name HN) (residue 23 and name HB#) 3.5 1.0 1.5
assign (residue 24 and name HN) (residue 24 and name HB#) 3.5 1.0 1.5
assign (residue 27 and name HN) (residue 27 and name HB#) 3.5 1.0 1.5
assign (residue 28 and name HN) (residue 28 and name HB#) 3.5 1.0 1.5
assign (residue 29 and name HN) (residue 29 and name HB#) 3.5 1.0 1.5
assign (residue 30 and name HN) (residue 30 and name HB#) 3.5 1.0 1.5
assign (residue 35 and name HN) (residue 35 and name HB#) 3.5 1.0 1.5
assign (residue 36 and name HN) (residue 36 and name HB#) 3.5 1.0 1.5
assign (residue 37 and name HN) (residue 37 and name HB#) 3.5 1.0 1.5
assign (residue 38 and name HN) (residue 38 and name HB#) 3.5 1.0 1.5
assign (residue 39 and name HN) (residue 39 and name HB#) 3.5 1.0 1.5
assign (residue 40 and name HN) (residue 40 and name HB#) 3.5 1.0 1.5
assign (residue 41 and name HN) (residue 41 and name HB#) 3.5 1.0 1.5
assign (residue 44 and name HN) (residue 44 and name HB#) 3.5 1.0 1.5
assign (residue 43 and name HN) (residue 43 and name HB#) 3.5 1.0 1.5
assign (residue 46 and name HN) (residue 46 and name HB#) 3.5 1.0 1.5
assign (residue 47 and name HN) (residue 47 and name HB#) 3.5 1.0 1.5

!HB (i)-HN (i+1) added from vek50_noe_16.tbl
assign (residue 16 and name HN) (residue 15 and name HB1) 3.5 1.0 1.5
assign (residue 16 and name HN) (residue 15 and name HB2) 3.5 1.0 1.5
assign (residue 19 and name HN) (residue 18 and name HB1) 3.5 1.0 1.5
assign (residue 19 and name HN) (residue 18 and name HB2) 3.5 1.0 1.5
assign (residue 29 and name HN) (residue 28 and name HB1) 3.5 1.0 1.5
assign (residue 29 and name HN) (residue 28 and name HB2) 3.5 1.0 1.5
assign (residue 34 and name HN) (residue 33 and name HB2) 3.5 1.0 1.5
assign (residue 34 and name HN) (residue 33 and name HB1) 3.5 1.0 1.5
assign (residue 46 and name HN) (residue 45 and name HB1) 3.5 1.0 1.5
assign (residue 46 and name HN) (residue 45 and name HB2) 3.5 1.0 1.5
assign (residue 7 and name HN) (residue 6 and name HB#) 3.5 1.0 1.5
assign (residue 8 and name HN) (residue 7 and name HB) 3.5 1.0 1.5
assign (residue 9 and name HN) (residue 8 and name HB#) 3.5 1.0 1.5
assign (residue 10 and name HN) (residue 9 and name HB#) 3.5 1.0 1.5
assign (residue 12 and name HN) (residue 11 and name HB#) 3.5 1.0 1.5
assign (residue 15 and name HN) (residue 14 and name HB#) 3.5 1.0 1.5
assign (residue 17 and name HN) (residue 16 and name HB#) 3.5 1.0 1.5
assign (residue 21 and name HN) (residue 20 and name HB#) 3.5 1.0 1.5
assign (residue 22 and name HN) (residue 21 and name HB#) 3.5 1.0 1.5
assign (residue 23 and name HN) (residue 22 and name HB#) 3.5 1.0 1.5
assign (residue 24 and name HN) (residue 23 and name HB#) 3.5 1.0 1.5
assign (residue 25 and name HN) (residue 24 and name HB#) 3.5 1.0 1.5
assign (residue 28 and name HN) (residue 27 and name HB#) 3.5 1.0 1.5
assign (residue 35 and name HN) (residue 34 and name HB#) 3.5 1.0 1.5
assign (residue 37 and name HN) (residue 36 and name HB#) 3.5 1.0 1.5
assign (residue 38 and name HN) (residue 37 and name HB#) 3.5 1.0 1.5
assign (residue 39 and name HN) (residue 38 and name HB#) 3.5 1.0 1.5
assign (residue 42 and name HN) (residue 41 and name HB#) 3.5 1.0 1.5
assign (residue 43 and name HN) (residue 42 and name HB#) 3.5 1.0 1.5
assign (residue 45 and name HN) (residue 44 and name HB#) 3.5 1.0 1.5
assign (residue 49 and name HN) (residue 48 and name HB#) 3.5 1.0 1.5
!HB (i)-HN (i+1) added from vek50_noe_19.tbl
assign (residue 5 and name HN) (residue 4 and name HB#) 3.5 1.0 1.5

!HG (i)-HN (i) added from vek50_noe_16.tbl
assign (residue 11 and name HN) (residue 11 and name HG#) 3.5 1.0 1.5
assign (residue 12 and name HN) (residue 12 and name HG) 3.5 1.0 1.5
assign (residue 15 and name HN) (residue 15 and name HG) 3.5 1.0 1.5
assign (residue 22 and name HN) (residue 22 and name HG#) 3.5 1.0 1.5
assign (residue 26 and name HN) (residue 26 and name HG#) 3.5 1.0 1.5
assign (residue 39 and name HN) (residue 39 and name HG#) 3.5 1.0 1.5

!HD (i)-HN (i) added from vek50_noe_16.tbl
assign (residue 12 and name HD1#) (residue 10 and name HN) 3.5 1.0 1.5
assign (residue 12 and name HD2#) (residue 10 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HD1#) (residue 15 and name HN) 3.5 1.0 1.5
assign (residue 25 and name HD1#) (residue 25 and name HN) 3.5 1.0 1.5
assign (residue 25 and name HD2#) (residue 25 and name HN) 3.5 1.0 1.5
assign (residue 28 and name HD1#) (residue 28 and name HN) 3.5 1.0 1.5
assign (residue 29 and name HD#) (residue 29 and name HN) 3.5 1.0 1.5
assign (residue 49 and name HD1#) (residue 49 and name HN) 3.5 1.0 1.0
assign (residue 49 and name HD2#) (residue 49 and name HN) 3.5 1.0 1.0

!HG (i)-HN (i+1) added from vek50_noe_16.tbl
assign (residue 16 and name HN) (residue 15 and name HG) 3.5 0.5 0.5


# Restraints file 2: vek50k2-talos.tbl

!    7 T -117.641  145.245   14.045   17.909    0.528 0.700 25 10 Strong
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -117.6   28.1 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  145.2   35.8 2

!    9 D  -61.542  -36.442    6.397    6.548    0.347 0.839 25 12 Strong
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -61.5   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -36.4   20.0 2

!   10 A  -66.904  -35.459    5.700    6.698    0.326 0.814 25 17 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -66.9   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -35.5   20.0 2

!   11 E  -67.888  -39.376    4.984    5.546    0.271 0.830 25 18 Strong
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -67.9   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -39.4   20.0 2

!   12 L  -69.483  -36.369    4.981    6.167    0.297 0.825 25 18 Strong
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -69.5   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -36.4   20.0 2

!   13 Q  -65.885  -41.436    2.667    4.397    0.322 0.870 25 18 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -65.9   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -41.4   20.0 2

!   14 R  -65.782  -39.181    2.350    4.757    0.227 0.889 25 17 Strong
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -65.8   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -39.2   20.0 2

!   15 L  -64.880  -40.778    2.807    5.289    0.219 0.906 25 17 Strong
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -64.9   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -40.8   20.0 2

!   16 K  -64.436  -39.820    3.501    4.053    0.206 0.906 25 16 Strong
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -64.4   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -39.8   20.0 2

!   17 N  -66.037  -39.137    4.195    3.869    0.171 0.894 25 15 Strong
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -66.0   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -39.1   20.0 2

!   18 E  -65.334  -39.942    3.496    4.651    0.184 0.891 25 14 Strong
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -65.3   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -39.9   20.0 2

!   19 R  -64.079  -43.022    4.333    3.549    0.153 0.894 25 15 Strong
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -64.1   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -43.0   20.0 2

!   20 H  -63.772  -43.049    3.710    4.712    0.128 0.909 25 17 Strong
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -63.8   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -43.0   20.0 2

!   21 E  -63.647  -43.196    3.175    4.297    0.131 0.913 25 17 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -63.6   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -43.2   20.0 2

!   22 E  -64.507  -40.002    3.517    5.683    0.086 0.911 25 17 Strong
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -64.5   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -40.0   20.0 2

!   23 A  -66.254  -39.055    3.411    5.055    0.081 0.896 25 17 Strong
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -66.3   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -39.1   20.0 2

!   24 E  -66.427  -40.205    2.969    4.224    0.078 0.889 25 18 Strong
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -66.4   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -40.2   20.0 2

!   25 L  -61.793  -41.754    3.714    6.143    0.070 0.889 25 17 Strong
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -61.8   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -41.8   20.0 2

!   26 E  -65.338  -39.492    1.844    4.443    0.090 0.896 25 17 Strong
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -65.3   20.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -39.5   20.0 2

!   27 R  -65.420  -41.863    2.682    3.617    0.087 0.906 25 17 Strong
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -65.4   20.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -41.9   20.0 2

!   28 L  -64.880  -42.263    2.312    4.669    0.103 0.912 25 18 Strong
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -64.9   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -42.3   20.0 2

!   29 K  -64.492  -39.883    4.344    5.632    0.127 0.912 25 18 Strong
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -64.5   20.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -39.9   20.0 2

!   30 S  -64.518  -40.121    3.967    3.748    0.111 0.898 25 17 Strong
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -64.5   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -40.1   20.0 2

!   31 E  -66.499  -38.788    4.177    4.227    0.125 0.888 25 17 Strong
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -66.5   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -38.8   20.0 2

!   32 R  -64.886  -42.508    4.101    3.896    0.143 0.884 25 17 Strong
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -64.9   20.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -42.5   20.0 2

!   33 H  -68.726  -35.421    4.133    6.420    0.165 0.881 25 18 Strong
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -68.7   20.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -35.4   20.0 2

!   34 D  -68.460  -32.761    4.312   10.449    0.236 0.869 25 18 Strong
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -68.5   20.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -32.8   20.9 2

!   35 H  -70.965  -24.867    7.510    8.043    0.318 0.819 25 18 Strong
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -71.0   20.0 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -24.9   20.0 2

!   36 D  -77.447  -17.027    9.663   11.521    0.430 0.740 25 18 Strong
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -77.4   20.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -17.0   23.0 2

!   42 R -147.698  158.842   11.021   14.160    1.730 0.743 25 17 Strong
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0 -147.7   22.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  158.8   28.3 2

!   43 K  -64.208  -33.063    6.276    8.019    1.028 0.700 25 18 Strong
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -64.2   20.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -33.1   20.0 2

!   44 A  -63.143  -40.244    5.857    6.021    0.711 0.688 25 18 Strong
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -63.1   20.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -40.2   20.0 2

!   45 L  -69.925  -38.212    7.574    5.073    0.632 0.730 25 18 Strong
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -69.9   20.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -38.2   20.0 2

!   46 E  -64.822  -38.244    5.792    6.775    0.355 0.796 25 18 Strong
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -64.8   20.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -38.2   20.0 2

!   47 D  -70.290  -23.260    5.407    7.738    0.392 0.775 25 18 Strong
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -70.3   20.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -23.3   20.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -2.957 -18.550  10.302
    2    H2   GLY   1           HT2      GLY   1  -3.857 -17.124  10.408
    3    H3   GLY   1           HT3      GLY   1  -3.908 -18.254  11.667
    4    HA2  GLY   1           HA1      GLY   1  -1.581 -17.866  12.139
    5    HA3  GLY   1           HA2      GLY   1  -1.547 -16.680  10.843
    6    H    SER   2           HN       SER   2  -2.329 -17.300  14.113
    7    HA   SER   2           HA       SER   2  -4.030 -15.076  14.567
    8    HB2  SER   2           HB2      SER   2  -2.314 -16.560  16.563
    9    HB3  SER   2           HB1      SER   2  -3.717 -15.558  16.922
   10    HG   SER   2           HG       SER   2  -4.185 -17.567  15.086
   11    H    VAL   3           HN       VAL   3  -0.588 -15.435  14.345
   12    HA   VAL   3           HA       VAL   3  -0.086 -12.886  15.646
   13    HB   VAL   3           HB       VAL   3   1.521 -14.730  15.985
   14   HG11  VAL   3          HG11      VAL   3   1.333 -15.844  13.847
   15   HG12  VAL   3          HG12      VAL   3   3.016 -15.438  14.181
   16   HG13  VAL   3          HG13      VAL   3   2.085 -14.469  13.039
   17   HG21  VAL   3          HG21      VAL   3   2.329 -12.450  16.205
   18   HG22  VAL   3          HG22      VAL   3   2.684 -12.386  14.480
   19   HG23  VAL   3          HG23      VAL   3   3.590 -13.477  15.525
   20    H    GLU   4           HN       GLU   4  -0.416 -14.211  12.508
   21    HA   GLU   4           HA       GLU   4   0.751 -12.217  10.910
   22    HB2  GLU   4           HB2      GLU   4  -1.703 -13.851  10.198
   23    HB3  GLU   4           HB1      GLU   4  -0.657 -12.988   9.082
   24    HG2  GLU   4           HG2      GLU   4   0.097 -15.350  10.783
   25    HG3  GLU   4           HG1      GLU   4  -0.204 -15.357   9.046
   26    H    LYS   5           HN       LYS   5  -2.797 -12.446  11.618
   27    HA   LYS   5           HA       LYS   5  -4.307 -10.818  11.962
   28    HB2  LYS   5           HB2      LYS   5  -1.932  -9.057  12.625
   29    HB3  LYS   5           HB1      LYS   5  -3.611  -8.755  13.052
   30    HG2  LYS   5           HG2      LYS   5  -3.585 -10.747  14.487
   31    HG3  LYS   5           HG1      LYS   5  -1.890 -11.011  14.068
   32    HD2  LYS   5           HD2      LYS   5  -1.425  -8.708  14.974
   33    HD3  LYS   5           HD1      LYS   5  -3.082  -8.694  15.581
   34    HE2  LYS   5           HE2      LYS   5  -0.904 -10.644  16.315
   35    HE3  LYS   5           HE1      LYS   5  -1.567  -9.375  17.340
   36    HZ1  LYS   5           HZ1      LYS   5  -3.738 -10.539  17.182
   37    HZ2  LYS   5           HZ2      LYS   5  -2.542 -11.440  17.951
   38    HZ3  LYS   5           HZ3      LYS   5  -2.970 -11.804  16.361
   39    H    LEU   6           HN       LEU   6  -3.750 -11.364   9.400
   40    HA   LEU   6           HA       LEU   6  -4.176 -10.593   7.375
   41    HB2  LEU   6           HB2      LEU   6  -3.833  -7.827   8.514
   42    HB3  LEU   6           HB1      LEU   6  -4.191  -8.151   6.831
   43    HG   LEU   6           HG       LEU   6  -5.955  -8.724   9.207
   44   HD11  LEU   6          HD11      LEU   6  -7.468  -7.151   8.125
   45   HD12  LEU   6          HD12      LEU   6  -6.298  -6.905   6.830
   46   HD13  LEU   6          HD13      LEU   6  -5.912  -6.398   8.474
   47   HD21  LEU   6          HD21      LEU   6  -6.211 -10.559   7.680
   48   HD22  LEU   6          HD22      LEU   6  -6.311  -9.461   6.305
   49   HD23  LEU   6          HD23      LEU   6  -7.602  -9.491   7.505
   50    H    THR   7           HN       THR   7  -1.365  -8.997   8.960
   51    HA   THR   7           HA       THR   7   0.136  -9.927   6.795
   52    HB   THR   7           HB       THR   7  -0.584  -7.983   5.694
   53    HG1  THR   7           HG1      THR   7   1.349  -7.400   5.081
   54   HG21  THR   7          HG21      THR   7  -0.268  -5.702   6.611
   55   HG22  THR   7          HG22      THR   7   0.241  -6.412   8.143
   56   HG23  THR   7          HG23      THR   7  -1.404  -6.661   7.559
   57    H    ALA   8           HN       ALA   8   1.630 -10.908   8.350
   58    HA   ALA   8           HA       ALA   8   2.886  -9.241  10.370
   59    HB1  ALA   8           HB1      ALA   8   2.565 -11.629  10.859
   60    HB2  ALA   8           HB2      ALA   8   4.275 -11.216  10.859
   61    HB3  ALA   8           HB3      ALA   8   3.580 -12.060   9.481
   62    H    ASP   9           HN       ASP   9   3.229 -10.024   7.174
   63    HA   ASP   9           HA       ASP   9   5.990  -9.749   6.677
   64    HB2  ASP   9           HB2      ASP   9   4.424 -10.707   5.021
   65    HB3  ASP   9           HB1      ASP   9   3.663  -9.135   4.825
   66    H    ALA  10           HN       ALA  10   3.325  -7.426   6.577
   67    HA   ALA  10           HA       ALA  10   4.762  -5.150   5.851
   68    HB1  ALA  10           HB1      ALA  10   2.318  -5.181   5.875
   69    HB2  ALA  10           HB2      ALA  10   2.941  -3.839   6.830
   70    HB3  ALA  10           HB3      ALA  10   2.328  -5.274   7.639
   71    H    GLU  11           HN       GLU  11   4.590  -6.744   8.969
   72    HA   GLU  11           HA       GLU  11   5.541  -4.428  10.398
   73    HB2  GLU  11           HB2      GLU  11   4.059  -6.126  11.477
   74    HB3  GLU  11           HB1      GLU  11   5.363  -7.302  11.346
   75    HG2  GLU  11           HG2      GLU  11   6.735  -6.015  12.826
   76    HG3  GLU  11           HG1      GLU  11   5.543  -4.721  12.868
   77    H    LEU  12           HN       LEU  12   6.804  -7.461   9.263
   78    HA   LEU  12           HA       LEU  12   9.455  -7.041  10.217
   79    HB2  LEU  12           HB2      LEU  12  10.192  -8.869   8.763
   80    HB3  LEU  12           HB1      LEU  12   8.756  -9.306   9.649
   81    HG   LEU  12           HG       LEU  12   7.502  -8.701   7.432
   82   HD11  LEU  12          HD11      LEU  12   9.377  -7.668   6.301
   83   HD12  LEU  12          HD12      LEU  12   8.774  -9.072   5.423
   84   HD13  LEU  12          HD13      LEU  12  10.266  -9.193   6.360
   85   HD21  LEU  12          HD21      LEU  12   7.841 -10.981   6.611
   86   HD22  LEU  12          HD22      LEU  12   7.615 -10.930   8.358
   87   HD23  LEU  12          HD23      LEU  12   9.230 -11.154   7.685
   88    H    GLN  13           HN       GLN  13   7.750  -5.975   7.425
   89    HA   GLN  13           HA       GLN  13  10.002  -5.056   5.927
   90    HB2  GLN  13           HB2      GLN  13   7.831  -5.368   4.828
   91    HB3  GLN  13           HB1      GLN  13   7.117  -4.120   5.842
   92    HG2  GLN  13           HG2      GLN  13   8.615  -2.465   4.836
   93    HG3  GLN  13           HG1      GLN  13   9.281  -3.722   3.794
   94   HE21  GLN  13          HE21      GLN  13   6.524  -1.740   4.488
   95   HE22  GLN  13          HE22      GLN  13   5.689  -2.033   3.003
   96    H    ARG  14           HN       ARG  14   7.737  -3.470   8.132
   97    HA   ARG  14           HA       ARG  14   8.906  -0.905   8.037
   98    HB2  ARG  14           HB2      ARG  14   6.633  -1.437   9.034
   99    HB3  ARG  14           HB1      ARG  14   7.461  -2.122  10.423
  100    HG2  ARG  14           HG2      ARG  14   7.894   0.731   9.583
  101    HG3  ARG  14           HG1      ARG  14   6.534   0.257  10.599
  102    HD2  ARG  14           HD2      ARG  14   9.464  -0.145  11.216
  103    HD3  ARG  14           HD1      ARG  14   8.394   1.042  11.959
  104    HE   ARG  14           HE       ARG  14   7.242  -1.453  12.350
  105   HH11  ARG  14          HH11      ARG  14  10.139   0.272  13.361
  106   HH12  ARG  14          HH12      ARG  14  10.318  -0.643  14.819
  107   HH21  ARG  14          HH21      ARG  14   7.477  -2.648  14.279
  108   HH22  ARG  14          HH22      ARG  14   8.792  -2.310  15.350
  109    H    LEU  15           HN       LEU  15   9.486  -3.682  10.137
  110    HA   LEU  15           HA       LEU  15  11.403  -2.485  11.807
  111    HB2  LEU  15           HB2      LEU  15  10.251  -4.599  12.309
  112    HB3  LEU  15           HB1      LEU  15  11.106  -5.377  10.995
  113    HG   LEU  15           HG       LEU  15  13.231  -5.047  12.189
  114   HD11  LEU  15          HD11      LEU  15  13.201  -4.320  14.531
  115   HD12  LEU  15          HD12      LEU  15  11.487  -3.933  14.383
  116   HD13  LEU  15          HD13      LEU  15  12.678  -3.038  13.440
  117   HD21  LEU  15          HD21      LEU  15  11.104  -6.388  13.851
  118   HD22  LEU  15          HD22      LEU  15  12.838  -6.701  13.920
  119   HD23  LEU  15          HD23      LEU  15  11.927  -7.106  12.468
  120    H    LYS  16           HN       LYS  16  11.683  -4.183   8.734
  121    HA   LYS  16           HA       LYS  16  14.484  -4.294   8.564
  122    HB2  LYS  16           HB2      LYS  16  13.054  -5.571   7.039
  123    HB3  LYS  16           HB1      LYS  16  12.446  -4.081   6.328
  124    HG2  LYS  16           HG2      LYS  16  14.658  -3.589   5.450
  125    HG3  LYS  16           HG1      LYS  16  15.283  -5.068   6.186
  126    HD2  LYS  16           HD2      LYS  16  13.824  -6.416   4.815
  127    HD3  LYS  16           HD1      LYS  16  13.060  -4.972   4.152
  128    HE2  LYS  16           HE2      LYS  16  15.160  -4.314   3.120
  129    HE3  LYS  16           HE1      LYS  16  15.964  -5.710   3.831
  130    HZ1  LYS  16           HZ1      LYS  16  14.604  -7.163   2.522
  131    HZ2  LYS  16           HZ2      LYS  16  15.338  -6.044   1.492
  132    HZ3  LYS  16           HZ3      LYS  16  13.712  -5.869   1.903
  133    H    ASN  17           HN       ASN  17  12.218  -1.756   7.668
  134    HA   ASN  17           HA       ASN  17  14.292  -0.077   6.556
  135    HB2  ASN  17           HB2      ASN  17  11.376   0.457   7.143
  136    HB3  ASN  17           HB1      ASN  17  12.473   1.718   6.601
  137   HD21  ASN  17          HD21      ASN  17  10.139   0.632   5.295
  138   HD22  ASN  17          HD22      ASN  17  10.672   0.032   3.764
  139    H    GLU  18           HN       GLU  18  12.686  -0.463   9.597
  140    HA   GLU  18           HA       GLU  18  13.495   1.867  10.905
  141    HB2  GLU  18           HB2      GLU  18  11.914   0.020  11.710
  142    HB3  GLU  18           HB1      GLU  18  13.353  -0.867  12.180
  143    HG2  GLU  18           HG2      GLU  18  12.524   0.217  14.106
  144    HG3  GLU  18           HG1      GLU  18  13.979   1.085  13.608
  145    H    ARG  19           HN       ARG  19  15.087  -1.253  10.457
  146    HA   ARG  19           HA       ARG  19  17.385  -0.618  11.989
  147    HB2  ARG  19           HB2      ARG  19  16.680  -2.964  11.371
  148    HB3  ARG  19           HB1      ARG  19  17.261  -2.642   9.741
  149    HG2  ARG  19           HG2      ARG  19  18.932  -3.858  10.940
  150    HG3  ARG  19           HG1      ARG  19  19.508  -2.209  10.685
  151    HD2  ARG  19           HD2      ARG  19  18.757  -1.638  12.976
  152    HD3  ARG  19           HD1      ARG  19  18.301  -3.324  13.215
  153    HE   ARG  19           HE       ARG  19  21.064  -2.734  12.484
  154   HH11  ARG  19          HH11      ARG  19  18.761  -3.642  14.968
  155   HH12  ARG  19          HH12      ARG  19  19.963  -4.228  16.060
  156   HH21  ARG  19          HH21      ARG  19  22.670  -3.498  13.939
  157   HH22  ARG  19          HH22      ARG  19  22.202  -4.146  15.472
  158    H    HIS  20           HN       HIS  20  16.568  -0.219   8.589
  159    HA   HIS  20           HA       HIS  20  19.059   0.542   7.578
  160    HB2  HIS  20           HB2      HIS  20  16.288   1.496   6.801
  161    HB3  HIS  20           HB1      HIS  20  17.736   1.980   5.937
  162    HD1  HIS  20           HD1      HIS  20  15.194   0.090   4.998
  163    HD2  HIS  20           HD2      HIS  20  19.133  -1.017   5.749
  164    HE1  HIS  20           HE1      HIS  20  15.550  -2.033   3.721
  165    H    GLU  21           HN       GLU  21  16.638   2.450   9.265
  166    HA   GLU  21           HA       GLU  21  17.959   4.954   9.058
  167    HB2  GLU  21           HB2      GLU  21  15.913   3.949  11.048
  168    HB3  GLU  21           HB1      GLU  21  16.477   5.607  10.968
  169    HG2  GLU  21           HG2      GLU  21  15.258   4.250   8.598
  170    HG3  GLU  21           HG1      GLU  21  14.281   5.052   9.824
  171    H    GLU  22           HN       GLU  22  18.304   2.243  11.196
  172    HA   GLU  22           HA       GLU  22  19.688   3.761  13.237
  173    HB2  GLU  22           HB2      GLU  22  18.224   1.788  13.780
  174    HB3  GLU  22           HB1      GLU  22  19.419   0.756  13.005
  175    HG2  GLU  22           HG2      GLU  22  19.705   0.705  15.388
  176    HG3  GLU  22           HG1      GLU  22  21.090   1.491  14.637
  177    H    ALA  23           HN       ALA  23  20.472   1.790  10.439
  178    HA   ALA  23           HA       ALA  23  23.217   1.427  11.247
  179    HB1  ALA  23           HB1      ALA  23  22.062  -0.315   9.923
  180    HB2  ALA  23           HB2      ALA  23  23.487   0.314   9.103
  181    HB3  ALA  23           HB3      ALA  23  21.888   0.832   8.590
  182    H    GLU  24           HN       GLU  24  21.276   3.601   9.458
  183    HA   GLU  24           HA       GLU  24  23.381   4.848   7.981
  184    HB2  GLU  24           HB2      GLU  24  21.040   5.106   7.254
  185    HB3  GLU  24           HB1      GLU  24  20.648   5.945   8.748
  186    HG2  GLU  24           HG2      GLU  24  20.879   7.536   6.987
  187    HG3  GLU  24           HG1      GLU  24  22.216   7.733   8.117
  188    H    LEU  25           HN       LEU  25  21.670   5.595  10.982
  189    HA   LEU  25           HA       LEU  25  23.153   7.857  11.686
  190    HB2  LEU  25           HB2      LEU  25  21.788   5.828  13.451
  191    HB3  LEU  25           HB1      LEU  25  22.410   7.368  14.010
  192    HG   LEU  25           HG       LEU  25  20.199   7.012  11.983
  193   HD11  LEU  25          HD11      LEU  25  19.506   6.349  14.218
  194   HD12  LEU  25          HD12      LEU  25  18.734   7.859  13.738
  195   HD13  LEU  25          HD13      LEU  25  20.090   7.882  14.865
  196   HD21  LEU  25          HD21      LEU  25  21.456   9.047  11.578
  197   HD22  LEU  25          HD22      LEU  25  21.325   9.495  13.279
  198   HD23  LEU  25          HD23      LEU  25  19.881   9.438  12.269
  199    H    GLU  26           HN       GLU  26  23.764   4.472  12.187
  200    HA   GLU  26           HA       GLU  26  26.046   4.601  13.814
  201    HB2  GLU  26           HB2      GLU  26  25.388   2.654  11.608
  202    HB3  GLU  26           HB1      GLU  26  26.821   2.492  12.605
  203    HG2  GLU  26           HG2      GLU  26  25.223   2.499  14.591
  204    HG3  GLU  26           HG1      GLU  26  23.945   2.250  13.402
  205    H    ARG  27           HN       ARG  27  25.781   4.814  10.326
  206    HA   ARG  27           HA       ARG  27  28.590   5.228   9.894
  207    HB2  ARG  27           HB2      ARG  27  27.235   4.199   8.143
  208    HB3  ARG  27           HB1      ARG  27  26.226   5.636   8.039
  209    HG2  ARG  27           HG2      ARG  27  28.059   6.919   7.180
  210    HG3  ARG  27           HG1      ARG  27  29.159   5.559   7.405
  211    HD2  ARG  27           HD2      ARG  27  28.480   5.740   5.089
  212    HD3  ARG  27           HD1      ARG  27  27.870   4.248   5.798
  213    HE   ARG  27           HE       ARG  27  25.792   5.979   6.091
  214   HH11  ARG  27          HH11      ARG  27  27.775   5.049   3.350
  215   HH12  ARG  27          HH12      ARG  27  26.499   5.242   2.199
  216   HH21  ARG  27          HH21      ARG  27  24.107   6.247   4.574
  217   HH22  ARG  27          HH22      ARG  27  24.403   5.922   2.892
  218    H    LEU  28           HN       LEU  28  25.779   7.257  10.221
  219    HA   LEU  28           HA       LEU  28  26.889   9.692   9.327
  220    HB2  LEU  28           HB2      LEU  28  24.457   9.359   9.699
  221    HB3  LEU  28           HB1      LEU  28  24.743   9.308  11.429
  222    HG   LEU  28           HG       LEU  28  25.551  11.647  11.327
  223   HD11  LEU  28          HD11      LEU  28  25.093  12.969   9.320
  224   HD12  LEU  28          HD12      LEU  28  24.617  11.501   8.465
  225   HD13  LEU  28          HD13      LEU  28  26.282  11.704   9.012
  226   HD21  LEU  28          HD21      LEU  28  22.778  11.165  10.241
  227   HD22  LEU  28          HD22      LEU  28  23.337  12.653  11.006
  228   HD23  LEU  28          HD23      LEU  28  23.248  11.161  11.942
  229    H    LYS  29           HN       LYS  29  26.760   8.233  12.554
  230    HA   LYS  29           HA       LYS  29  28.084  10.390  13.844
  231    HB2  LYS  29           HB2      LYS  29  27.749   7.513  14.719
  232    HB3  LYS  29           HB1      LYS  29  28.414   8.791  15.722
  233    HG2  LYS  29           HG2      LYS  29  26.247  10.018  15.450
  234    HG3  LYS  29           HG1      LYS  29  25.608   8.575  14.662
  235    HD2  LYS  29           HD2      LYS  29  26.748   8.677  17.458
  236    HD3  LYS  29           HD1      LYS  29  25.032   8.679  17.065
  237    HE2  LYS  29           HE2      LYS  29  26.983   6.485  16.371
  238    HE3  LYS  29           HE1      LYS  29  25.856   6.448  17.723
  239    HZ1  LYS  29           HZ1      LYS  29  24.987   5.219  15.854
  240    HZ2  LYS  29           HZ2      LYS  29  25.131   6.568  14.846
  241    HZ3  LYS  29           HZ3      LYS  29  24.029   6.584  16.125
  242    H    SER  30           HN       SER  30  29.203   7.873  11.838
  243    HA   SER  30           HA       SER  30  31.855   7.760  12.968
  244    HB2  SER  30           HB2      SER  30  30.867   5.766  11.830
  245    HB3  SER  30           HB1      SER  30  30.823   6.670  10.317
  246    HG   SER  30           HG       SER  30  32.891   6.362  10.067
  247    H    GLU  31           HN       GLU  31  30.262   9.137  10.135
  248    HA   GLU  31           HA       GLU  31  32.589  10.361   9.050
  249    HB2  GLU  31           HB2      GLU  31  29.652  10.911   8.624
  250    HB3  GLU  31           HB1      GLU  31  30.941  11.650   7.687
  251    HG2  GLU  31           HG2      GLU  31  30.412   8.693   7.849
  252    HG3  GLU  31           HG1      GLU  31  29.860   9.752   6.552
  253    H    ARG  32           HN       ARG  32  29.790  11.636  10.803
  254    HA   ARG  32           HA       ARG  32  30.684  14.306  10.917
  255    HB2  ARG  32           HB2      ARG  32  28.663  12.867  12.633
  256    HB3  ARG  32           HB1      ARG  32  28.908  14.605  12.627
  257    HG2  ARG  32           HG2      ARG  32  28.011  12.952  10.268
  258    HG3  ARG  32           HG1      ARG  32  26.971  13.951  11.286
  259    HD2  ARG  32           HD2      ARG  32  27.369  15.631   9.873
  260    HD3  ARG  32           HD1      ARG  32  29.020  15.655  10.481
  261    HE   ARG  32           HE       ARG  32  28.761  13.707   8.446
  262   HH11  ARG  32          HH11      ARG  32  28.914  17.196   8.906
  263   HH12  ARG  32          HH12      ARG  32  29.533  17.493   7.315
  264   HH21  ARG  32          HH21      ARG  32  29.610  14.109   6.352
  265   HH22  ARG  32          HH22      ARG  32  29.930  15.734   5.855
  266    H    HIS  33           HN       HIS  33  31.585  11.577  12.740
  267    HA   HIS  33           HA       HIS  33  32.164  12.510  15.266
  268    HB2  HIS  33           HB2      HIS  33  32.457  10.159  14.279
  269    HB3  HIS  33           HB1      HIS  33  34.048  10.704  13.766
  270    HD1  HIS  33           HD1      HIS  33  32.376   9.091  16.486
  271    HD2  HIS  33           HD2      HIS  33  35.648  11.629  16.135
  272    HE1  HIS  33           HE1      HIS  33  33.663   8.817  18.616
  273    H    ASP  34           HN       ASP  34  34.001  13.053  12.307
  274    HA   ASP  34           HA       ASP  34  36.150  14.401  13.783
  275    HB2  ASP  34           HB2      ASP  34  36.626  12.898  11.797
  276    HB3  ASP  34           HB1      ASP  34  35.890  14.131  10.779
  277    H    HIS  35           HN       HIS  35  33.234  15.189  12.654
  278    HA   HIS  35           HA       HIS  35  33.970  17.872  11.715
  279    HB2  HIS  35           HB2      HIS  35  31.329  16.416  11.539
  280    HB3  HIS  35           HB1      HIS  35  31.573  18.081  11.027
  281    HD2  HIS  35           HD2      HIS  35  33.625  18.254   8.889
  282    HE1  HIS  35           HE1      HIS  35  32.684  14.360   7.510
  283    HE2  HIS  35           HE2      HIS  35  34.084  16.415   7.143
  284    H    ASP  36           HN       ASP  36  32.984  16.286  14.493
  285    HA   ASP  36           HA       ASP  36  31.254  18.234  15.624
  286    HB2  ASP  36           HB2      ASP  36  31.401  17.029  17.671
  287    HB3  ASP  36           HB1      ASP  36  31.473  15.818  16.404
  288    H    LYS  37           HN       LYS  37  34.679  17.894  15.456
  289    HA   LYS  37           HA       LYS  37  35.335  19.842  17.450
  290    HB2  LYS  37           HB2      LYS  37  36.912  18.058  16.553
  291    HB3  LYS  37           HB1      LYS  37  37.049  19.021  15.088
  292    HG2  LYS  37           HG2      LYS  37  37.956  20.872  16.424
  293    HG3  LYS  37           HG1      LYS  37  37.863  19.851  17.861
  294    HD2  LYS  37           HD2      LYS  37  39.352  18.216  16.741
  295    HD3  LYS  37           HD1      LYS  37  39.506  19.336  15.384
  296    HE2  LYS  37           HE2      LYS  37  40.408  21.029  16.949
  297    HE3  LYS  37           HE1      LYS  37  40.342  19.829  18.237
  298    HZ1  LYS  37           HZ1      LYS  37  41.948  19.616  15.753
  299    HZ2  LYS  37           HZ2      LYS  37  41.884  18.455  16.981
  300    HZ3  LYS  37           HZ3      LYS  37  42.547  19.979  17.292
  301    H    LYS  38           HN       LYS  38  34.130  20.015  14.306
  302    HA   LYS  38           HA       LYS  38  35.075  22.753  13.887
  303    HB2  LYS  38           HB2      LYS  38  33.666  20.850  12.003
  304    HB3  LYS  38           HB1      LYS  38  34.194  22.475  11.592
  305    HG2  LYS  38           HG2      LYS  38  36.496  21.864  11.916
  306    HG3  LYS  38           HG1      LYS  38  36.030  20.257  12.473
  307    HD2  LYS  38           HD2      LYS  38  35.078  19.775  10.276
  308    HD3  LYS  38           HD1      LYS  38  35.514  21.394   9.726
  309    HE2  LYS  38           HE2      LYS  38  37.470  19.299  10.675
  310    HE3  LYS  38           HE1      LYS  38  37.108  19.647   8.987
  311    HZ1  LYS  38           HZ1      LYS  38  38.296  21.545  10.939
  312    HZ2  LYS  38           HZ2      LYS  38  37.915  21.902   9.330
  313    HZ3  LYS  38           HZ3      LYS  38  39.114  20.767   9.678
  314    H    GLU  39           HN       GLU  39  32.106  20.822  14.045
  315    HA   GLU  39           HA       GLU  39  30.649  23.092  15.055
  316    HB2  GLU  39           HB2      GLU  39  30.470  23.482  12.648
  317    HB3  GLU  39           HB1      GLU  39  29.920  21.834  12.399
  318    HG2  GLU  39           HG2      GLU  39  28.079  23.412  12.260
  319    HG3  GLU  39           HG1      GLU  39  27.872  22.315  13.622
  320    H    ALA  40           HN       ALA  40  28.621  22.500  15.934
  321    HA   ALA  40           HA       ALA  40  28.546  19.809  16.970
  322    HB1  ALA  40           HB1      ALA  40  27.926  21.724  18.370
  323    HB2  ALA  40           HB2      ALA  40  26.623  20.551  18.244
  324    HB3  ALA  40           HB3      ALA  40  26.541  22.047  17.322
  325    H    GLU  41           HN       GLU  41  28.297  18.840  14.663
  326    HA   GLU  41           HA       GLU  41  26.318  19.193  12.861
  327    HB2  GLU  41           HB2      GLU  41  27.357  16.501  13.727
  328    HB3  GLU  41           HB1      GLU  41  26.696  16.922  12.155
  329    HG2  GLU  41           HG2      GLU  41  29.220  18.062  13.330
  330    HG3  GLU  41           HG1      GLU  41  29.147  16.748  12.161
  331    H    ARG  42           HN       ARG  42  25.973  17.358  15.900
  332    HA   ARG  42           HA       ARG  42  23.211  17.448  15.805
  333    HB2  ARG  42           HB2      ARG  42  23.734  15.549  14.194
  334    HB3  ARG  42           HB1      ARG  42  24.498  14.716  15.540
  335    HG2  ARG  42           HG2      ARG  42  22.376  14.723  16.748
  336    HG3  ARG  42           HG1      ARG  42  21.611  15.545  15.389
  337    HD2  ARG  42           HD2      ARG  42  22.276  13.589  13.961
  338    HD3  ARG  42           HD1      ARG  42  22.789  12.772  15.439
  339    HE   ARG  42           HE       ARG  42  20.041  13.770  15.192
  340   HH11  ARG  42          HH11      ARG  42  22.233  11.040  15.532
  341   HH12  ARG  42          HH12      ARG  42  20.977   9.919  15.908
  342   HH21  ARG  42          HH21      ARG  42  18.378  12.272  15.680
  343   HH22  ARG  42          HH22      ARG  42  18.775  10.618  15.984
  344    H    LYS  43           HN       LYS  43  22.504  16.868  17.742
  345    HA   LYS  43           HA       LYS  43  23.955  17.373  19.995
  346    HB2  LYS  43           HB2      LYS  43  21.445  15.742  19.739
  347    HB3  LYS  43           HB1      LYS  43  22.165  16.115  21.300
  348    HG2  LYS  43           HG2      LYS  43  21.991  18.520  20.773
  349    HG3  LYS  43           HG1      LYS  43  21.181  18.106  19.264
  350    HD2  LYS  43           HD2      LYS  43  20.173  17.280  21.982
  351    HD3  LYS  43           HD1      LYS  43  19.662  18.754  21.162
  352    HE2  LYS  43           HE2      LYS  43  19.346  15.947  20.099
  353    HE3  LYS  43           HE1      LYS  43  18.071  16.911  20.839
  354    HZ1  LYS  43           HZ1      LYS  43  18.340  18.537  19.053
  355    HZ2  LYS  43           HZ2      LYS  43  17.935  17.013  18.447
  356    HZ3  LYS  43           HZ3      LYS  43  19.523  17.569  18.333
  357    H    ALA  44           HN       ALA  44  23.475  14.153  18.605
  358    HA   ALA  44           HA       ALA  44  24.735  12.619  20.575
  359    HB1  ALA  44           HB1      ALA  44  24.888  12.154  17.585
  360    HB2  ALA  44           HB2      ALA  44  23.598  11.590  18.652
  361    HB3  ALA  44           HB3      ALA  44  25.232  10.965  18.836
  362    H    LEU  45           HN       LEU  45  26.090  14.709  18.245
  363    HA   LEU  45           HA       LEU  45  28.857  13.901  18.833
  364    HB2  LEU  45           HB2      LEU  45  27.761  15.920  16.862
  365    HB3  LEU  45           HB1      LEU  45  29.470  15.702  17.158
  366    HG   LEU  45           HG       LEU  45  28.984  14.556  15.153
  367   HD11  LEU  45          HD11      LEU  45  29.093  12.491  17.336
  368   HD12  LEU  45          HD12      LEU  45  30.470  13.355  16.653
  369   HD13  LEU  45          HD13      LEU  45  29.534  12.251  15.646
  370   HD21  LEU  45          HD21      LEU  45  26.711  13.192  16.590
  371   HD22  LEU  45          HD22      LEU  45  27.244  12.835  14.948
  372   HD23  LEU  45          HD23      LEU  45  26.571  14.419  15.332
  373    H    GLU  46           HN       GLU  46  26.678  16.596  19.128
  374    HA   GLU  46           HA       GLU  46  28.387  18.502  20.292
  375    HB2  GLU  46           HB2      GLU  46  26.073  18.949  19.387
  376    HB3  GLU  46           HB1      GLU  46  25.430  18.199  20.843
  377    HG2  GLU  46           HG2      GLU  46  26.594  19.927  22.174
  378    HG3  GLU  46           HG1      GLU  46  27.055  20.714  20.665
  379    H    ASP  47           HN       ASP  47  26.637  15.838  21.657
  380    HA   ASP  47           HA       ASP  47  26.786  16.559  24.404
  381    HB2  ASP  47           HB2      ASP  47  25.257  14.792  23.717
  382    HB3  ASP  47           HB1      ASP  47  26.596  13.803  23.141
  383    H    LYS  48           HN       LYS  48  28.804  14.471  22.451
  384    HA   LYS  48           HA       LYS  48  30.820  13.867  24.219
  385    HB2  LYS  48           HB2      LYS  48  31.112  14.532  21.289
  386    HB3  LYS  48           HB1      LYS  48  32.384  13.806  22.262
  387    HG2  LYS  48           HG2      LYS  48  29.672  12.599  21.748
  388    HG3  LYS  48           HG1      LYS  48  31.172  12.138  20.943
  389    HD2  LYS  48           HD2      LYS  48  32.121  11.496  23.129
  390    HD3  LYS  48           HD1      LYS  48  30.592  11.917  23.901
  391    HE2  LYS  48           HE2      LYS  48  30.714   9.529  23.558
  392    HE3  LYS  48           HE1      LYS  48  29.458  10.222  22.535
  393    HZ1  LYS  48           HZ1      LYS  48  30.807   8.589  21.366
  394    HZ2  LYS  48           HZ2      LYS  48  32.195   9.515  21.637
  395    HZ3  LYS  48           HZ3      LYS  48  30.953  10.121  20.664
  396    H    LEU  49           HN       LEU  49  30.582  16.838  22.289
  397    HA   LEU  49           HA       LEU  49  32.858  18.106  23.362
  398    HB2  LEU  49           HB2      LEU  49  30.323  19.422  22.386
  399    HB3  LEU  49           HB1      LEU  49  31.915  20.146  22.474
  400    HG   LEU  49           HG       LEU  49  31.173  17.865  20.645
  401   HD11  LEU  49          HD11      LEU  49  31.263  19.536  18.859
  402   HD12  LEU  49          HD12      LEU  49  31.490  20.802  20.067
  403   HD13  LEU  49          HD13      LEU  49  29.986  19.886  20.024
  404   HD21  LEU  49          HD21      LEU  49  33.536  17.897  21.242
  405   HD22  LEU  49          HD22      LEU  49  33.638  19.597  20.789
  406   HD23  LEU  49          HD23      LEU  49  33.310  18.376  19.560
  407    H    ALA  50           HN       ALA  50  29.460  18.471  24.095
  408    HA   ALA  50           HA       ALA  50  29.713  20.081  26.402
  409    HB1  ALA  50           HB1      ALA  50  27.442  18.227  25.695
  410    HB2  ALA  50           HB2      ALA  50  27.618  19.899  25.159
  411    HB3  ALA  50           HB3      ALA  50  27.379  19.539  26.869
  412    H    ASP  51           HN       ASP  51  31.458  18.980  27.437
  413    HA   ASP  51           HA       ASP  51  31.179  16.426  28.647
  414    HB2  ASP  51           HB2      ASP  51  33.383  17.493  28.250
  415    HB3  ASP  51           HB1      ASP  51  33.020  18.665  29.512
  416    H    TYR  52           HN       TYR  52  29.496  16.122  29.881
  417    HA   TYR  52           HA       TYR  52  29.367  17.596  32.410
  418    HB2  TYR  52           HB2      TYR  52  26.981  17.117  30.612
  419    HB3  TYR  52           HB1      TYR  52  26.862  17.636  32.287
  420    HD1  TYR  52           HD1      TYR  52  27.035  18.704  28.938
  421    HD2  TYR  52           HD2      TYR  52  28.177  19.841  32.871
  422    HE1  TYR  52           HE1      TYR  52  27.217  21.040  28.203
  423    HE2  TYR  52           HE2      TYR  52  28.364  22.183  32.142
  424    HH   TYR  52           HH       TYR  52  28.740  23.428  30.023
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -2.801  -7.466  18.132
    2    H2   GLY   1           HT2      GLY   1  -1.579  -6.366  18.529
    3    H3   GLY   1           HT3      GLY   1  -1.309  -7.537  17.336
    4    HA2  GLY   1           HA1      GLY   1  -3.232  -5.282  17.184
    5    HA3  GLY   1           HA2      GLY   1  -1.708  -5.403  16.315
    6    H    SER   2           HN       SER   2  -4.610  -5.253  15.447
    7    HA   SER   2           HA       SER   2  -5.384  -7.725  14.375
    8    HB2  SER   2           HB2      SER   2  -6.064  -4.950  13.386
    9    HB3  SER   2           HB1      SER   2  -6.938  -6.431  12.996
   10    HG   SER   2           HG       SER   2  -7.893  -6.364  14.869
   11    H    VAL   3           HN       VAL   3  -3.866  -4.936  12.712
   12    HA   VAL   3           HA       VAL   3  -3.506  -6.278  10.256
   13    HB   VAL   3           HB       VAL   3  -1.773  -4.018  11.271
   14   HG11  VAL   3          HG11      VAL   3  -2.608  -4.833   8.489
   15   HG12  VAL   3          HG12      VAL   3  -1.011  -5.054   9.206
   16   HG13  VAL   3          HG13      VAL   3  -1.621  -3.429   8.894
   17   HG21  VAL   3          HG21      VAL   3  -4.100  -3.404  11.620
   18   HG22  VAL   3          HG22      VAL   3  -4.486  -3.848   9.957
   19   HG23  VAL   3          HG23      VAL   3  -3.419  -2.481  10.281
   20    H    GLU   4           HN       GLU   4  -1.623  -6.029  13.110
   21    HA   GLU   4           HA       GLU   4   0.859  -7.073  12.306
   22    HB2  GLU   4           HB2      GLU   4   0.663  -6.185  14.526
   23    HB3  GLU   4           HB1      GLU   4  -0.626  -7.302  14.939
   24    HG2  GLU   4           HG2      GLU   4   1.087  -9.143  14.658
   25    HG3  GLU   4           HG1      GLU   4   2.298  -7.860  14.624
   26    H    LYS   5           HN       LYS   5  -2.020  -8.733  13.445
   27    HA   LYS   5           HA       LYS   5  -0.955 -11.371  13.056
   28    HB2  LYS   5           HB2      LYS   5  -2.623 -10.848  14.785
   29    HB3  LYS   5           HB1      LYS   5  -3.780 -10.441  13.531
   30    HG2  LYS   5           HG2      LYS   5  -3.589 -12.803  12.715
   31    HG3  LYS   5           HG1      LYS   5  -2.629 -13.149  14.157
   32    HD2  LYS   5           HD2      LYS   5  -4.941 -13.756  14.553
   33    HD3  LYS   5           HD1      LYS   5  -4.511 -12.369  15.557
   34    HE2  LYS   5           HE2      LYS   5  -5.564 -10.871  13.921
   35    HE3  LYS   5           HE1      LYS   5  -5.998 -12.262  12.932
   36    HZ1  LYS   5           HZ1      LYS   5  -7.337 -13.065  14.797
   37    HZ2  LYS   5           HZ2      LYS   5  -7.854 -11.567  14.229
   38    HZ3  LYS   5           HZ3      LYS   5  -6.971 -11.660  15.664
   39    H    LEU   6           HN       LEU   6  -2.891  -9.155  11.207
   40    HA   LEU   6           HA       LEU   6  -3.803 -11.145   9.329
   41    HB2  LEU   6           HB2      LEU   6  -3.991  -8.136   9.210
   42    HB3  LEU   6           HB1      LEU   6  -4.742  -9.232   8.073
   43    HG   LEU   6           HG       LEU   6  -5.395  -9.039  11.015
   44   HD11  LEU   6          HD11      LEU   6  -7.531  -8.133  10.249
   45   HD12  LEU   6          HD12      LEU   6  -6.952  -8.175   8.585
   46   HD13  LEU   6          HD13      LEU   6  -6.177  -7.112   9.760
   47   HD21  LEU   6          HD21      LEU   6  -5.690 -11.311  10.207
   48   HD22  LEU   6          HD22      LEU   6  -6.625 -10.723   8.832
   49   HD23  LEU   6          HD23      LEU   6  -7.259 -10.551  10.468
   50    H    THR   7           HN       THR   7  -1.137  -8.869   9.469
   51    HA   THR   7           HA       THR   7  -0.087 -10.024   7.062
   52    HB   THR   7           HB       THR   7  -0.387  -7.036   7.386
   53    HG1  THR   7           HG1      THR   7  -1.989  -8.986   6.298
   54   HG21  THR   7          HG21      THR   7   0.501  -6.941   5.117
   55   HG22  THR   7          HG22      THR   7   0.616  -8.698   5.064
   56   HG23  THR   7          HG23      THR   7   1.644  -7.781   6.163
   57    H    ALA   8           HN       ALA   8   1.668 -10.846   8.406
   58    HA   ALA   8           HA       ALA   8   3.141  -9.130  10.152
   59    HB1  ALA   8           HB1      ALA   8   3.065 -11.577  10.509
   60    HB2  ALA   8           HB2      ALA   8   4.711 -10.970  10.381
   61    HB3  ALA   8           HB3      ALA   8   3.983 -11.810   9.017
   62    H    ASP   9           HN       ASP   9   3.099  -9.696   6.851
   63    HA   ASP   9           HA       ASP   9   5.760  -9.258   6.055
   64    HB2  ASP   9           HB2      ASP   9   3.959  -9.992   4.475
   65    HB3  ASP   9           HB1      ASP   9   3.257  -8.380   4.554
   66    H    ALA  10           HN       ALA  10   3.089  -7.025   6.611
   67    HA   ALA  10           HA       ALA  10   4.461  -4.649   5.997
   68    HB1  ALA  10           HB1      ALA  10   2.691  -3.477   7.188
   69    HB2  ALA  10           HB2      ALA  10   2.154  -4.979   7.929
   70    HB3  ALA  10           HB3      ALA  10   2.009  -4.750   6.182
   71    H    GLU  11           HN       GLU  11   4.373  -6.533   8.931
   72    HA   GLU  11           HA       GLU  11   5.539  -4.455  10.543
   73    HB2  GLU  11           HB2      GLU  11   5.208  -7.410  11.123
   74    HB3  GLU  11           HB1      GLU  11   5.691  -6.186  12.288
   75    HG2  GLU  11           HG2      GLU  11   3.018  -6.395  10.904
   76    HG3  GLU  11           HG1      GLU  11   3.372  -6.696  12.599
   77    H    LEU  12           HN       LEU  12   6.596  -7.317   8.881
   78    HA   LEU  12           HA       LEU  12   9.300  -7.324   9.697
   79    HB2  LEU  12           HB2      LEU  12   7.904  -8.386   7.243
   80    HB3  LEU  12           HB1      LEU  12   9.643  -8.395   7.338
   81    HG   LEU  12           HG       LEU  12   9.708 -10.040   8.974
   82   HD11  LEU  12          HD11      LEU  12   7.822 -10.695  10.389
   83   HD12  LEU  12          HD12      LEU  12   6.824  -9.451   9.632
   84   HD13  LEU  12          HD13      LEU  12   8.223  -8.989  10.601
   85   HD21  LEU  12          HD21      LEU  12   8.867 -10.940   6.888
   86   HD22  LEU  12          HD22      LEU  12   7.211 -10.589   7.389
   87   HD23  LEU  12          HD23      LEU  12   8.161 -11.800   8.259
   88    H    GLN  13           HN       GLN  13   7.623  -5.647   7.098
   89    HA   GLN  13           HA       GLN  13   9.828  -4.474   5.837
   90    HB2  GLN  13           HB2      GLN  13   7.005  -3.444   6.155
   91    HB3  GLN  13           HB1      GLN  13   8.216  -2.673   5.148
   92    HG2  GLN  13           HG2      GLN  13   7.177  -5.474   4.804
   93    HG3  GLN  13           HG1      GLN  13   6.707  -4.071   3.848
   94   HE21  GLN  13          HE21      GLN  13   8.224  -3.153   2.434
   95   HE22  GLN  13          HE22      GLN  13   9.588  -4.052   1.867
   96    H    ARG  14           HN       ARG  14   7.970  -3.447   8.656
   97    HA   ARG  14           HA       ARG  14   9.128  -0.913   8.994
   98    HB2  ARG  14           HB2      ARG  14   8.160  -2.773  11.180
   99    HB3  ARG  14           HB1      ARG  14   8.390  -1.040  11.319
  100    HG2  ARG  14           HG2      ARG  14   6.626  -0.732   9.601
  101    HG3  ARG  14           HG1      ARG  14   6.345  -2.473   9.652
  102    HD2  ARG  14           HD2      ARG  14   5.959  -2.242  12.120
  103    HD3  ARG  14           HD1      ARG  14   6.010  -0.493  11.896
  104    HE   ARG  14           HE       ARG  14   3.914  -2.332  11.048
  105   HH11  ARG  14          HH11      ARG  14   5.198   0.953  10.945
  106   HH12  ARG  14          HH12      ARG  14   3.687   1.658  10.496
  107   HH21  ARG  14          HH21      ARG  14   1.933  -1.379  10.453
  108   HH22  ARG  14          HH22      ARG  14   1.826   0.328  10.193
  109    H    LEU  15           HN       LEU  15  10.042  -4.082  10.259
  110    HA   LEU  15           HA       LEU  15  12.230  -3.234  11.802
  111    HB2  LEU  15           HB2      LEU  15  11.245  -5.416  12.118
  112    HB3  LEU  15           HB1      LEU  15  11.663  -5.894  10.487
  113    HG   LEU  15           HG       LEU  15  14.064  -5.764  11.101
  114   HD11  LEU  15          HD11      LEU  15  14.674  -5.671  13.465
  115   HD12  LEU  15          HD12      LEU  15  12.994  -5.334  13.886
  116   HD13  LEU  15          HD13      LEU  15  13.915  -4.174  12.928
  117   HD21  LEU  15          HD21      LEU  15  12.874  -7.883  11.140
  118   HD22  LEU  15          HD22      LEU  15  12.363  -7.581  12.800
  119   HD23  LEU  15          HD23      LEU  15  14.071  -7.814  12.432
  120    H    LYS  16           HN       LYS  16  12.104  -4.523   8.503
  121    HA   LYS  16           HA       LYS  16  14.844  -4.449   7.944
  122    HB2  LYS  16           HB2      LYS  16  12.491  -4.132   6.074
  123    HB3  LYS  16           HB1      LYS  16  14.144  -4.419   5.561
  124    HG2  LYS  16           HG2      LYS  16  14.165  -6.593   6.418
  125    HG3  LYS  16           HG1      LYS  16  12.746  -6.302   7.426
  126    HD2  LYS  16           HD2      LYS  16  12.201  -7.687   5.479
  127    HD3  LYS  16           HD1      LYS  16  11.349  -6.145   5.434
  128    HE2  LYS  16           HE2      LYS  16  13.099  -5.290   3.896
  129    HE3  LYS  16           HE1      LYS  16  13.819  -6.900   3.879
  130    HZ1  LYS  16           HZ1      LYS  16  12.334  -6.457   1.982
  131    HZ2  LYS  16           HZ2      LYS  16  11.033  -6.302   3.048
  132    HZ3  LYS  16           HZ3      LYS  16  11.841  -7.786   2.906
  133    H    ASN  17           HN       ASN  17  12.370  -1.991   7.548
  134    HA   ASN  17           HA       ASN  17  14.114  -0.126   6.224
  135    HB2  ASN  17           HB2      ASN  17  11.675  -0.046   5.846
  136    HB3  ASN  17           HB1      ASN  17  11.423   0.376   7.539
  137   HD21  ASN  17          HD21      ASN  17  12.451   1.484   4.433
  138   HD22  ASN  17          HD22      ASN  17  12.522   3.166   4.835
  139    H    GLU  18           HN       GLU  18  12.725  -0.318   9.485
  140    HA   GLU  18           HA       GLU  18  13.894   2.014  10.486
  141    HB2  GLU  18           HB2      GLU  18  12.012   0.796  11.534
  142    HB3  GLU  18           HB1      GLU  18  13.134  -0.460  12.032
  143    HG2  GLU  18           HG2      GLU  18  14.350   1.179  13.385
  144    HG3  GLU  18           HG1      GLU  18  13.192   2.418  12.902
  145    H    ARG  19           HN       ARG  19  15.087  -1.354  10.550
  146    HA   ARG  19           HA       ARG  19  17.322  -0.792  12.163
  147    HB2  ARG  19           HB2      ARG  19  18.236  -2.915  11.499
  148    HB3  ARG  19           HB1      ARG  19  16.504  -3.100  11.706
  149    HG2  ARG  19           HG2      ARG  19  16.215  -2.997   9.272
  150    HG3  ARG  19           HG1      ARG  19  17.964  -2.840   9.087
  151    HD2  ARG  19           HD2      ARG  19  18.278  -5.010  10.160
  152    HD3  ARG  19           HD1      ARG  19  16.536  -5.163  10.371
  153    HE   ARG  19           HE       ARG  19  17.262  -4.753   7.638
  154   HH11  ARG  19          HH11      ARG  19  17.078  -7.192  10.159
  155   HH12  ARG  19          HH12      ARG  19  16.872  -8.506   9.054
  156   HH21  ARG  19          HH21      ARG  19  16.977  -6.514   6.164
  157   HH22  ARG  19          HH22      ARG  19  16.808  -8.119   6.788
  158    H    HIS  20           HN       HIS  20  16.810  -0.452   8.702
  159    HA   HIS  20           HA       HIS  20  19.561   0.074   8.101
  160    HB2  HIS  20           HB2      HIS  20  17.874  -0.595   6.347
  161    HB3  HIS  20           HB1      HIS  20  17.147   1.002   6.506
  162    HD1  HIS  20           HD1      HIS  20  18.157   2.846   5.109
  163    HD2  HIS  20           HD2      HIS  20  20.599  -0.515   5.325
  164    HE1  HIS  20           HE1      HIS  20  20.019   3.265   3.490
  165    H    GLU  21           HN       GLU  21  16.835   1.981   9.107
  166    HA   GLU  21           HA       GLU  21  17.993   4.549   8.655
  167    HB2  GLU  21           HB2      GLU  21  15.572   4.334   8.909
  168    HB3  GLU  21           HB1      GLU  21  15.771   3.720  10.548
  169    HG2  GLU  21           HG2      GLU  21  16.777   5.882  11.184
  170    HG3  GLU  21           HG1      GLU  21  16.431   6.475   9.563
  171    H    GLU  22           HN       GLU  22  17.837   2.398  11.441
  172    HA   GLU  22           HA       GLU  22  19.118   4.230  13.223
  173    HB2  GLU  22           HB2      GLU  22  18.725   1.231  13.453
  174    HB3  GLU  22           HB1      GLU  22  19.309   2.272  14.742
  175    HG2  GLU  22           HG2      GLU  22  17.195   3.480  14.754
  176    HG3  GLU  22           HG1      GLU  22  16.587   2.477  13.444
  177    H    ALA  23           HN       ALA  23  20.161   1.835  10.957
  178    HA   ALA  23           HA       ALA  23  22.888   1.774  11.915
  179    HB1  ALA  23           HB1      ALA  23  23.326   0.319  10.018
  180    HB2  ALA  23           HB2      ALA  23  21.740   0.663   9.341
  181    HB3  ALA  23           HB3      ALA  23  21.880  -0.228  10.859
  182    H    GLU  24           HN       GLU  24  20.980   3.723  10.026
  183    HA   GLU  24           HA       GLU  24  23.009   4.669   8.191
  184    HB2  GLU  24           HB2      GLU  24  20.590   4.720   7.582
  185    HB3  GLU  24           HB1      GLU  24  20.317   5.915   8.841
  186    HG2  GLU  24           HG2      GLU  24  21.695   7.507   7.690
  187    HG3  GLU  24           HG1      GLU  24  22.132   6.302   6.479
  188    H    LEU  25           HN       LEU  25  21.385   5.890  11.089
  189    HA   LEU  25           HA       LEU  25  22.874   8.232  11.415
  190    HB2  LEU  25           HB2      LEU  25  20.838   7.686  12.699
  191    HB3  LEU  25           HB1      LEU  25  21.717   6.435  13.553
  192    HG   LEU  25           HG       LEU  25  23.182   8.165  14.541
  193   HD11  LEU  25          HD11      LEU  25  23.022   9.851  12.804
  194   HD12  LEU  25          HD12      LEU  25  22.543  10.521  14.362
  195   HD13  LEU  25          HD13      LEU  25  21.315  10.093  13.170
  196   HD21  LEU  25          HD21      LEU  25  21.226   7.384  15.763
  197   HD22  LEU  25          HD22      LEU  25  20.226   8.598  14.965
  198   HD23  LEU  25          HD23      LEU  25  21.507   9.098  16.069
  199    H    GLU  26           HN       GLU  26  23.489   4.965  12.373
  200    HA   GLU  26           HA       GLU  26  25.857   5.349  13.866
  201    HB2  GLU  26           HB2      GLU  26  24.985   2.973  12.227
  202    HB3  GLU  26           HB1      GLU  26  26.458   2.975  13.186
  203    HG2  GLU  26           HG2      GLU  26  23.631   3.228  14.167
  204    HG3  GLU  26           HG1      GLU  26  24.773   1.919  14.470
  205    H    ARG  27           HN       ARG  27  25.355   5.023  10.425
  206    HA   ARG  27           HA       ARG  27  28.117   5.075   9.697
  207    HB2  ARG  27           HB2      ARG  27  25.614   5.659   8.101
  208    HB3  ARG  27           HB1      ARG  27  27.228   5.652   7.420
  209    HG2  ARG  27           HG2      ARG  27  27.492   3.350   7.773
  210    HG3  ARG  27           HG1      ARG  27  26.083   3.274   8.835
  211    HD2  ARG  27           HD2      ARG  27  24.588   3.577   7.053
  212    HD3  ARG  27           HD1      ARG  27  25.861   4.139   5.973
  213    HE   ARG  27           HE       ARG  27  26.310   1.977   5.433
  214   HH11  ARG  27          HH11      ARG  27  24.545   1.916   8.480
  215   HH12  ARG  27          HH12      ARG  27  24.292   0.204   8.414
  216   HH21  ARG  27          HH21      ARG  27  25.931  -0.244   5.362
  217   HH22  ARG  27          HH22      ARG  27  25.053  -1.017   6.637
  218    H    LEU  28           HN       LEU  28  25.672   7.468  10.283
  219    HA   LEU  28           HA       LEU  28  27.073   9.680   9.150
  220    HB2  LEU  28           HB2      LEU  28  24.643   9.768   9.541
  221    HB3  LEU  28           HB1      LEU  28  24.910   9.670  11.272
  222    HG   LEU  28           HG       LEU  28  26.093  11.855  11.164
  223   HD11  LEU  28          HD11      LEU  28  25.093  11.870   8.321
  224   HD12  LEU  28          HD12      LEU  28  26.778  11.820   8.837
  225   HD13  LEU  28          HD13      LEU  28  25.797  13.246   9.171
  226   HD21  LEU  28          HD21      LEU  28  23.759  11.728  11.828
  227   HD22  LEU  28          HD22      LEU  28  23.257  11.814  10.140
  228   HD23  LEU  28          HD23      LEU  28  24.057  13.193  10.893
  229    H    LYS  29           HN       LYS  29  26.928   8.246  12.358
  230    HA   LYS  29           HA       LYS  29  28.350  10.229  13.748
  231    HB2  LYS  29           HB2      LYS  29  28.139   7.257  14.280
  232    HB3  LYS  29           HB1      LYS  29  28.865   8.410  15.387
  233    HG2  LYS  29           HG2      LYS  29  26.731   9.588  15.568
  234    HG3  LYS  29           HG1      LYS  29  26.000   8.423  14.463
  235    HD2  LYS  29           HD2      LYS  29  26.380   6.630  16.023
  236    HD3  LYS  29           HD1      LYS  29  27.288   7.698  17.092
  237    HE2  LYS  29           HE2      LYS  29  24.370   8.007  16.387
  238    HE3  LYS  29           HE1      LYS  29  24.986   7.300  17.880
  239    HZ1  LYS  29           HZ1      LYS  29  25.999   9.401  18.438
  240    HZ2  LYS  29           HZ2      LYS  29  24.353   9.632  18.146
  241    HZ3  LYS  29           HZ3      LYS  29  25.487  10.089  16.986
  242    H    SER  30           HN       SER  30  29.571   7.111  12.463
  243    HA   SER  30           HA       SER  30  32.248   7.586  12.981
  244    HB2  SER  30           HB2      SER  30  32.578   5.890  11.074
  245    HB3  SER  30           HB1      SER  30  31.629   5.378  12.470
  246    HG   SER  30           HG       SER  30  30.046   5.043  11.152
  247    H    GLU  31           HN       GLU  31  30.338   8.343  10.104
  248    HA   GLU  31           HA       GLU  31  32.424   9.273   8.490
  249    HB2  GLU  31           HB2      GLU  31  30.172   8.822   7.639
  250    HB3  GLU  31           HB1      GLU  31  29.550  10.193   8.548
  251    HG2  GLU  31           HG2      GLU  31  31.108  11.647   7.228
  252    HG3  GLU  31           HG1      GLU  31  31.451  10.242   6.221
  253    H    ARG  32           HN       ARG  32  30.137  11.167  10.454
  254    HA   ARG  32           HA       ARG  32  31.149  13.673  10.005
  255    HB2  ARG  32           HB2      ARG  32  29.059  13.317  11.143
  256    HB3  ARG  32           HB1      ARG  32  29.878  12.575  12.506
  257    HG2  ARG  32           HG2      ARG  32  30.744  14.624  13.240
  258    HG3  ARG  32           HG1      ARG  32  30.400  15.417  11.704
  259    HD2  ARG  32           HD2      ARG  32  28.312  14.353  13.601
  260    HD3  ARG  32           HD1      ARG  32  28.815  16.040  13.500
  261    HE   ARG  32           HE       ARG  32  28.109  15.619  10.989
  262   HH11  ARG  32          HH11      ARG  32  26.443  14.654  13.926
  263   HH12  ARG  32          HH12      ARG  32  24.872  14.742  13.219
  264   HH21  ARG  32          HH21      ARG  32  26.030  15.725  10.041
  265   HH22  ARG  32          HH22      ARG  32  24.632  15.346  10.984
  266    H    HIS  33           HN       HIS  33  32.423  11.266  12.223
  267    HA   HIS  33           HA       HIS  33  34.231  13.156  13.445
  268    HB2  HIS  33           HB2      HIS  33  33.350  11.315  14.782
  269    HB3  HIS  33           HB1      HIS  33  34.090  10.146  13.695
  270    HD1  HIS  33           HD1      HIS  33  36.295   9.297  14.443
  271    HD2  HIS  33           HD2      HIS  33  35.459  13.029  16.065
  272    HE1  HIS  33           HE1      HIS  33  38.211   9.803  15.979
  273    H    ASP  34           HN       ASP  34  34.599  10.363  11.261
  274    HA   ASP  34           HA       ASP  34  37.448  10.834  11.032
  275    HB2  ASP  34           HB2      ASP  34  36.544   8.529  10.994
  276    HB3  ASP  34           HB1      ASP  34  35.719   8.886   9.481
  277    H    HIS  35           HN       HIS  35  34.742  12.080   9.509
  278    HA   HIS  35           HA       HIS  35  35.509  12.421   6.833
  279    HB2  HIS  35           HB2      HIS  35  33.238  12.984   7.791
  280    HB3  HIS  35           HB1      HIS  35  33.945  14.448   8.464
  281    HD2  HIS  35           HD2      HIS  35  34.302  16.529   6.623
  282    HE1  HIS  35           HE1      HIS  35  32.477  14.520   3.367
  283    HE2  HIS  35           HE2      HIS  35  33.514  16.662   4.163
  284    H    ASP  36           HN       ASP  36  36.735  13.918   9.658
  285    HA   ASP  36           HA       ASP  36  37.842  16.249   8.466
  286    HB2  ASP  36           HB2      ASP  36  38.556  14.807  11.032
  287    HB3  ASP  36           HB1      ASP  36  39.310  16.307  10.518
  288    H    LYS  37           HN       LYS  37  38.676  12.989   8.255
  289    HA   LYS  37           HA       LYS  37  41.321  13.705   7.201
  290    HB2  LYS  37           HB2      LYS  37  41.557  12.535   9.362
  291    HB3  LYS  37           HB1      LYS  37  40.621  11.188   8.739
  292    HG2  LYS  37           HG2      LYS  37  42.361  10.783   7.050
  293    HG3  LYS  37           HG1      LYS  37  43.302  12.111   7.730
  294    HD2  LYS  37           HD2      LYS  37  43.382  10.931   9.885
  295    HD3  LYS  37           HD1      LYS  37  42.480   9.592   9.173
  296    HE2  LYS  37           HE2      LYS  37  44.834   9.051   9.200
  297    HE3  LYS  37           HE1      LYS  37  44.301   9.278   7.537
  298    HZ1  LYS  37           HZ1      LYS  37  45.743  11.290   9.173
  299    HZ2  LYS  37           HZ2      LYS  37  45.259  11.497   7.569
  300    HZ3  LYS  37           HZ3      LYS  37  46.429  10.347   7.952
  301    H    LYS  38           HN       LYS  38  38.720  11.294   7.183
  302    HA   LYS  38           HA       LYS  38  39.112  11.022   4.296
  303    HB2  LYS  38           HB2      LYS  38  38.686   8.768   6.265
  304    HB3  LYS  38           HB1      LYS  38  38.566   8.592   4.519
  305    HG2  LYS  38           HG2      LYS  38  40.914   9.292   4.317
  306    HG3  LYS  38           HG1      LYS  38  41.016   9.385   6.072
  307    HD2  LYS  38           HD2      LYS  38  40.568   7.018   6.260
  308    HD3  LYS  38           HD1      LYS  38  40.319   6.901   4.517
  309    HE2  LYS  38           HE2      LYS  38  42.893   7.732   5.847
  310    HE3  LYS  38           HE1      LYS  38  42.553   6.119   5.222
  311    HZ1  LYS  38           HZ1      LYS  38  43.825   7.478   3.655
  312    HZ2  LYS  38           HZ2      LYS  38  42.567   8.602   3.584
  313    HZ3  LYS  38           HZ3      LYS  38  42.326   7.025   3.018
  314    H    GLU  39           HN       GLU  39  37.373  11.774   3.427
  315    HA   GLU  39           HA       GLU  39  34.946  12.236   4.680
  316    HB2  GLU  39           HB2      GLU  39  33.986  12.683   2.479
  317    HB3  GLU  39           HB1      GLU  39  35.578  13.402   2.628
  318    HG2  GLU  39           HG2      GLU  39  36.533  11.630   1.253
  319    HG3  GLU  39           HG1      GLU  39  34.965  10.827   1.185
  320    H    ALA  40           HN       ALA  40  35.726   9.490   2.504
  321    HA   ALA  40           HA       ALA  40  33.622   7.949   3.812
  322    HB1  ALA  40           HB1      ALA  40  32.462   9.136   2.011
  323    HB2  ALA  40           HB2      ALA  40  32.480   7.393   1.744
  324    HB3  ALA  40           HB3      ALA  40  33.577   8.435   0.838
  325    H    GLU  41           HN       GLU  41  36.567   7.714   3.587
  326    HA   GLU  41           HA       GLU  41  36.702   5.210   2.117
  327    HB2  GLU  41           HB2      GLU  41  38.310   6.897   1.284
  328    HB3  GLU  41           HB1      GLU  41  39.032   6.982   2.887
  329    HG2  GLU  41           HG2      GLU  41  39.609   4.591   2.729
  330    HG3  GLU  41           HG1      GLU  41  38.943   4.557   1.100
  331    H    ARG  42           HN       ARG  42  35.666   4.341   3.915
  332    HA   ARG  42           HA       ARG  42  37.552   3.482   5.891
  333    HB2  ARG  42           HB2      ARG  42  34.723   4.412   6.319
  334    HB3  ARG  42           HB1      ARG  42  35.478   3.261   7.416
  335    HG2  ARG  42           HG2      ARG  42  37.179   4.837   8.004
  336    HG3  ARG  42           HG1      ARG  42  36.626   5.965   6.766
  337    HD2  ARG  42           HD2      ARG  42  35.039   5.079   9.174
  338    HD3  ARG  42           HD1      ARG  42  35.880   6.620   9.009
  339    HE   ARG  42           HE       ARG  42  33.354   5.885   7.875
  340   HH11  ARG  42          HH11      ARG  42  36.158   7.972   7.558
  341   HH12  ARG  42          HH12      ARG  42  35.339   9.169   6.617
  342   HH21  ARG  42          HH21      ARG  42  32.242   7.496   6.600
  343   HH22  ARG  42          HH22      ARG  42  33.104   8.896   6.060
  344    H    LYS  43           HN       LYS  43  37.728   1.589   5.836
  345    HA   LYS  43           HA       LYS  43  36.483  -0.192   4.026
  346    HB2  LYS  43           HB2      LYS  43  38.251  -0.934   6.346
  347    HB3  LYS  43           HB1      LYS  43  37.983  -1.852   4.871
  348    HG2  LYS  43           HG2      LYS  43  39.227  -0.347   3.574
  349    HG3  LYS  43           HG1      LYS  43  39.189   0.894   4.829
  350    HD2  LYS  43           HD2      LYS  43  40.543  -0.614   6.269
  351    HD3  LYS  43           HD1      LYS  43  40.675  -1.727   4.907
  352    HE2  LYS  43           HE2      LYS  43  41.801  -0.029   3.593
  353    HE3  LYS  43           HE1      LYS  43  41.593   1.145   4.892
  354    HZ1  LYS  43           HZ1      LYS  43  43.186  -1.352   5.053
  355    HZ2  LYS  43           HZ2      LYS  43  42.982  -0.234   6.307
  356    HZ3  LYS  43           HZ3      LYS  43  43.812   0.213   4.906
  357    H    ALA  44           HN       ALA  44  35.618   0.796   7.119
  358    HA   ALA  44           HA       ALA  44  34.532  -1.612   8.166
  359    HB1  ALA  44           HB1      ALA  44  33.700   1.223   8.825
  360    HB2  ALA  44           HB2      ALA  44  35.017   0.338   9.603
  361    HB3  ALA  44           HB3      ALA  44  33.359  -0.221   9.775
  362    H    LEU  45           HN       LEU  45  33.148   1.012   6.220
  363    HA   LEU  45           HA       LEU  45  30.568  -0.322   6.155
  364    HB2  LEU  45           HB2      LEU  45  31.488   2.226   4.822
  365    HB3  LEU  45           HB1      LEU  45  29.842   1.632   4.867
  366    HG   LEU  45           HG       LEU  45  31.456   2.536   7.248
  367   HD11  LEU  45          HD11      LEU  45  30.766   4.379   5.821
  368   HD12  LEU  45          HD12      LEU  45  29.858   4.383   7.333
  369   HD13  LEU  45          HD13      LEU  45  29.101   3.796   5.852
  370   HD21  LEU  45          HD21      LEU  45  29.943   0.747   7.874
  371   HD22  LEU  45          HD22      LEU  45  28.608   1.562   7.059
  372   HD23  LEU  45          HD23      LEU  45  29.346   2.289   8.487
  373    H    GLU  46           HN       GLU  46  33.423  -0.070   4.273
  374    HA   GLU  46           HA       GLU  46  32.208  -0.784   1.764
  375    HB2  GLU  46           HB2      GLU  46  34.306   0.513   1.827
  376    HB3  GLU  46           HB1      GLU  46  35.122  -0.842   2.597
  377    HG2  GLU  46           HG2      GLU  46  34.663  -2.199   0.590
  378    HG3  GLU  46           HG1      GLU  46  33.982  -0.766  -0.179
  379    H    ASP  47           HN       ASP  47  33.836  -2.460   4.375
  380    HA   ASP  47           HA       ASP  47  33.854  -4.985   2.949
  381    HB2  ASP  47           HB2      ASP  47  35.713  -4.501   4.468
  382    HB3  ASP  47           HB1      ASP  47  34.594  -4.342   5.819
  383    H    LYS  48           HN       LYS  48  31.886  -3.306   5.224
  384    HA   LYS  48           HA       LYS  48  30.225  -5.697   5.526
  385    HB2  LYS  48           HB2      LYS  48  31.278  -4.976   7.612
  386    HB3  LYS  48           HB1      LYS  48  30.533  -3.395   7.451
  387    HG2  LYS  48           HG2      LYS  48  28.354  -4.308   7.745
  388    HG3  LYS  48           HG1      LYS  48  28.980  -5.956   7.663
  389    HD2  LYS  48           HD2      LYS  48  29.766  -3.958   9.780
  390    HD3  LYS  48           HD1      LYS  48  28.476  -5.148   9.974
  391    HE2  LYS  48           HE2      LYS  48  31.378  -5.769   9.412
  392    HE3  LYS  48           HE1      LYS  48  30.578  -5.914  10.974
  393    HZ1  LYS  48           HZ1      LYS  48  30.731  -8.047   9.845
  394    HZ2  LYS  48           HZ2      LYS  48  29.857  -7.448   8.533
  395    HZ3  LYS  48           HZ3      LYS  48  29.119  -7.587  10.047
  396    H    LEU  49           HN       LEU  49  28.830  -5.147   3.636
  397    HA   LEU  49           HA       LEU  49  27.876  -2.569   3.113
  398    HB2  LEU  49           HB2      LEU  49  27.943  -4.546   1.501
  399    HB3  LEU  49           HB1      LEU  49  26.503  -5.145   2.296
  400    HG   LEU  49           HG       LEU  49  26.156  -3.970   0.099
  401   HD11  LEU  49          HD11      LEU  49  24.723  -2.805   2.476
  402   HD12  LEU  49          HD12      LEU  49  24.305  -4.293   1.627
  403   HD13  LEU  49          HD13      LEU  49  24.169  -2.741   0.803
  404   HD21  LEU  49          HD21      LEU  49  27.791  -2.180   0.408
  405   HD22  LEU  49          HD22      LEU  49  26.806  -1.504   1.707
  406   HD23  LEU  49          HD23      LEU  49  26.187  -1.540   0.058
  407    H    ALA  50           HN       ALA  50  26.360  -5.241   4.916
  408    HA   ALA  50           HA       ALA  50  23.899  -3.881   5.323
  409    HB1  ALA  50           HB1      ALA  50  24.158  -6.342   5.522
  410    HB2  ALA  50           HB2      ALA  50  23.346  -5.603   6.900
  411    HB3  ALA  50           HB3      ALA  50  25.033  -6.089   7.033
  412    H    ASP  51           HN       ASP  51  26.397  -4.660   7.747
  413    HA   ASP  51           HA       ASP  51  27.156  -3.588   9.581
  414    HB2  ASP  51           HB2      ASP  51  27.966  -1.901   8.031
  415    HB3  ASP  51           HB1      ASP  51  26.396  -1.105   8.027
  416    H    TYR  52           HN       TYR  52  25.686  -4.410  11.012
  417    HA   TYR  52           HA       TYR  52  24.074  -2.494  12.346
  418    HB2  TYR  52           HB2      TYR  52  22.497  -3.063  10.550
  419    HB3  TYR  52           HB1      TYR  52  22.660  -4.772  10.929
  420    HD1  TYR  52           HD1      TYR  52  21.791  -1.573  12.669
  421    HD2  TYR  52           HD2      TYR  52  20.982  -5.722  12.196
  422    HE1  TYR  52           HE1      TYR  52  19.924  -1.387  14.257
  423    HE2  TYR  52           HE2      TYR  52  19.116  -5.546  13.785
  424    HH   TYR  52           HH       TYR  52  18.323  -4.161  15.539
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -2.199 -18.030  14.903
    2    H2   GLY   1           HT2      GLY   1  -1.539 -16.721  14.066
    3    H3   GLY   1           HT3      GLY   1  -1.789 -18.186  13.268
    4    HA2  GLY   1           HA1      GLY   1  -4.177 -17.953  13.571
    5    HA3  GLY   1           HA2      GLY   1  -3.884 -16.399  14.338
    6    H    SER   2           HN       SER   2  -5.515 -16.590  12.159
    7    HA   SER   2           HA       SER   2  -4.220 -16.189   9.680
    8    HB2  SER   2           HB2      SER   2  -6.993 -15.370  10.554
    9    HB3  SER   2           HB1      SER   2  -6.422 -15.467   8.888
   10    HG   SER   2           HG       SER   2  -6.731 -17.582  10.751
   11    H    VAL   3           HN       VAL   3  -4.766 -14.138  12.366
   12    HA   VAL   3           HA       VAL   3  -4.803 -11.631  11.146
   13    HB   VAL   3           HB       VAL   3  -5.290 -11.924  13.522
   14   HG11  VAL   3          HG11      VAL   3  -3.519 -12.323  15.160
   15   HG12  VAL   3          HG12      VAL   3  -2.360 -12.546  13.850
   16   HG13  VAL   3          HG13      VAL   3  -3.698 -13.679  14.047
   17   HG21  VAL   3          HG21      VAL   3  -3.992 -10.036  14.432
   18   HG22  VAL   3          HG22      VAL   3  -4.603  -9.711  12.811
   19   HG23  VAL   3          HG23      VAL   3  -2.907 -10.134  13.044
   20    H    GLU   4           HN       GLU   4  -2.179 -13.864  11.722
   21    HA   GLU   4           HA       GLU   4  -0.070 -12.000  11.221
   22    HB2  GLU   4           HB2      GLU   4  -0.086 -15.026  11.176
   23    HB3  GLU   4           HB1      GLU   4   1.352 -14.023  11.065
   24    HG2  GLU   4           HG2      GLU   4  -0.543 -13.918  13.387
   25    HG3  GLU   4           HG1      GLU   4   0.866 -14.976  13.325
   26    H    LYS   5           HN       LYS   5  -2.228 -13.783   9.235
   27    HA   LYS   5           HA       LYS   5  -0.559 -13.814   6.908
   28    HB2  LYS   5           HB2      LYS   5  -2.268 -15.492   7.116
   29    HB3  LYS   5           HB1      LYS   5  -3.511 -14.274   7.346
   30    HG2  LYS   5           HG2      LYS   5  -3.053 -13.488   5.019
   31    HG3  LYS   5           HG1      LYS   5  -1.993 -14.887   4.824
   32    HD2  LYS   5           HD2      LYS   5  -3.830 -16.393   5.231
   33    HD3  LYS   5           HD1      LYS   5  -4.901 -15.040   5.604
   34    HE2  LYS   5           HE2      LYS   5  -4.619 -14.217   3.302
   35    HE3  LYS   5           HE1      LYS   5  -3.600 -15.613   2.947
   36    HZ1  LYS   5           HZ1      LYS   5  -6.443 -15.724   3.782
   37    HZ2  LYS   5           HZ2      LYS   5  -5.472 -17.053   3.424
   38    HZ3  LYS   5           HZ3      LYS   5  -5.876 -15.951   2.211
   39    H    LEU   6           HN       LEU   6  -3.333 -11.919   8.023
   40    HA   LEU   6           HA       LEU   6  -3.138 -10.131   5.781
   41    HB2  LEU   6           HB2      LEU   6  -4.988  -8.883   6.995
   42    HB3  LEU   6           HB1      LEU   6  -5.339 -10.505   6.442
   43    HG   LEU   6           HG       LEU   6  -4.785 -11.224   8.866
   44   HD11  LEU   6          HD11      LEU   6  -5.259  -9.519  10.552
   45   HD12  LEU   6          HD12      LEU   6  -5.305  -8.291   9.286
   46   HD13  LEU   6          HD13      LEU   6  -3.805  -9.153   9.625
   47   HD21  LEU   6          HD21      LEU   6  -7.264  -9.628   8.240
   48   HD22  LEU   6          HD22      LEU   6  -7.089 -10.785   9.561
   49   HD23  LEU   6          HD23      LEU   6  -7.004 -11.337   7.889
   50    H    THR   7           HN       THR   7  -1.269 -10.372   8.422
   51    HA   THR   7           HA       THR   7  -0.417  -7.660   8.136
   52    HB   THR   7           HB       THR   7  -1.026  -8.846  10.859
   53    HG1  THR   7           HG1      THR   7  -2.518  -7.449   9.108
   54   HG21  THR   7          HG21      THR   7  -0.357  -6.636  11.705
   55   HG22  THR   7          HG22      THR   7   0.061  -6.134  10.067
   56   HG23  THR   7          HG23      THR   7   0.976  -7.418  10.856
   57    H    ALA   8           HN       ALA   8   1.555  -8.505   7.269
   58    HA   ALA   8           HA       ALA   8   3.439  -9.610   9.140
   59    HB1  ALA   8           HB1      ALA   8   4.052 -11.506   7.677
   60    HB2  ALA   8           HB2      ALA   8   2.659 -11.142   6.656
   61    HB3  ALA   8           HB3      ALA   8   2.421 -11.652   8.327
   62    H    ASP   9           HN       ASP   9   2.719  -8.761   5.789
   63    HA   ASP   9           HA       ASP   9   5.359  -8.295   4.959
   64    HB2  ASP   9           HB2      ASP   9   2.786  -7.037   3.950
   65    HB3  ASP   9           HB1      ASP   9   4.335  -6.999   3.117
   66    H    ALA  10           HN       ALA  10   2.907  -6.185   6.284
   67    HA   ALA  10           HA       ALA  10   4.521  -3.841   6.361
   68    HB1  ALA  10           HB1      ALA  10   2.059  -3.724   6.460
   69    HB2  ALA  10           HB2      ALA  10   2.816  -2.869   7.801
   70    HB3  ALA  10           HB3      ALA  10   2.096  -4.453   8.069
   71    H    GLU  11           HN       GLU  11   4.258  -6.565   8.461
   72    HA   GLU  11           HA       GLU  11   5.365  -5.304  10.794
   73    HB2  GLU  11           HB2      GLU  11   3.949  -7.360  10.924
   74    HB3  GLU  11           HB1      GLU  11   5.219  -8.274  10.131
   75    HG2  GLU  11           HG2      GLU  11   6.709  -7.620  12.054
   76    HG3  GLU  11           HG1      GLU  11   5.252  -7.026  12.852
   77    H    LEU  12           HN       LEU  12   6.610  -7.497   8.326
   78    HA   LEU  12           HA       LEU  12   9.307  -7.407   9.213
   79    HB2  LEU  12           HB2      LEU  12   9.873  -8.524   7.105
   80    HB3  LEU  12           HB1      LEU  12   8.504  -9.284   7.878
   81    HG   LEU  12           HG       LEU  12   7.092  -7.826   6.176
   82   HD11  LEU  12          HD11      LEU  12   8.182  -7.475   4.067
   83   HD12  LEU  12          HD12      LEU  12   9.731  -7.955   4.766
   84   HD13  LEU  12          HD13      LEU  12   8.912  -6.498   5.340
   85   HD21  LEU  12          HD21      LEU  12   8.664 -10.256   5.352
   86   HD22  LEU  12          HD22      LEU  12   7.231  -9.633   4.535
   87   HD23  LEU  12          HD23      LEU  12   7.108 -10.238   6.185
   88    H    GLN  13           HN       GLN  13   7.385  -5.382   7.240
   89    HA   GLN  13           HA       GLN  13   9.321  -4.082   5.690
   90    HB2  GLN  13           HB2      GLN  13   6.888  -3.839   5.305
   91    HB3  GLN  13           HB1      GLN  13   6.758  -2.901   6.788
   92    HG2  GLN  13           HG2      GLN  13   8.296  -1.235   5.790
   93    HG3  GLN  13           HG1      GLN  13   8.234  -2.149   4.282
   94   HE21  GLN  13          HE21      GLN  13   6.306  -2.205   3.118
   95   HE22  GLN  13          HE22      GLN  13   5.053  -1.042   3.377
   96    H    ARG  14           HN       ARG  14   7.867  -2.931   8.791
   97    HA   ARG  14           HA       ARG  14   9.674  -0.762   8.945
   98    HB2  ARG  14           HB2      ARG  14   7.535  -0.577  10.067
   99    HB3  ARG  14           HB1      ARG  14   7.890  -1.980  11.070
  100    HG2  ARG  14           HG2      ARG  14   9.745  -0.752  12.101
  101    HG3  ARG  14           HG1      ARG  14   9.332   0.658  11.129
  102    HD2  ARG  14           HD2      ARG  14   7.239   0.897  12.226
  103    HD3  ARG  14           HD1      ARG  14   7.410  -0.668  13.024
  104    HE   ARG  14           HE       ARG  14   9.587   0.728  13.864
  105   HH11  ARG  14          HH11      ARG  14   6.152   1.452  13.893
  106   HH12  ARG  14          HH12      ARG  14   6.231   2.339  15.373
  107   HH21  ARG  14          HH21      ARG  14   9.698   1.888  15.779
  108   HH22  ARG  14          HH22      ARG  14   8.271   2.597  16.466
  109    H    LEU  15           HN       LEU  15   9.916  -4.112   9.939
  110    HA   LEU  15           HA       LEU  15  11.775  -3.692  12.040
  111    HB2  LEU  15           HB2      LEU  15  10.427  -5.748  11.791
  112    HB3  LEU  15           HB1      LEU  15  11.288  -6.128  10.315
  113    HG   LEU  15           HG       LEU  15  13.384  -6.342  11.622
  114   HD11  LEU  15          HD11      LEU  15  12.838  -4.881  13.481
  115   HD12  LEU  15          HD12      LEU  15  13.248  -6.493  14.064
  116   HD13  LEU  15          HD13      LEU  15  11.561  -5.982  13.997
  117   HD21  LEU  15          HD21      LEU  15  12.798  -8.470  12.687
  118   HD22  LEU  15          HD22      LEU  15  12.057  -8.312  11.095
  119   HD23  LEU  15          HD23      LEU  15  11.088  -8.066  12.548
  120    H    LYS  16           HN       LYS  16  11.989  -4.198   8.599
  121    HA   LYS  16           HA       LYS  16  14.876  -4.406   8.620
  122    HB2  LYS  16           HB2      LYS  16  13.539  -5.674   6.969
  123    HB3  LYS  16           HB1      LYS  16  12.967  -4.161   6.279
  124    HG2  LYS  16           HG2      LYS  16  15.280  -3.592   5.676
  125    HG3  LYS  16           HG1      LYS  16  15.802  -5.157   6.307
  126    HD2  LYS  16           HD2      LYS  16  14.347  -6.284   4.690
  127    HD3  LYS  16           HD1      LYS  16  13.841  -4.719   4.057
  128    HE2  LYS  16           HE2      LYS  16  15.544  -5.679   2.632
  129    HE3  LYS  16           HE1      LYS  16  16.165  -4.237   3.435
  130    HZ1  LYS  16           HZ1      LYS  16  16.696  -7.039   4.259
  131    HZ2  LYS  16           HZ2      LYS  16  17.295  -5.656   5.028
  132    HZ3  LYS  16           HZ3      LYS  16  17.781  -6.025   3.452
  133    H    ASN  17           HN       ASN  17  12.435  -2.026   7.671
  134    HA   ASN  17           HA       ASN  17  14.294  -0.186   6.551
  135    HB2  ASN  17           HB2      ASN  17  11.449   0.212   7.492
  136    HB3  ASN  17           HB1      ASN  17  12.410   1.486   6.758
  137   HD21  ASN  17          HD21      ASN  17  13.761  -0.317   4.896
  138   HD22  ASN  17          HD22      ASN  17  12.585  -0.714   3.695
  139    H    GLU  18           HN       GLU  18  12.796  -0.401   9.757
  140    HA   GLU  18           HA       GLU  18  13.893   2.012  10.741
  141    HB2  GLU  18           HB2      GLU  18  11.992   0.825  11.800
  142    HB3  GLU  18           HB1      GLU  18  13.084  -0.460  12.286
  143    HG2  GLU  18           HG2      GLU  18  14.328   1.132  13.665
  144    HG3  GLU  18           HG1      GLU  18  13.204   2.404  13.191
  145    H    ARG  19           HN       ARG  19  14.985  -1.337  10.845
  146    HA   ARG  19           HA       ARG  19  17.264  -0.925  12.462
  147    HB2  ARG  19           HB2      ARG  19  16.274  -3.168  11.913
  148    HB3  ARG  19           HB1      ARG  19  16.963  -3.020  10.299
  149    HG2  ARG  19           HG2      ARG  19  19.203  -2.873  11.332
  150    HG3  ARG  19           HG1      ARG  19  18.455  -3.167  12.904
  151    HD2  ARG  19           HD2      ARG  19  18.540  -4.998  10.521
  152    HD3  ARG  19           HD1      ARG  19  19.266  -5.250  12.105
  153    HE   ARG  19           HE       ARG  19  16.362  -5.004  11.950
  154   HH11  ARG  19          HH11      ARG  19  19.174  -7.045  12.403
  155   HH12  ARG  19          HH12      ARG  19  18.261  -8.380  13.020
  156   HH21  ARG  19          HH21      ARG  19  15.155  -6.792  12.781
  157   HH22  ARG  19          HH22      ARG  19  15.990  -8.237  13.233
  158    H    HIS  20           HN       HIS  20  16.870  -0.997   8.956
  159    HA   HIS  20           HA       HIS  20  19.575  -0.473   8.324
  160    HB2  HIS  20           HB2      HIS  20  18.043  -1.374   6.633
  161    HB3  HIS  20           HB1      HIS  20  17.091   0.109   6.677
  162    HD1  HIS  20           HD1      HIS  20  17.669   1.778   4.957
  163    HD2  HIS  20           HD2      HIS  20  20.810  -0.839   5.694
  164    HE1  HIS  20           HE1      HIS  20  19.453   2.394   3.305
  165    H    GLU  21           HN       GLU  21  16.862   1.630   9.003
  166    HA   GLU  21           HA       GLU  21  18.095   4.042   8.144
  167    HB2  GLU  21           HB2      GLU  21  15.590   3.670   8.622
  168    HB3  GLU  21           HB1      GLU  21  16.000   3.897  10.319
  169    HG2  GLU  21           HG2      GLU  21  15.153   5.937   9.335
  170    HG3  GLU  21           HG1      GLU  21  16.840   6.126   9.817
  171    H    GLU  22           HN       GLU  22  17.995   2.330  11.222
  172    HA   GLU  22           HA       GLU  22  19.289   4.316  12.752
  173    HB2  GLU  22           HB2      GLU  22  18.161   2.344  13.790
  174    HB3  GLU  22           HB1      GLU  22  19.465   1.316  13.200
  175    HG2  GLU  22           HG2      GLU  22  21.033   2.840  14.486
  176    HG3  GLU  22           HG1      GLU  22  19.592   3.493  15.257
  177    H    ALA  23           HN       ALA  23  20.607   1.479  11.010
  178    HA   ALA  23           HA       ALA  23  23.289   1.881  11.614
  179    HB1  ALA  23           HB1      ALA  23  22.457  -0.178  10.560
  180    HB2  ALA  23           HB2      ALA  23  23.802   0.512   9.660
  181    HB3  ALA  23           HB3      ALA  23  22.160   0.711   9.063
  182    H    GLU  24           HN       GLU  24  21.293   3.442   9.220
  183    HA   GLU  24           HA       GLU  24  23.400   4.634   7.734
  184    HB2  GLU  24           HB2      GLU  24  20.777   4.473   7.226
  185    HB3  GLU  24           HB1      GLU  24  20.763   6.053   7.993
  186    HG2  GLU  24           HG2      GLU  24  22.504   5.341   5.654
  187    HG3  GLU  24           HG1      GLU  24  20.896   6.033   5.507
  188    H    LEU  25           HN       LEU  25  21.384   5.884  10.384
  189    HA   LEU  25           HA       LEU  25  22.844   8.297  10.718
  190    HB2  LEU  25           HB2      LEU  25  21.160   6.780  12.710
  191    HB3  LEU  25           HB1      LEU  25  21.731   8.424  12.924
  192    HG   LEU  25           HG       LEU  25  19.832   7.509  10.761
  193   HD11  LEU  25          HD11      LEU  25  18.794   7.442  12.945
  194   HD12  LEU  25          HD12      LEU  25  18.161   8.791  12.001
  195   HD13  LEU  25          HD13      LEU  25  19.342   9.084  13.279
  196   HD21  LEU  25          HD21      LEU  25  19.541   9.909  10.336
  197   HD22  LEU  25          HD22      LEU  25  21.194   9.385  10.034
  198   HD23  LEU  25          HD23      LEU  25  20.805  10.265  11.511
  199    H    GLU  26           HN       GLU  26  23.129   5.138  12.049
  200    HA   GLU  26           HA       GLU  26  25.159   5.470  13.949
  201    HB2  GLU  26           HB2      GLU  26  23.965   3.315  13.415
  202    HB3  GLU  26           HB1      GLU  26  24.993   3.163  11.998
  203    HG2  GLU  26           HG2      GLU  26  25.911   1.788  13.680
  204    HG3  GLU  26           HG1      GLU  26  26.963   3.194  13.536
  205    H    ARG  27           HN       ARG  27  25.350   5.138  10.467
  206    HA   ARG  27           HA       ARG  27  28.192   5.231  10.239
  207    HB2  ARG  27           HB2      ARG  27  26.687   4.329   8.467
  208    HB3  ARG  27           HB1      ARG  27  26.103   5.959   8.166
  209    HG2  ARG  27           HG2      ARG  27  28.329   6.628   7.444
  210    HG3  ARG  27           HG1      ARG  27  28.928   4.998   7.773
  211    HD2  ARG  27           HD2      ARG  27  26.835   5.796   5.754
  212    HD3  ARG  27           HD1      ARG  27  28.459   5.193   5.420
  213    HE   ARG  27           HE       ARG  27  27.546   3.143   6.749
  214   HH11  ARG  27          HH11      ARG  27  25.830   5.049   4.351
  215   HH12  ARG  27          HH12      ARG  27  24.766   3.766   3.900
  216   HH21  ARG  27          HH21      ARG  27  26.137   1.436   6.151
  217   HH22  ARG  27          HH22      ARG  27  24.947   1.692   4.924
  218    H    LEU  28           HN       LEU  28  25.734   7.617  10.607
  219    HA   LEU  28           HA       LEU  28  27.185   9.855   9.587
  220    HB2  LEU  28           HB2      LEU  28  24.695   9.844   9.866
  221    HB3  LEU  28           HB1      LEU  28  24.914   9.847  11.605
  222    HG   LEU  28           HG       LEU  28  26.056  12.091   9.973
  223   HD11  LEU  28          HD11      LEU  28  23.190  11.823  10.860
  224   HD12  LEU  28          HD12      LEU  28  23.768  11.869   9.193
  225   HD13  LEU  28          HD13      LEU  28  23.935  13.288  10.227
  226   HD21  LEU  28          HD21      LEU  28  25.588  13.358  12.013
  227   HD22  LEU  28          HD22      LEU  28  26.589  11.949  12.365
  228   HD23  LEU  28          HD23      LEU  28  24.868  11.925  12.747
  229    H    LYS  29           HN       LYS  29  27.061   8.167  12.617
  230    HA   LYS  29           HA       LYS  29  28.377  10.102  14.208
  231    HB2  LYS  29           HB2      LYS  29  28.434   7.088  14.465
  232    HB3  LYS  29           HB1      LYS  29  28.892   8.236  15.712
  233    HG2  LYS  29           HG2      LYS  29  26.597   9.036  15.837
  234    HG3  LYS  29           HG1      LYS  29  26.130   7.918  14.552
  235    HD2  LYS  29           HD2      LYS  29  26.869   6.037  15.974
  236    HD3  LYS  29           HD1      LYS  29  27.219   7.187  17.264
  237    HE2  LYS  29           HE2      LYS  29  24.885   7.829  17.363
  238    HE3  LYS  29           HE1      LYS  29  24.512   6.771  16.001
  239    HZ1  LYS  29           HZ1      LYS  29  23.929   5.710  18.079
  240    HZ2  LYS  29           HZ2      LYS  29  25.496   5.907  18.668
  241    HZ3  LYS  29           HZ3      LYS  29  25.213   4.874  17.362
  242    H    SER  30           HN       SER  30  29.572   7.224  12.400
  243    HA   SER  30           HA       SER  30  32.238   7.591  12.787
  244    HB2  SER  30           HB2      SER  30  30.890   6.561  10.290
  245    HB3  SER  30           HB1      SER  30  32.518   6.176  10.852
  246    HG   SER  30           HG       SER  30  31.398   5.378  12.813
  247    H    GLU  31           HN       GLU  31  30.100   9.209  10.460
  248    HA   GLU  31           HA       GLU  31  32.084  10.455   8.896
  249    HB2  GLU  31           HB2      GLU  31  29.656  10.431   8.322
  250    HB3  GLU  31           HB1      GLU  31  29.366  11.578   9.625
  251    HG2  GLU  31           HG2      GLU  31  30.901  13.167   8.479
  252    HG3  GLU  31           HG1      GLU  31  30.992  12.033   7.134
  253    H    ARG  32           HN       ARG  32  30.419  11.493  11.807
  254    HA   ARG  32           HA       ARG  32  31.734  13.910  12.260
  255    HB2  ARG  32           HB2      ARG  32  30.512  11.878  14.108
  256    HB3  ARG  32           HB1      ARG  32  31.318  13.298  14.756
  257    HG2  ARG  32           HG2      ARG  32  29.723  14.745  13.938
  258    HG3  ARG  32           HG1      ARG  32  29.206  13.628  12.677
  259    HD2  ARG  32           HD2      ARG  32  27.607  13.972  14.620
  260    HD3  ARG  32           HD1      ARG  32  27.988  12.308  14.197
  261    HE   ARG  32           HE       ARG  32  29.727  12.616  16.117
  262   HH11  ARG  32          HH11      ARG  32  26.490  13.992  16.058
  263   HH12  ARG  32          HH12      ARG  32  26.247  13.812  17.755
  264   HH21  ARG  32          HH21      ARG  32  29.394  12.369  18.368
  265   HH22  ARG  32          HH22      ARG  32  27.900  12.878  19.084
  266    H    HIS  33           HN       HIS  33  32.770  10.625  12.773
  267    HA   HIS  33           HA       HIS  33  35.144  11.397  14.204
  268    HB2  HIS  33           HB2      HIS  33  33.994   8.773  13.379
  269    HB3  HIS  33           HB1      HIS  33  35.697   8.871  13.820
  270    HD1  HIS  33           HD1      HIS  33  36.008  10.291  16.224
  271    HD2  HIS  33           HD2      HIS  33  32.445   8.248  15.534
  272    HE1  HIS  33           HE1      HIS  33  34.961   9.973  18.491
  273    H    ASP  34           HN       ASP  34  34.292  11.172  10.935
  274    HA   ASP  34           HA       ASP  34  36.803  10.544   9.816
  275    HB2  ASP  34           HB2      ASP  34  34.464  12.137   8.771
  276    HB3  ASP  34           HB1      ASP  34  35.995  12.189   7.918
  277    H    HIS  35           HN       HIS  35  35.763  13.193  11.627
  278    HA   HIS  35           HA       HIS  35  37.670  15.112  10.724
  279    HB2  HIS  35           HB2      HIS  35  36.074  14.935  13.293
  280    HB3  HIS  35           HB1      HIS  35  37.193  16.243  12.943
  281    HD2  HIS  35           HD2      HIS  35  33.808  14.846  11.468
  282    HE1  HIS  35           HE1      HIS  35  34.303  18.892  10.299
  283    HE2  HIS  35           HE2      HIS  35  32.872  16.836  10.107
  284    H    ASP  36           HN       ASP  36  37.699  12.505  13.062
  285    HA   ASP  36           HA       ASP  36  40.136  13.123  14.375
  286    HB2  ASP  36           HB2      ASP  36  38.870  10.422  13.784
  287    HB3  ASP  36           HB1      ASP  36  40.248  10.660  14.842
  288    H    LYS  37           HN       LYS  37  39.291  11.682  11.366
  289    HA   LYS  37           HA       LYS  37  41.970  10.766  10.721
  290    HB2  LYS  37           HB2      LYS  37  39.538  10.863   8.944
  291    HB3  LYS  37           HB1      LYS  37  40.970   9.865   8.748
  292    HG2  LYS  37           HG2      LYS  37  40.378   8.534  10.649
  293    HG3  LYS  37           HG1      LYS  37  39.033   9.610  11.035
  294    HD2  LYS  37           HD2      LYS  37  38.186   7.634   9.935
  295    HD3  LYS  37           HD1      LYS  37  37.992   9.024   8.869
  296    HE2  LYS  37           HE2      LYS  37  38.797   7.104   7.622
  297    HE3  LYS  37           HE1      LYS  37  40.021   8.370   7.659
  298    HZ1  LYS  37           HZ1      LYS  37  41.169   7.178   9.400
  299    HZ2  LYS  37           HZ2      LYS  37  40.961   6.173   8.062
  300    HZ3  LYS  37           HZ3      LYS  37  39.972   5.986   9.424
  301    H    LYS  38           HN       LYS  38  40.424  13.635  10.732
  302    HA   LYS  38           HA       LYS  38  41.590  14.637   8.235
  303    HB2  LYS  38           HB2      LYS  38  39.191  15.108   8.667
  304    HB3  LYS  38           HB1      LYS  38  39.631  15.971  10.129
  305    HG2  LYS  38           HG2      LYS  38  40.875  17.592   8.760
  306    HG3  LYS  38           HG1      LYS  38  40.334  16.744   7.310
  307    HD2  LYS  38           HD2      LYS  38  37.979  17.121   8.068
  308    HD3  LYS  38           HD1      LYS  38  38.618  18.133   9.363
  309    HE2  LYS  38           HE2      LYS  38  37.905  19.513   7.506
  310    HE3  LYS  38           HE1      LYS  38  39.657  19.592   7.679
  311    HZ1  LYS  38           HZ1      LYS  38  38.253  17.837   5.740
  312    HZ2  LYS  38           HZ2      LYS  38  39.918  18.104   5.848
  313    HZ3  LYS  38           HZ3      LYS  38  38.895  19.352   5.363
  314    H    GLU  39           HN       GLU  39  41.426  15.326  11.708
  315    HA   GLU  39           HA       GLU  39  44.130  16.280  11.713
  316    HB2  GLU  39           HB2      GLU  39  42.806  18.257  10.934
  317    HB3  GLU  39           HB1      GLU  39  41.910  18.195  12.444
  318    HG2  GLU  39           HG2      GLU  39  43.649  19.896  12.496
  319    HG3  GLU  39           HG1      GLU  39  43.948  18.633  13.689
  320    H    ALA  40           HN       ALA  40  45.010  15.956  13.681
  321    HA   ALA  40           HA       ALA  40  43.342  14.659  15.680
  322    HB1  ALA  40           HB1      ALA  40  46.333  15.112  15.721
  323    HB2  ALA  40           HB2      ALA  40  45.525  13.679  15.083
  324    HB3  ALA  40           HB3      ALA  40  45.413  14.064  16.798
  325    H    GLU  41           HN       GLU  41  43.454  17.680  15.121
  326    HA   GLU  41           HA       GLU  41  43.187  18.459  17.859
  327    HB2  GLU  41           HB2      GLU  41  45.635  18.790  17.387
  328    HB3  GLU  41           HB1      GLU  41  45.182  19.941  16.137
  329    HG2  GLU  41           HG2      GLU  41  44.001  21.264  17.895
  330    HG3  GLU  41           HG1      GLU  41  44.692  20.172  19.094
  331    H    ARG  42           HN       ARG  42  41.068  18.638  17.066
  332    HA   ARG  42           HA       ARG  42  40.474  21.182  15.950
  333    HB2  ARG  42           HB2      ARG  42  39.711  18.578  14.634
  334    HB3  ARG  42           HB1      ARG  42  38.732  20.022  14.443
  335    HG2  ARG  42           HG2      ARG  42  41.644  19.850  13.698
  336    HG3  ARG  42           HG1      ARG  42  40.312  19.572  12.574
  337    HD2  ARG  42           HD2      ARG  42  40.986  21.819  12.257
  338    HD3  ARG  42           HD1      ARG  42  39.488  21.880  13.180
  339    HE   ARG  42           HE       ARG  42  41.888  21.923  14.781
  340   HH11  ARG  42          HH11      ARG  42  39.487  23.845  13.084
  341   HH12  ARG  42          HH12      ARG  42  39.839  25.291  13.959
  342   HH21  ARG  42          HH21      ARG  42  42.350  23.855  15.950
  343   HH22  ARG  42          HH22      ARG  42  41.472  25.301  15.592
  344    H    LYS  43           HN       LYS  43  39.062  21.901  17.127
  345    HA   LYS  43           HA       LYS  43  37.607  20.503  19.121
  346    HB2  LYS  43           HB2      LYS  43  38.197  22.929  19.295
  347    HB3  LYS  43           HB1      LYS  43  36.993  23.277  18.062
  348    HG2  LYS  43           HG2      LYS  43  35.242  22.412  19.546
  349    HG3  LYS  43           HG1      LYS  43  36.462  22.099  20.781
  350    HD2  LYS  43           HD2      LYS  43  35.826  24.807  19.606
  351    HD3  LYS  43           HD1      LYS  43  35.241  24.213  21.159
  352    HE2  LYS  43           HE2      LYS  43  38.134  24.636  20.396
  353    HE3  LYS  43           HE1      LYS  43  37.178  25.686  21.435
  354    HZ1  LYS  43           HZ1      LYS  43  38.560  24.225  22.732
  355    HZ2  LYS  43           HZ2      LYS  43  37.890  22.863  22.003
  356    HZ3  LYS  43           HZ3      LYS  43  36.932  23.848  22.990
  357    H    ALA  44           HN       ALA  44  37.067  20.794  15.828
  358    HA   ALA  44           HA       ALA  44  34.334  21.019  15.497
  359    HB1  ALA  44           HB1      ALA  44  35.859  20.942  13.587
  360    HB2  ALA  44           HB2      ALA  44  34.568  19.758  13.406
  361    HB3  ALA  44           HB3      ALA  44  36.176  19.231  13.888
  362    H    LEU  45           HN       LEU  45  36.123  17.932  16.021
  363    HA   LEU  45           HA       LEU  45  33.876  16.293  16.134
  364    HB2  LEU  45           HB2      LEU  45  36.112  15.377  15.959
  365    HB3  LEU  45           HB1      LEU  45  36.525  15.999  17.545
  366    HG   LEU  45           HG       LEU  45  34.769  14.494  18.516
  367   HD11  LEU  45          HD11      LEU  45  34.747  13.330  15.740
  368   HD12  LEU  45          HD12      LEU  45  33.412  14.156  16.544
  369   HD13  LEU  45          HD13      LEU  45  33.995  12.612  17.163
  370   HD21  LEU  45          HD21      LEU  45  37.108  13.889  18.612
  371   HD22  LEU  45          HD22      LEU  45  37.021  13.193  16.995
  372   HD23  LEU  45          HD23      LEU  45  36.124  12.456  18.322
  373    H    GLU  46           HN       GLU  46  35.555  18.023  18.790
  374    HA   GLU  46           HA       GLU  46  34.065  17.024  20.896
  375    HB2  GLU  46           HB2      GLU  46  35.257  19.786  20.637
  376    HB3  GLU  46           HB1      GLU  46  34.919  18.915  22.124
  377    HG2  GLU  46           HG2      GLU  46  36.940  18.089  20.057
  378    HG3  GLU  46           HG1      GLU  46  37.304  18.944  21.552
  379    H    ASP  47           HN       ASP  47  33.632  19.876  18.877
  380    HA   ASP  47           HA       ASP  47  31.374  20.965  20.141
  381    HB2  ASP  47           HB2      ASP  47  32.850  22.081  18.361
  382    HB3  ASP  47           HB1      ASP  47  31.899  21.201  17.168
  383    H    LYS  48           HN       LYS  48  31.604  18.121  18.345
  384    HA   LYS  48           HA       LYS  48  28.763  18.118  17.669
  385    HB2  LYS  48           HB2      LYS  48  30.945  16.112  16.993
  386    HB3  LYS  48           HB1      LYS  48  29.255  15.924  16.555
  387    HG2  LYS  48           HG2      LYS  48  31.050  18.171  15.668
  388    HG3  LYS  48           HG1      LYS  48  30.613  16.757  14.705
  389    HD2  LYS  48           HD2      LYS  48  28.261  17.405  14.821
  390    HD3  LYS  48           HD1      LYS  48  28.690  18.805  15.801
  391    HE2  LYS  48           HE2      LYS  48  30.043  19.674  13.952
  392    HE3  LYS  48           HE1      LYS  48  29.585  18.280  12.972
  393    HZ1  LYS  48           HZ1      LYS  48  28.252  20.279  12.514
  394    HZ2  LYS  48           HZ2      LYS  48  27.668  20.237  14.103
  395    HZ3  LYS  48           HZ3      LYS  48  27.311  18.976  13.039
  396    H    LEU  49           HN       LEU  49  31.035  15.922  19.341
  397    HA   LEU  49           HA       LEU  49  29.062  14.383  20.622
  398    HB2  LEU  49           HB2      LEU  49  31.413  13.660  20.413
  399    HB3  LEU  49           HB1      LEU  49  31.898  14.908  21.548
  400    HG   LEU  49           HG       LEU  49  30.529  13.770  23.292
  401   HD11  LEU  49          HD11      LEU  49  29.832  11.456  22.891
  402   HD12  LEU  49          HD12      LEU  49  30.275  11.624  21.192
  403   HD13  LEU  49          HD13      LEU  49  28.966  12.596  21.864
  404   HD21  LEU  49          HD21      LEU  49  32.681  12.109  21.987
  405   HD22  LEU  49          HD22      LEU  49  32.114  11.941  23.648
  406   HD23  LEU  49          HD23      LEU  49  32.934  13.418  23.142
  407    H    ALA  50           HN       ALA  50  30.408  17.420  21.435
  408    HA   ALA  50           HA       ALA  50  28.653  17.576  23.791
  409    HB1  ALA  50           HB1      ALA  50  31.538  18.452  23.804
  410    HB2  ALA  50           HB2      ALA  50  30.891  17.025  24.614
  411    HB3  ALA  50           HB3      ALA  50  30.389  18.635  25.129
  412    H    ASP  51           HN       ASP  51  28.158  19.741  24.465
  413    HA   ASP  51           HA       ASP  51  29.000  21.941  22.864
  414    HB2  ASP  51           HB2      ASP  51  26.800  22.627  22.045
  415    HB3  ASP  51           HB1      ASP  51  27.196  21.033  21.422
  416    H    TYR  52           HN       TYR  52  29.145  23.618  24.084
  417    HA   TYR  52           HA       TYR  52  29.139  24.950  25.930
  418    HB2  TYR  52           HB2      TYR  52  26.262  24.023  26.045
  419    HB3  TYR  52           HB1      TYR  52  26.922  25.311  27.046
  420    HD1  TYR  52           HD1      TYR  52  25.834  24.366  23.692
  421    HD2  TYR  52           HD2      TYR  52  27.558  27.446  26.061
  422    HE1  TYR  52           HE1      TYR  52  25.380  25.988  21.903
  423    HE2  TYR  52           HE2      TYR  52  27.110  29.076  24.282
  424    HH   TYR  52           HH       TYR  52  26.729  29.132  21.899
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   1.248 -23.277   4.269
    2    H2   GLY   1           HT2      GLY   1   0.690 -21.696   4.076
    3    H3   GLY   1           HT3      GLY   1  -0.382 -22.917   4.520
    4    HA2  GLY   1           HA1      GLY   1   0.756 -23.198   6.623
    5    HA3  GLY   1           HA2      GLY   1   1.876 -21.928   6.156
    6    H    SER   2           HN       SER   2   1.399 -19.928   6.745
    7    HA   SER   2           HA       SER   2  -1.348 -19.100   7.068
    8    HB2  SER   2           HB2      SER   2  -0.746 -20.062   9.285
    9    HB3  SER   2           HB1      SER   2   0.613 -18.944   9.378
   10    HG   SER   2           HG       SER   2  -1.099 -18.047  10.496
   11    H    VAL   3           HN       VAL   3  -1.519 -16.780   7.283
   12    HA   VAL   3           HA       VAL   3   0.883 -15.367   6.342
   13    HB   VAL   3           HB       VAL   3  -1.937 -14.509   5.666
   14   HG11  VAL   3          HG11      VAL   3  -0.855 -13.262   3.871
   15   HG12  VAL   3          HG12      VAL   3   0.710 -13.921   4.341
   16   HG13  VAL   3          HG13      VAL   3  -0.152 -12.840   5.435
   17   HG21  VAL   3          HG21      VAL   3  -1.680 -16.758   4.763
   18   HG22  VAL   3          HG22      VAL   3  -0.166 -16.290   3.988
   19   HG23  VAL   3          HG23      VAL   3  -1.687 -15.567   3.463
   20    H    GLU   4           HN       GLU   4  -1.231 -15.877   8.759
   21    HA   GLU   4           HA       GLU   4  -1.720 -14.911  10.713
   22    HB2  GLU   4           HB2      GLU   4   0.618 -13.170  10.027
   23    HB3  GLU   4           HB1      GLU   4  -0.177 -13.190  11.597
   24    HG2  GLU   4           HG2      GLU   4   0.336 -15.609  11.768
   25    HG3  GLU   4           HG1      GLU   4   1.243 -15.485  10.265
   26    H    LYS   5           HN       LYS   5  -3.855 -14.255   9.566
   27    HA   LYS   5           HA       LYS   5  -5.427 -12.776   9.095
   28    HB2  LYS   5           HB2      LYS   5  -3.719 -10.982  10.830
   29    HB3  LYS   5           HB1      LYS   5  -5.383 -10.653  10.366
   30    HG2  LYS   5           HG2      LYS   5  -6.167 -12.561  11.582
   31    HG3  LYS   5           HG1      LYS   5  -4.515 -13.079  11.916
   32    HD2  LYS   5           HD2      LYS   5  -4.163 -11.014  13.214
   33    HD3  LYS   5           HD1      LYS   5  -5.843 -10.562  12.914
   34    HE2  LYS   5           HE2      LYS   5  -6.621 -12.525  14.087
   35    HE3  LYS   5           HE1      LYS   5  -4.966 -13.092  14.295
   36    HZ1  LYS   5           HZ1      LYS   5  -4.528 -11.123  15.649
   37    HZ2  LYS   5           HZ2      LYS   5  -5.763 -12.073  16.300
   38    HZ3  LYS   5           HZ3      LYS   5  -6.143 -10.644  15.489
   39    H    LEU   6           HN       LEU   6  -2.978 -12.964   7.455
   40    HA   LEU   6           HA       LEU   6  -2.094 -12.071   5.567
   41    HB2  LEU   6           HB2      LEU   6  -4.418 -10.137   5.720
   42    HB3  LEU   6           HB1      LEU   6  -3.389 -10.392   4.327
   43    HG   LEU   6           HG       LEU   6  -5.283 -12.427   5.511
   44   HD11  LEU   6          HD11      LEU   6  -5.435 -10.834   2.959
   45   HD12  LEU   6          HD12      LEU   6  -6.439 -10.604   4.391
   46   HD13  LEU   6          HD13      LEU   6  -6.560 -12.096   3.458
   47   HD21  LEU   6          HD21      LEU   6  -4.755 -13.746   3.502
   48   HD22  LEU   6          HD22      LEU   6  -3.345 -13.511   4.533
   49   HD23  LEU   6          HD23      LEU   6  -3.528 -12.559   3.060
   50    H    THR   7           HN       THR   7  -1.196 -11.185   8.210
   51    HA   THR   7           HA       THR   7  -0.092  -8.655   7.393
   52    HB   THR   7           HB       THR   7  -1.514  -9.008  10.039
   53    HG1  THR   7           HG1      THR   7  -2.371  -8.217   7.614
   54   HG21  THR   7          HG21      THR   7  -0.066  -6.618   8.871
   55   HG22  THR   7          HG22      THR   7   0.516  -7.615  10.203
   56   HG23  THR   7          HG23      THR   7  -0.944  -6.648  10.401
   57    H    ALA   8           HN       ALA   8   1.969  -9.711   7.406
   58    HA   ALA   8           HA       ALA   8   3.154 -10.030  10.020
   59    HB1  ALA   8           HB1      ALA   8   3.279 -12.223   7.939
   60    HB2  ALA   8           HB2      ALA   8   2.448 -12.306   9.491
   61    HB3  ALA   8           HB3      ALA   8   4.205 -12.178   9.439
   62    H    ASP   9           HN       ASP   9   3.580 -10.177   6.508
   63    HA   ASP   9           HA       ASP   9   6.361  -9.696   6.465
   64    HB2  ASP   9           HB2      ASP   9   4.272  -9.052   4.369
   65    HB3  ASP   9           HB1      ASP   9   6.010  -8.992   4.104
   66    H    ALA  10           HN       ALA  10   3.605  -7.551   6.387
   67    HA   ALA  10           HA       ALA  10   4.882  -5.114   5.972
   68    HB1  ALA  10           HB1      ALA  10   2.933  -4.042   6.956
   69    HB2  ALA  10           HB2      ALA  10   2.409  -5.571   7.654
   70    HB3  ALA  10           HB3      ALA  10   2.435  -5.358   5.900
   71    H    GLU  11           HN       GLU  11   4.564  -6.968   8.911
   72    HA   GLU  11           HA       GLU  11   5.500  -4.871  10.631
   73    HB2  GLU  11           HB2      GLU  11   5.348  -7.866  11.086
   74    HB3  GLU  11           HB1      GLU  11   5.763  -6.688  12.317
   75    HG2  GLU  11           HG2      GLU  11   3.122  -6.885  10.872
   76    HG3  GLU  11           HG1      GLU  11   3.452  -7.368  12.531
   77    H    LEU  12           HN       LEU  12   6.884  -7.191   8.570
   78    HA   LEU  12           HA       LEU  12   9.511  -7.181   9.768
   79    HB2  LEU  12           HB2      LEU  12   8.903  -8.106   6.968
   80    HB3  LEU  12           HB1      LEU  12  10.159  -8.666   8.049
   81    HG   LEU  12           HG       LEU  12   7.220  -9.348   8.131
   82   HD11  LEU  12          HD11      LEU  12   8.477 -10.592   6.548
   83   HD12  LEU  12          HD12      LEU  12   8.000 -11.615   7.903
   84   HD13  LEU  12          HD13      LEU  12   9.663 -11.030   7.779
   85   HD21  LEU  12          HD21      LEU  12   9.323 -10.012  10.182
   86   HD22  LEU  12          HD22      LEU  12   7.687 -10.683  10.107
   87   HD23  LEU  12          HD23      LEU  12   7.919  -8.961  10.401
   88    H    GLN  13           HN       GLN  13   7.847  -5.757   7.020
   89    HA   GLN  13           HA       GLN  13   9.977  -4.463   5.757
   90    HB2  GLN  13           HB2      GLN  13   7.103  -3.547   5.993
   91    HB3  GLN  13           HB1      GLN  13   8.269  -2.955   4.819
   92    HG2  GLN  13           HG2      GLN  13   8.378  -5.103   3.760
   93    HG3  GLN  13           HG1      GLN  13   7.366  -5.817   5.013
   94   HE21  GLN  13          HE21      GLN  13   6.960  -5.700   2.140
   95   HE22  GLN  13          HE22      GLN  13   5.442  -4.905   1.900
   96    H    ARG  14           HN       ARG  14   7.847  -3.374   8.343
   97    HA   ARG  14           HA       ARG  14   8.871  -0.777   8.660
   98    HB2  ARG  14           HB2      ARG  14   6.798  -1.501   9.757
   99    HB3  ARG  14           HB1      ARG  14   7.703  -2.606  10.783
  100    HG2  ARG  14           HG2      ARG  14   8.933  -0.548  11.628
  101    HG3  ARG  14           HG1      ARG  14   7.664   0.386  10.832
  102    HD2  ARG  14           HD2      ARG  14   7.075   0.055  13.139
  103    HD3  ARG  14           HD1      ARG  14   5.982  -0.881  12.120
  104    HE   ARG  14           HE       ARG  14   8.316  -2.137  13.391
  105   HH11  ARG  14          HH11      ARG  14   4.837  -1.991  12.892
  106   HH12  ARG  14          HH12      ARG  14   4.520  -3.496  13.684
  107   HH21  ARG  14          HH21      ARG  14   7.897  -4.128  14.470
  108   HH22  ARG  14          HH22      ARG  14   6.271  -4.696  14.617
  109    H    LEU  15           HN       LEU  15   9.781  -3.810  10.214
  110    HA   LEU  15           HA       LEU  15  11.793  -2.845  11.897
  111    HB2  LEU  15           HB2      LEU  15  10.850  -5.112  12.045
  112    HB3  LEU  15           HB1      LEU  15  11.633  -5.536  10.536
  113    HG   LEU  15           HG       LEU  15  13.840  -5.170  11.630
  114   HD11  LEU  15          HD11      LEU  15  13.163  -3.637  13.383
  115   HD12  LEU  15          HD12      LEU  15  13.925  -5.066  14.079
  116   HD13  LEU  15          HD13      LEU  15  12.171  -4.891  14.125
  117   HD21  LEU  15          HD21      LEU  15  12.021  -7.190  12.939
  118   HD22  LEU  15          HD22      LEU  15  13.783  -7.237  12.952
  119   HD23  LEU  15          HD23      LEU  15  12.907  -7.407  11.431
  120    H    LYS  16           HN       LYS  16  11.995  -4.038   8.559
  121    HA   LYS  16           HA       LYS  16  14.746  -3.826   8.197
  122    HB2  LYS  16           HB2      LYS  16  12.580  -3.345   6.134
  123    HB3  LYS  16           HB1      LYS  16  14.273  -3.653   5.786
  124    HG2  LYS  16           HG2      LYS  16  14.063  -5.866   6.811
  125    HG3  LYS  16           HG1      LYS  16  12.354  -5.552   7.113
  126    HD2  LYS  16           HD2      LYS  16  12.013  -5.271   4.684
  127    HD3  LYS  16           HD1      LYS  16  13.713  -5.666   4.419
  128    HE2  LYS  16           HE2      LYS  16  11.621  -7.461   5.648
  129    HE3  LYS  16           HE1      LYS  16  12.320  -7.617   4.038
  130    HZ1  LYS  16           HZ1      LYS  16  14.489  -7.984   5.086
  131    HZ2  LYS  16           HZ2      LYS  16  13.357  -9.151   5.545
  132    HZ3  LYS  16           HZ3      LYS  16  13.766  -7.914   6.615
  133    H    ASN  17           HN       ASN  17  12.230  -1.391   7.578
  134    HA   ASN  17           HA       ASN  17  13.953   0.638   6.643
  135    HB2  ASN  17           HB2      ASN  17  11.276   0.903   8.040
  136    HB3  ASN  17           HB1      ASN  17  12.100   2.195   7.178
  137   HD21  ASN  17          HD21      ASN  17   9.493   1.004   6.731
  138   HD22  ASN  17          HD22      ASN  17   9.498   0.421   5.103
  139    H    GLU  18           HN       GLU  18  12.662  -0.071   9.839
  140    HA   GLU  18           HA       GLU  18  13.719   2.163  11.153
  141    HB2  GLU  18           HB2      GLU  18  11.909   0.793  12.055
  142    HB3  GLU  18           HB1      GLU  18  13.018  -0.552  12.263
  143    HG2  GLU  18           HG2      GLU  18  14.231   0.618  13.946
  144    HG3  GLU  18           HG1      GLU  18  13.334   2.102  13.627
  145    H    ARG  19           HN       ARG  19  15.023  -1.140  10.841
  146    HA   ARG  19           HA       ARG  19  17.348  -0.499  12.398
  147    HB2  ARG  19           HB2      ARG  19  16.405  -2.849  12.087
  148    HB3  ARG  19           HB1      ARG  19  17.148  -2.833  10.490
  149    HG2  ARG  19           HG2      ARG  19  19.338  -2.488  11.521
  150    HG3  ARG  19           HG1      ARG  19  18.588  -2.515  13.116
  151    HD2  ARG  19           HD2      ARG  19  19.477  -4.679  12.752
  152    HD3  ARG  19           HD1      ARG  19  17.732  -4.801  12.552
  153    HE   ARG  19           HE       ARG  19  19.133  -4.351  10.091
  154   HH11  ARG  19          HH11      ARG  19  17.985  -6.789  12.349
  155   HH12  ARG  19          HH12      ARG  19  18.073  -8.083  11.205
  156   HH21  ARG  19          HH21      ARG  19  19.235  -6.076   8.554
  157   HH22  ARG  19          HH22      ARG  19  18.797  -7.675   9.046
  158    H    HIS  20           HN       HIS  20  16.532  -0.358   9.050
  159    HA   HIS  20           HA       HIS  20  19.206  -0.008   8.076
  160    HB2  HIS  20           HB2      HIS  20  17.396  -0.618   6.507
  161    HB3  HIS  20           HB1      HIS  20  16.604   0.927   6.811
  162    HD1  HIS  20           HD1      HIS  20  17.186   2.761   5.257
  163    HD2  HIS  20           HD2      HIS  20  20.048  -0.254   5.251
  164    HE1  HIS  20           HE1      HIS  20  18.828   3.402   3.482
  165    H    GLU  21           HN       GLU  21  16.632   2.165   9.062
  166    HA   GLU  21           HA       GLU  21  17.987   4.593   8.629
  167    HB2  GLU  21           HB2      GLU  21  15.565   4.500   9.093
  168    HB3  GLU  21           HB1      GLU  21  15.900   3.969  10.738
  169    HG2  GLU  21           HG2      GLU  21  17.021   6.087  11.186
  170    HG3  GLU  21           HG1      GLU  21  16.668   6.616   9.542
  171    H    GLU  22           HN       GLU  22  18.146   2.240  11.164
  172    HA   GLU  22           HA       GLU  22  19.629   3.882  12.963
  173    HB2  GLU  22           HB2      GLU  22  18.388   1.989  13.863
  174    HB3  GLU  22           HB1      GLU  22  19.297   0.857  12.878
  175    HG2  GLU  22           HG2      GLU  22  21.291   1.295  14.120
  176    HG3  GLU  22           HG1      GLU  22  20.500   2.593  15.013
  177    H    ALA  23           HN       ALA  23  20.611   1.093  10.871
  178    HA   ALA  23           HA       ALA  23  23.279   1.223  11.014
  179    HB1  ALA  23           HB1      ALA  23  22.084  -0.402   9.608
  180    HB2  ALA  23           HB2      ALA  23  23.397   0.374   8.732
  181    HB3  ALA  23           HB3      ALA  23  21.736   0.874   8.441
  182    H    GLU  24           HN       GLU  24  21.319   3.391   8.970
  183    HA   GLU  24           HA       GLU  24  23.637   4.595   7.821
  184    HB2  GLU  24           HB2      GLU  24  22.142   6.334   6.933
  185    HB3  GLU  24           HB1      GLU  24  21.535   4.719   6.611
  186    HG2  GLU  24           HG2      GLU  24  19.935   4.946   8.411
  187    HG3  GLU  24           HG1      GLU  24  20.571   6.544   8.793
  188    H    LEU  25           HN       LEU  25  21.498   5.524  10.466
  189    HA   LEU  25           HA       LEU  25  22.764   7.903  11.213
  190    HB2  LEU  25           HB2      LEU  25  20.629   7.151  12.158
  191    HB3  LEU  25           HB1      LEU  25  21.444   5.833  12.974
  192    HG   LEU  25           HG       LEU  25  22.673   7.463  14.357
  193   HD11  LEU  25          HD11      LEU  25  21.971   9.801  14.354
  194   HD12  LEU  25          HD12      LEU  25  20.945   9.493  12.955
  195   HD13  LEU  25          HD13      LEU  25  22.695   9.336  12.818
  196   HD21  LEU  25          HD21      LEU  25  20.587   6.496  15.172
  197   HD22  LEU  25          HD22      LEU  25  19.673   7.789  14.394
  198   HD23  LEU  25          HD23      LEU  25  20.767   8.162  15.724
  199    H    GLU  26           HN       GLU  26  23.386   4.623  12.135
  200    HA   GLU  26           HA       GLU  26  25.559   5.057  13.891
  201    HB2  GLU  26           HB2      GLU  26  24.390   2.879  13.701
  202    HB3  GLU  26           HB1      GLU  26  25.146   2.630  12.133
  203    HG2  GLU  26           HG2      GLU  26  27.345   2.633  13.181
  204    HG3  GLU  26           HG1      GLU  26  26.603   2.914  14.753
  205    H    ARG  27           HN       ARG  27  25.422   4.930  10.414
  206    HA   ARG  27           HA       ARG  27  28.290   4.988  10.103
  207    HB2  ARG  27           HB2      ARG  27  26.087   5.504   8.086
  208    HB3  ARG  27           HB1      ARG  27  27.799   5.389   7.706
  209    HG2  ARG  27           HG2      ARG  27  27.857   3.090   8.407
  210    HG3  ARG  27           HG1      ARG  27  26.181   3.181   8.945
  211    HD2  ARG  27           HD2      ARG  27  25.477   3.620   6.634
  212    HD3  ARG  27           HD1      ARG  27  27.158   3.497   6.109
  213    HE   ARG  27           HE       ARG  27  26.537   1.170   7.497
  214   HH11  ARG  27          HH11      ARG  27  25.546   2.747   4.517
  215   HH12  ARG  27          HH12      ARG  27  25.200   1.258   3.707
  216   HH21  ARG  27          HH21      ARG  27  26.067  -0.781   6.428
  217   HH22  ARG  27          HH22      ARG  27  25.496  -0.758   4.793
  218    H    LEU  28           HN       LEU  28  25.658   7.282  10.196
  219    HA   LEU  28           HA       LEU  28  27.065   9.554   9.304
  220    HB2  LEU  28           HB2      LEU  28  24.723   9.407  11.201
  221    HB3  LEU  28           HB1      LEU  28  25.297  10.862  10.419
  222    HG   LEU  28           HG       LEU  28  24.078   8.468   9.047
  223   HD11  LEU  28          HD11      LEU  28  22.257   9.999   8.521
  224   HD12  LEU  28          HD12      LEU  28  23.049  11.268   9.453
  225   HD13  LEU  28          HD13      LEU  28  22.461   9.817  10.263
  226   HD21  LEU  28          HD21      LEU  28  25.096  11.068   7.905
  227   HD22  LEU  28          HD22      LEU  28  24.173   9.854   7.018
  228   HD23  LEU  28          HD23      LEU  28  25.778   9.463   7.633
  229    H    LYS  29           HN       LYS  29  26.834   8.017  12.468
  230    HA   LYS  29           HA       LYS  29  27.976  10.225  13.840
  231    HB2  LYS  29           HB2      LYS  29  28.217   8.739  15.778
  232    HB3  LYS  29           HB1      LYS  29  26.616   8.617  15.082
  233    HG2  LYS  29           HG2      LYS  29  27.090   6.423  15.536
  234    HG3  LYS  29           HG1      LYS  29  27.614   6.538  13.858
  235    HD2  LYS  29           HD2      LYS  29  29.937   6.856  14.618
  236    HD3  LYS  29           HD1      LYS  29  29.399   6.717  16.293
  237    HE2  LYS  29           HE2      LYS  29  28.599   4.440  15.836
  238    HE3  LYS  29           HE1      LYS  29  29.153   4.586  14.168
  239    HZ1  LYS  29           HZ1      LYS  29  30.726   3.376  15.534
  240    HZ2  LYS  29           HZ2      LYS  29  30.887   4.692  16.576
  241    HZ3  LYS  29           HZ3      LYS  29  31.424   4.811  14.976
  242    H    SER  30           HN       SER  30  29.364   7.358  12.226
  243    HA   SER  30           HA       SER  30  31.954   7.928  13.168
  244    HB2  SER  30           HB2      SER  30  32.519   6.400  11.112
  245    HB3  SER  30           HB1      SER  30  31.741   5.716  12.538
  246    HG   SER  30           HG       SER  30  30.273   6.663  10.295
  247    H    GLU  31           HN       GLU  31  30.013   9.031  10.456
  248    HA   GLU  31           HA       GLU  31  32.127  10.183   8.960
  249    HB2  GLU  31           HB2      GLU  31  29.258  11.132   9.146
  250    HB3  GLU  31           HB1      GLU  31  30.413  11.582   7.904
  251    HG2  GLU  31           HG2      GLU  31  30.530   9.076   7.395
  252    HG3  GLU  31           HG1      GLU  31  29.052   8.962   8.344
  253    H    ARG  32           HN       ARG  32  29.943  11.440  11.375
  254    HA   ARG  32           HA       ARG  32  30.780  13.983  11.811
  255    HB2  ARG  32           HB2      ARG  32  29.132  12.463  13.168
  256    HB3  ARG  32           HB1      ARG  32  30.524  12.194  14.206
  257    HG2  ARG  32           HG2      ARG  32  29.263  13.945  15.169
  258    HG3  ARG  32           HG1      ARG  32  30.696  14.685  14.450
  259    HD2  ARG  32           HD2      ARG  32  28.720  16.002  13.943
  260    HD3  ARG  32           HD1      ARG  32  29.373  15.294  12.469
  261    HE   ARG  32           HE       ARG  32  27.299  13.717  13.706
  262   HH11  ARG  32          HH11      ARG  32  27.970  16.304  11.432
  263   HH12  ARG  32          HH12      ARG  32  26.448  16.170  10.629
  264   HH21  ARG  32          HH21      ARG  32  25.294  13.523  12.635
  265   HH22  ARG  32          HH22      ARG  32  24.902  14.569  11.315
  266    H    HIS  33           HN       HIS  33  32.394  11.085  13.112
  267    HA   HIS  33           HA       HIS  33  34.594  12.547  14.227
  268    HB2  HIS  33           HB2      HIS  33  33.970  10.397  15.186
  269    HB3  HIS  33           HB1      HIS  33  34.260   9.594  13.648
  270    HD1  HIS  33           HD1      HIS  33  36.591   8.749  13.230
  271    HD2  HIS  33           HD2      HIS  33  36.396  11.375  16.446
  272    HE1  HIS  33           HE1      HIS  33  38.865   8.694  14.275
  273    H    ASP  34           HN       ASP  34  33.970  10.828  11.274
  274    HA   ASP  34           HA       ASP  34  36.522  10.662  10.149
  275    HB2  ASP  34           HB2      ASP  34  34.516   9.541   9.208
  276    HB3  ASP  34           HB1      ASP  34  33.885  11.106   8.706
  277    H    HIS  35           HN       HIS  35  34.141  13.243   9.927
  278    HA   HIS  35           HA       HIS  35  35.856  14.994   8.402
  279    HB2  HIS  35           HB2      HIS  35  33.389  15.155   8.211
  280    HB3  HIS  35           HB1      HIS  35  33.274  15.583   9.912
  281    HD2  HIS  35           HD2      HIS  35  34.372  17.218   6.525
  282    HE1  HIS  35           HE1      HIS  35  33.871  20.256   9.431
  283    HE2  HIS  35           HE2      HIS  35  34.108  19.742   6.979
  284    H    ASP  36           HN       ASP  36  35.254  14.442  11.754
  285    HA   ASP  36           HA       ASP  36  36.450  16.868  12.705
  286    HB2  ASP  36           HB2      ASP  36  34.872  15.599  14.118
  287    HB3  ASP  36           HB1      ASP  36  35.999  14.245  14.168
  288    H    LYS  37           HN       LYS  37  37.638  13.775  11.723
  289    HA   LYS  37           HA       LYS  37  40.366  14.688  12.178
  290    HB2  LYS  37           HB2      LYS  37  39.847  13.171  14.041
  291    HB3  LYS  37           HB1      LYS  37  39.337  11.931  12.905
  292    HG2  LYS  37           HG2      LYS  37  41.666  11.910  11.993
  293    HG3  LYS  37           HG1      LYS  37  42.127  13.005  13.298
  294    HD2  LYS  37           HD2      LYS  37  40.834  10.323  13.766
  295    HD3  LYS  37           HD1      LYS  37  42.581  10.553  13.710
  296    HE2  LYS  37           HE2      LYS  37  40.736  12.022  15.588
  297    HE3  LYS  37           HE1      LYS  37  41.595  10.543  16.007
  298    HZ1  LYS  37           HZ1      LYS  37  42.887  13.080  15.166
  299    HZ2  LYS  37           HZ2      LYS  37  43.682  11.670  15.638
  300    HZ3  LYS  37           HZ3      LYS  37  42.759  12.532  16.759
  301    H    LYS  38           HN       LYS  38  39.878  15.164   9.898
  302    HA   LYS  38           HA       LYS  38  39.631  13.162   7.918
  303    HB2  LYS  38           HB2      LYS  38  41.019  15.810   7.558
  304    HB3  LYS  38           HB1      LYS  38  40.184  14.862   6.341
  305    HG2  LYS  38           HG2      LYS  38  38.055  15.325   7.389
  306    HG3  LYS  38           HG1      LYS  38  38.863  16.203   8.690
  307    HD2  LYS  38           HD2      LYS  38  39.810  17.724   6.914
  308    HD3  LYS  38           HD1      LYS  38  38.710  16.944   5.776
  309    HE2  LYS  38           HE2      LYS  38  37.724  18.990   6.594
  310    HE3  LYS  38           HE1      LYS  38  36.814  17.609   7.201
  311    HZ1  LYS  38           HZ1      LYS  38  37.233  19.331   8.888
  312    HZ2  LYS  38           HZ2      LYS  38  38.890  19.067   8.746
  313    HZ3  LYS  38           HZ3      LYS  38  37.881  17.833   9.325
  314    H    GLU  39           HN       GLU  39  41.787  12.559   9.871
  315    HA   GLU  39           HA       GLU  39  43.848  11.879   7.955
  316    HB2  GLU  39           HB2      GLU  39  45.663  12.654   9.525
  317    HB3  GLU  39           HB1      GLU  39  44.779  13.935   8.711
  318    HG2  GLU  39           HG2      GLU  39  43.545  14.436  10.694
  319    HG3  GLU  39           HG1      GLU  39  44.194  13.018  11.517
  320    H    ALA  40           HN       ALA  40  43.333   9.775   8.168
  321    HA   ALA  40           HA       ALA  40  43.418   7.690   8.918
  322    HB1  ALA  40           HB1      ALA  40  45.592   8.172   9.912
  323    HB2  ALA  40           HB2      ALA  40  44.678   7.097  10.970
  324    HB3  ALA  40           HB3      ALA  40  44.815   8.810  11.361
  325    H    GLU  41           HN       GLU  41  42.289   6.190  10.681
  326    HA   GLU  41           HA       GLU  41  40.412   5.675  11.759
  327    HB2  GLU  41           HB2      GLU  41  40.746   8.343  13.146
  328    HB3  GLU  41           HB1      GLU  41  39.814   6.969  13.722
  329    HG2  GLU  41           HG2      GLU  41  42.797   7.204  13.488
  330    HG3  GLU  41           HG1      GLU  41  41.836   7.036  14.953
  331    H    ARG  42           HN       ARG  42  39.159   5.775   9.880
  332    HA   ARG  42           HA       ARG  42  37.597   8.152   9.548
  333    HB2  ARG  42           HB2      ARG  42  38.536   6.260   7.381
  334    HB3  ARG  42           HB1      ARG  42  37.697   7.784   7.157
  335    HG2  ARG  42           HG2      ARG  42  40.496   7.456   8.217
  336    HG3  ARG  42           HG1      ARG  42  40.052   7.964   6.589
  337    HD2  ARG  42           HD2      ARG  42  39.451   9.430   9.157
  338    HD3  ARG  42           HD1      ARG  42  40.656   9.886   7.958
  339    HE   ARG  42           HE       ARG  42  37.735  10.010   7.624
  340   HH11  ARG  42          HH11      ARG  42  40.936  10.804   6.451
  341   HH12  ARG  42          HH12      ARG  42  40.390  12.070   5.407
  342   HH21  ARG  42          HH21      ARG  42  36.990  11.685   6.261
  343   HH22  ARG  42          HH22      ARG  42  38.129  12.574   5.295
  344    H    LYS  43           HN       LYS  43  35.725   7.598   8.444
  345    HA   LYS  43           HA       LYS  43  34.075   5.930   9.915
  346    HB2  LYS  43           HB2      LYS  43  32.307   6.351   8.261
  347    HB3  LYS  43           HB1      LYS  43  33.156   7.815   8.733
  348    HG2  LYS  43           HG2      LYS  43  34.453   7.716   6.649
  349    HG3  LYS  43           HG1      LYS  43  33.560   6.268   6.177
  350    HD2  LYS  43           HD2      LYS  43  31.473   7.545   6.259
  351    HD3  LYS  43           HD1      LYS  43  32.382   8.985   6.710
  352    HE2  LYS  43           HE2      LYS  43  33.641   8.784   4.576
  353    HE3  LYS  43           HE1      LYS  43  32.581   7.449   4.126
  354    HZ1  LYS  43           HZ1      LYS  43  31.845  10.280   4.561
  355    HZ2  LYS  43           HZ2      LYS  43  30.693   9.056   4.447
  356    HZ3  LYS  43           HZ3      LYS  43  31.707   9.387   3.131
  357    H    ALA  44           HN       ALA  44  35.274   5.272   6.585
  358    HA   ALA  44           HA       ALA  44  33.928   2.848   6.272
  359    HB1  ALA  44           HB1      ALA  44  35.543   2.319   4.519
  360    HB2  ALA  44           HB2      ALA  44  36.605   3.607   5.071
  361    HB3  ALA  44           HB3      ALA  44  35.020   3.994   4.389
  362    H    LEU  45           HN       LEU  45  37.158   3.485   7.576
  363    HA   LEU  45           HA       LEU  45  37.747   0.778   8.093
  364    HB2  LEU  45           HB2      LEU  45  38.977   3.313   9.179
  365    HB3  LEU  45           HB1      LEU  45  39.579   1.713   9.539
  366    HG   LEU  45           HG       LEU  45  39.921   1.401   7.040
  367   HD11  LEU  45          HD11      LEU  45  40.147   3.422   5.690
  368   HD12  LEU  45          HD12      LEU  45  39.520   4.386   7.026
  369   HD13  LEU  45          HD13      LEU  45  38.487   3.193   6.240
  370   HD21  LEU  45          HD21      LEU  45  42.028   2.648   7.043
  371   HD22  LEU  45          HD22      LEU  45  41.759   1.801   8.567
  372   HD23  LEU  45          HD23      LEU  45  41.490   3.541   8.465
  373    H    GLU  46           HN       GLU  46  35.649   2.893   9.737
  374    HA   GLU  46           HA       GLU  46  36.183   1.740  12.361
  375    HB2  GLU  46           HB2      GLU  46  35.671   4.165  12.174
  376    HB3  GLU  46           HB1      GLU  46  34.067   3.761  11.577
  377    HG2  GLU  46           HG2      GLU  46  33.458   2.784  13.661
  378    HG3  GLU  46           HG1      GLU  46  35.110   2.906  14.263
  379    H    ASP  47           HN       ASP  47  33.625   1.780   9.945
  380    HA   ASP  47           HA       ASP  47  32.056  -0.188  11.460
  381    HB2  ASP  47           HB2      ASP  47  30.923   1.712  10.255
  382    HB3  ASP  47           HB1      ASP  47  31.474   1.020   8.732
  383    H    LYS  48           HN       LYS  48  33.945   0.195   8.752
  384    HA   LYS  48           HA       LYS  48  35.194  -1.213   7.360
  385    HB2  LYS  48           HB2      LYS  48  35.846  -2.266   9.491
  386    HB3  LYS  48           HB1      LYS  48  34.464  -3.344   9.381
  387    HG2  LYS  48           HG2      LYS  48  36.556  -4.429   8.710
  388    HG3  LYS  48           HG1      LYS  48  35.384  -4.372   7.391
  389    HD2  LYS  48           HD2      LYS  48  36.543  -2.411   6.469
  390    HD3  LYS  48           HD1      LYS  48  37.725  -2.507   7.776
  391    HE2  LYS  48           HE2      LYS  48  38.432  -4.690   7.010
  392    HE3  LYS  48           HE1      LYS  48  37.188  -4.679   5.763
  393    HZ1  LYS  48           HZ1      LYS  48  38.270  -2.794   4.737
  394    HZ2  LYS  48           HZ2      LYS  48  39.355  -4.086   4.885
  395    HZ3  LYS  48           HZ3      LYS  48  39.456  -2.778   5.946
  396    H    LEU  49           HN       LEU  49  32.984  -0.707   6.050
  397    HA   LEU  49           HA       LEU  49  31.206  -2.858   5.606
  398    HB2  LEU  49           HB2      LEU  49  31.920  -0.492   3.861
  399    HB3  LEU  49           HB1      LEU  49  30.651  -1.633   3.488
  400    HG   LEU  49           HG       LEU  49  30.691   0.097   5.957
  401   HD11  LEU  49          HD11      LEU  49  30.463   1.455   3.945
  402   HD12  LEU  49          HD12      LEU  49  28.943   1.387   4.835
  403   HD13  LEU  49          HD13      LEU  49  29.156   0.414   3.380
  404   HD21  LEU  49          HD21      LEU  49  28.323  -0.590   6.090
  405   HD22  LEU  49          HD22      LEU  49  29.441  -1.940   6.282
  406   HD23  LEU  49          HD23      LEU  49  28.596  -1.704   4.751
  407    H    ALA  50           HN       ALA  50  34.096  -1.756   3.903
  408    HA   ALA  50           HA       ALA  50  34.523  -4.417   2.854
  409    HB1  ALA  50           HB1      ALA  50  34.657  -3.691   0.535
  410    HB2  ALA  50           HB2      ALA  50  34.231  -2.047   1.004
  411    HB3  ALA  50           HB3      ALA  50  33.054  -3.349   1.181
  412    H    ASP  51           HN       ASP  51  36.476  -3.669   0.973
  413    HA   ASP  51           HA       ASP  51  38.671  -3.104   2.729
  414    HB2  ASP  51           HB2      ASP  51  38.601  -3.411  -0.283
  415    HB3  ASP  51           HB1      ASP  51  40.072  -3.257   0.672
  416    H    TYR  52           HN       TYR  52  37.556  -1.505  -0.232
  417    HA   TYR  52           HA       TYR  52  37.540   0.640  -0.922
  418    HB2  TYR  52           HB2      TYR  52  36.241   1.091   1.132
  419    HB3  TYR  52           HB1      TYR  52  37.737   1.321   2.030
  420    HD1  TYR  52           HD1      TYR  52  36.200   2.630  -1.131
  421    HD2  TYR  52           HD2      TYR  52  38.287   3.521   2.468
  422    HE1  TYR  52           HE1      TYR  52  36.159   5.020  -1.706
  423    HE2  TYR  52           HE2      TYR  52  38.253   5.912   1.902
  424    HH   TYR  52           HH       TYR  52  38.073   7.313  -0.145
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  -6.597 -10.200  16.509
    2    H2   GLY   1           HT2      GLY   1  -5.768  -9.333  15.301
    3    H3   GLY   1           HT3      GLY   1  -6.721 -10.661  14.889
    4    HA2  GLY   1           HA1      GLY   1  -8.710  -9.546  15.501
    5    HA3  GLY   1           HA2      GLY   1  -7.771  -8.184  16.094
    6    H    SER   2           HN       SER   2  -8.106  -6.550  14.757
    7    HA   SER   2           HA       SER   2  -8.152  -7.074  11.878
    8    HB2  SER   2           HB2      SER   2  -9.032  -4.626  13.423
    9    HB3  SER   2           HB1      SER   2  -9.188  -4.855  11.680
   10    HG   SER   2           HG       SER   2 -11.041  -5.395  13.202
   11    H    VAL   3           HN       VAL   3  -6.278  -5.661  14.390
   12    HA   VAL   3           HA       VAL   3  -4.843  -3.704  13.100
   13    HB   VAL   3           HB       VAL   3  -2.927  -4.243  14.647
   14   HG11  VAL   3          HG11      VAL   3  -5.673  -3.965  15.858
   15   HG12  VAL   3          HG12      VAL   3  -4.666  -2.657  15.246
   16   HG13  VAL   3          HG13      VAL   3  -4.154  -3.575  16.661
   17   HG21  VAL   3          HG21      VAL   3  -3.331  -5.885  16.424
   18   HG22  VAL   3          HG22      VAL   3  -3.276  -6.653  14.839
   19   HG23  VAL   3          HG23      VAL   3  -4.827  -6.375  15.632
   20    H    GLU   4           HN       GLU   4  -4.305  -7.196  12.870
   21    HA   GLU   4           HA       GLU   4  -1.900  -6.834  11.345
   22    HB2  GLU   4           HB2      GLU   4  -2.152  -9.294  10.798
   23    HB3  GLU   4           HB1      GLU   4  -1.998  -8.900  12.500
   24    HG2  GLU   4           HG2      GLU   4  -4.729  -9.185  11.365
   25    HG3  GLU   4           HG1      GLU   4  -3.767 -10.640  11.617
   26    H    LYS   5           HN       LYS   5  -5.263  -7.556  10.558
   27    HA   LYS   5           HA       LYS   5  -6.480  -7.331   8.639
   28    HB2  LYS   5           HB2      LYS   5  -5.539  -5.009   8.740
   29    HB3  LYS   5           HB1      LYS   5  -4.211  -5.535   7.720
   30    HG2  LYS   5           HG2      LYS   5  -5.774  -6.004   5.907
   31    HG3  LYS   5           HG1      LYS   5  -7.125  -5.528   6.933
   32    HD2  LYS   5           HD2      LYS   5  -6.387  -3.269   6.997
   33    HD3  LYS   5           HD1      LYS   5  -4.835  -3.690   6.269
   34    HE2  LYS   5           HE2      LYS   5  -6.325  -2.623   4.646
   35    HE3  LYS   5           HE1      LYS   5  -5.951  -4.280   4.188
   36    HZ1  LYS   5           HZ1      LYS   5  -8.285  -3.758   3.871
   37    HZ2  LYS   5           HZ2      LYS   5  -8.461  -3.385   5.507
   38    HZ3  LYS   5           HZ3      LYS   5  -8.106  -4.967   5.032
   39    H    LEU   6           HN       LEU   6  -4.489  -9.418   8.951
   40    HA   LEU   6           HA       LEU   6  -3.764 -11.265   7.818
   41    HB2  LEU   6           HB2      LEU   6  -5.169 -10.051   5.434
   42    HB3  LEU   6           HB1      LEU   6  -4.608 -11.705   5.560
   43    HG   LEU   6           HG       LEU   6  -6.805 -10.458   7.215
   44   HD11  LEU   6          HD11      LEU   6  -8.281 -11.953   5.975
   45   HD12  LEU   6          HD12      LEU   6  -6.917 -12.491   4.997
   46   HD13  LEU   6          HD13      LEU   6  -7.463 -10.817   4.903
   47   HD21  LEU   6          HD21      LEU   6  -5.596 -12.145   8.482
   48   HD22  LEU   6          HD22      LEU   6  -5.762 -13.288   7.149
   49   HD23  LEU   6          HD23      LEU   6  -7.191 -12.741   8.026
   50    H    THR   7           HN       THR   7  -2.171  -8.764   7.921
   51    HA   THR   7           HA       THR   7  -0.254  -9.491   5.915
   52    HB   THR   7           HB       THR   7  -1.186  -6.636   6.281
   53    HG1  THR   7           HG1      THR   7  -2.154  -8.619   4.758
   54   HG21  THR   7          HG21      THR   7   1.203  -6.845   5.752
   55   HG22  THR   7          HG22      THR   7   0.312  -6.181   4.383
   56   HG23  THR   7          HG23      THR   7   0.813  -7.871   4.373
   57    H    ALA   8           HN       ALA   8   1.087 -10.156   7.756
   58    HA   ALA   8           HA       ALA   8   1.760  -8.087   9.696
   59    HB1  ALA   8           HB1      ALA   8   1.327 -10.390  10.523
   60    HB2  ALA   8           HB2      ALA   8   2.945  -9.815  10.914
   61    HB3  ALA   8           HB3      ALA   8   2.719 -10.959   9.596
   62    H    ASP   9           HN       ASP   9   2.825  -9.499   6.826
   63    HA   ASP   9           HA       ASP   9   5.582  -9.258   6.848
   64    HB2  ASP   9           HB2      ASP   9   3.773  -8.568   4.523
   65    HB3  ASP   9           HB1      ASP   9   5.457  -9.067   4.431
   66    H    ALA  10           HN       ALA  10   3.114  -6.869   6.400
   67    HA   ALA  10           HA       ALA  10   4.542  -4.630   5.627
   68    HB1  ALA  10           HB1      ALA  10   2.869  -3.258   6.762
   69    HB2  ALA  10           HB2      ALA  10   2.305  -4.660   7.663
   70    HB3  ALA  10           HB3      ALA  10   2.106  -4.596   5.909
   71    H    GLU  11           HN       GLU  11   4.325  -5.981   8.899
   72    HA   GLU  11           HA       GLU  11   5.898  -3.812  10.010
   73    HB2  GLU  11           HB2      GLU  11   4.863  -6.352  11.293
   74    HB3  GLU  11           HB1      GLU  11   5.689  -5.055  12.140
   75    HG2  GLU  11           HG2      GLU  11   3.904  -3.513  11.596
   76    HG3  GLU  11           HG1      GLU  11   3.075  -4.762  10.671
   77    H    LEU  12           HN       LEU  12   6.382  -6.936   8.726
   78    HA   LEU  12           HA       LEU  12   8.934  -7.495   9.907
   79    HB2  LEU  12           HB2      LEU  12   7.491  -8.594   7.492
   80    HB3  LEU  12           HB1      LEU  12   9.175  -8.957   7.748
   81    HG   LEU  12           HG       LEU  12   8.723 -10.167   9.753
   82   HD11  LEU  12          HD11      LEU  12   7.012  -8.716  10.714
   83   HD12  LEU  12          HD12      LEU  12   6.495 -10.402  10.704
   84   HD13  LEU  12          HD13      LEU  12   5.856  -9.277   9.507
   85   HD21  LEU  12          HD21      LEU  12   8.330 -11.351   7.655
   86   HD22  LEU  12          HD22      LEU  12   6.641 -10.839   7.683
   87   HD23  LEU  12          HD23      LEU  12   7.255 -11.928   8.928
   88    H    GLN  13           HN       GLN  13   7.928  -6.207   6.774
   89    HA   GLN  13           HA       GLN  13  10.522  -5.628   5.826
   90    HB2  GLN  13           HB2      GLN  13   7.879  -4.361   5.090
   91    HB3  GLN  13           HB1      GLN  13   9.379  -4.153   4.202
   92    HG2  GLN  13           HG2      GLN  13   9.426  -6.520   3.677
   93    HG3  GLN  13           HG1      GLN  13   7.951  -6.769   4.614
   94   HE21  GLN  13          HE21      GLN  13   6.002  -6.050   3.798
   95   HE22  GLN  13          HE22      GLN  13   5.800  -5.597   2.143
   96    H    ARG  14           HN       ARG  14   8.335  -3.924   7.920
   97    HA   ARG  14           HA       ARG  14   9.766  -1.446   7.699
   98    HB2  ARG  14           HB2      ARG  14   7.328  -1.522   8.298
   99    HB3  ARG  14           HB1      ARG  14   7.793  -2.173   9.871
  100    HG2  ARG  14           HG2      ARG  14   9.153  -0.163  10.266
  101    HG3  ARG  14           HG1      ARG  14   8.595   0.490   8.731
  102    HD2  ARG  14           HD2      ARG  14   6.268   0.353   9.598
  103    HD3  ARG  14           HD1      ARG  14   6.926  -0.141  11.159
  104    HE   ARG  14           HE       ARG  14   7.322   2.472   9.872
  105   HH11  ARG  14          HH11      ARG  14   7.445   0.452  12.739
  106   HH12  ARG  14          HH12      ARG  14   7.796   1.763  13.804
  107   HH21  ARG  14          HH21      ARG  14   7.804   4.207  11.281
  108   HH22  ARG  14          HH22      ARG  14   8.009   3.913  12.971
  109    H    LEU  15           HN       LEU  15  10.064  -4.324   9.665
  110    HA   LEU  15           HA       LEU  15  11.451  -3.137  11.813
  111    HB2  LEU  15           HB2      LEU  15  10.405  -5.418  11.810
  112    HB3  LEU  15           HB1      LEU  15  11.700  -5.959  10.758
  113    HG   LEU  15           HG       LEU  15  13.317  -5.353  12.566
  114   HD11  LEU  15          HD11      LEU  15  10.785  -4.981  14.154
  115   HD12  LEU  15          HD12      LEU  15  11.992  -3.749  13.785
  116   HD13  LEU  15          HD13      LEU  15  12.402  -5.097  14.845
  117   HD21  LEU  15          HD21      LEU  15  12.826  -7.321  13.940
  118   HD22  LEU  15          HD22      LEU  15  12.596  -7.657  12.224
  119   HD23  LEU  15          HD23      LEU  15  11.199  -7.385  13.264
  120    H    LYS  16           HN       LYS  16  12.407  -4.518   8.736
  121    HA   LYS  16           HA       LYS  16  15.216  -4.192   9.131
  122    HB2  LYS  16           HB2      LYS  16  14.347  -5.756   7.428
  123    HB3  LYS  16           HB1      LYS  16  13.653  -4.412   6.532
  124    HG2  LYS  16           HG2      LYS  16  15.867  -3.543   6.074
  125    HG3  LYS  16           HG1      LYS  16  16.586  -4.833   7.039
  126    HD2  LYS  16           HD2      LYS  16  15.748  -6.502   5.493
  127    HD3  LYS  16           HD1      LYS  16  14.912  -5.256   4.566
  128    HE2  LYS  16           HE2      LYS  16  17.023  -5.946   3.504
  129    HE3  LYS  16           HE1      LYS  16  17.026  -4.244   3.957
  130    HZ1  LYS  16           HZ1      LYS  16  18.325  -6.448   5.463
  131    HZ2  LYS  16           HZ2      LYS  16  18.308  -4.826   5.935
  132    HZ3  LYS  16           HZ3      LYS  16  19.115  -5.285   4.529
  133    H    ASN  17           HN       ASN  17  12.638  -2.186   8.000
  134    HA   ASN  17           HA       ASN  17  14.208  -0.068   6.906
  135    HB2  ASN  17           HB2      ASN  17  11.813  -0.208   6.369
  136    HB3  ASN  17           HB1      ASN  17  11.398   0.023   8.066
  137   HD21  ASN  17          HD21      ASN  17  12.514   1.533   5.160
  138   HD22  ASN  17          HD22      ASN  17  12.319   3.164   5.694
  139    H    GLU  18           HN       GLU  18  12.735  -0.618  10.076
  140    HA   GLU  18           HA       GLU  18  13.562   1.667  11.403
  141    HB2  GLU  18           HB2      GLU  18  13.056  -1.149  12.305
  142    HB3  GLU  18           HB1      GLU  18  13.636   0.058  13.443
  143    HG2  GLU  18           HG2      GLU  18  11.138   0.352  11.793
  144    HG3  GLU  18           HG1      GLU  18  11.176  -0.263  13.446
  145    H    ARG  19           HN       ARG  19  15.284  -1.369  10.875
  146    HA   ARG  19           HA       ARG  19  17.572  -0.618  12.369
  147    HB2  ARG  19           HB2      ARG  19  17.149  -2.984  11.855
  148    HB3  ARG  19           HB1      ARG  19  17.387  -2.666  10.140
  149    HG2  ARG  19           HG2      ARG  19  19.697  -2.161  10.483
  150    HG3  ARG  19           HG1      ARG  19  19.501  -2.226  12.235
  151    HD2  ARG  19           HD2      ARG  19  19.019  -4.593  12.126
  152    HD3  ARG  19           HD1      ARG  19  19.079  -4.554  10.366
  153    HE   ARG  19           HE       ARG  19  21.497  -3.755  10.809
  154   HH11  ARG  19          HH11      ARG  19  19.762  -6.133  12.722
  155   HH12  ARG  19          HH12      ARG  19  21.183  -7.013  13.155
  156   HH21  ARG  19          HH21      ARG  19  23.403  -4.922  11.409
  157   HH22  ARG  19          HH22      ARG  19  23.269  -6.321  12.418
  158    H    HIS  20           HN       HIS  20  16.760  -0.310   8.917
  159    HA   HIS  20           HA       HIS  20  19.235   0.710   8.055
  160    HB2  HIS  20           HB2      HIS  20  16.443   1.250   7.010
  161    HB3  HIS  20           HB1      HIS  20  17.900   1.842   6.229
  162    HD1  HIS  20           HD1      HIS  20  16.430   0.220   4.390
  163    HD2  HIS  20           HD2      HIS  20  18.868  -1.577   7.239
  164    HE1  HIS  20           HE1      HIS  20  16.895  -2.078   3.517
  165    H    GLU  21           HN       GLU  21  16.414   2.314   9.392
  166    HA   GLU  21           HA       GLU  21  17.236   4.983   9.156
  167    HB2  GLU  21           HB2      GLU  21  14.953   4.341   9.844
  168    HB3  GLU  21           HB1      GLU  21  15.572   3.711  11.364
  169    HG2  GLU  21           HG2      GLU  21  14.547   5.841  11.715
  170    HG3  GLU  21           HG1      GLU  21  16.285   5.977  11.975
  171    H    GLU  22           HN       GLU  22  17.792   2.652  11.710
  172    HA   GLU  22           HA       GLU  22  19.404   4.442  13.291
  173    HB2  GLU  22           HB2      GLU  22  18.998   1.454  13.535
  174    HB3  GLU  22           HB1      GLU  22  19.897   2.433  14.682
  175    HG2  GLU  22           HG2      GLU  22  17.854   3.749  15.117
  176    HG3  GLU  22           HG1      GLU  22  16.964   2.677  14.041
  177    H    ALA  23           HN       ALA  23  19.984   2.401  10.656
  178    HA   ALA  23           HA       ALA  23  22.791   1.904  11.184
  179    HB1  ALA  23           HB1      ALA  23  21.205   1.509   8.630
  180    HB2  ALA  23           HB2      ALA  23  21.517   0.277   9.857
  181    HB3  ALA  23           HB3      ALA  23  22.847   0.950   8.921
  182    H    GLU  24           HN       GLU  24  20.842   4.094   9.310
  183    HA   GLU  24           HA       GLU  24  22.958   5.364   7.917
  184    HB2  GLU  24           HB2      GLU  24  20.407   5.556   7.467
  185    HB3  GLU  24           HB1      GLU  24  20.424   6.782   8.730
  186    HG2  GLU  24           HG2      GLU  24  20.546   7.798   6.555
  187    HG3  GLU  24           HG1      GLU  24  22.050   8.067   7.436
  188    H    LEU  25           HN       LEU  25  21.362   5.995  10.972
  189    HA   LEU  25           HA       LEU  25  22.762   8.292  11.728
  190    HB2  LEU  25           HB2      LEU  25  21.653   6.108  13.486
  191    HB3  LEU  25           HB1      LEU  25  22.120   7.707  14.029
  192    HG   LEU  25           HG       LEU  25  19.884   7.115  12.090
  193   HD11  LEU  25          HD11      LEU  25  18.404   7.751  13.921
  194   HD12  LEU  25          HD12      LEU  25  19.794   7.912  14.994
  195   HD13  LEU  25          HD13      LEU  25  19.368   6.334  14.335
  196   HD21  LEU  25          HD21      LEU  25  19.298   9.480  12.436
  197   HD22  LEU  25          HD22      LEU  25  20.879   9.291  11.682
  198   HD23  LEU  25          HD23      LEU  25  20.762   9.690  13.396
  199    H    GLU  26           HN       GLU  26  23.541   4.855  12.188
  200    HA   GLU  26           HA       GLU  26  25.837   5.268  13.770
  201    HB2  GLU  26           HB2      GLU  26  25.057   2.954  11.992
  202    HB3  GLU  26           HB1      GLU  26  26.478   2.943  13.025
  203    HG2  GLU  26           HG2      GLU  26  23.602   3.130  13.913
  204    HG3  GLU  26           HG1      GLU  26  24.691   1.760  14.100
  205    H    ARG  27           HN       ARG  27  25.393   4.970  10.278
  206    HA   ARG  27           HA       ARG  27  28.189   5.124   9.702
  207    HB2  ARG  27           HB2      ARG  27  26.507   4.180   8.092
  208    HB3  ARG  27           HB1      ARG  27  25.921   5.817   7.813
  209    HG2  ARG  27           HG2      ARG  27  28.018   6.472   6.864
  210    HG3  ARG  27           HG1      ARG  27  28.754   4.934   7.316
  211    HD2  ARG  27           HD2      ARG  27  26.528   5.349   5.326
  212    HD3  ARG  27           HD1      ARG  27  28.200   4.939   4.955
  213    HE   ARG  27           HE       ARG  27  26.124   3.167   5.910
  214   HH11  ARG  27          HH11      ARG  27  29.588   3.607   5.478
  215   HH12  ARG  27          HH12      ARG  27  29.943   1.919   5.534
  216   HH21  ARG  27          HH21      ARG  27  26.594   0.926   5.965
  217   HH22  ARG  27          HH22      ARG  27  28.228   0.379   5.806
  218    H    LEU  28           HN       LEU  28  25.758   7.431  10.386
  219    HA   LEU  28           HA       LEU  28  27.172   9.724   9.362
  220    HB2  LEU  28           HB2      LEU  28  24.700   9.734   9.722
  221    HB3  LEU  28           HB1      LEU  28  24.970   9.610  11.450
  222    HG   LEU  28           HG       LEU  28  26.063  11.813  11.425
  223   HD11  LEU  28          HD11      LEU  28  25.847  13.218   9.414
  224   HD12  LEU  28          HD12      LEU  28  25.280  11.810   8.517
  225   HD13  LEU  28          HD13      LEU  28  26.917  11.838   9.171
  226   HD21  LEU  28          HD21      LEU  28  23.311  11.759  10.191
  227   HD22  LEU  28          HD22      LEU  28  24.034  13.127  11.039
  228   HD23  LEU  28          HD23      LEU  28  23.679  11.635  11.912
  229    H    LYS  29           HN       LYS  29  27.196   7.798  12.181
  230    HA   LYS  29           HA       LYS  29  28.715   9.660  13.804
  231    HB2  LYS  29           HB2      LYS  29  27.093   8.152  14.886
  232    HB3  LYS  29           HB1      LYS  29  27.952   6.760  14.250
  233    HG2  LYS  29           HG2      LYS  29  29.886   7.315  15.624
  234    HG3  LYS  29           HG1      LYS  29  29.034   8.725  16.258
  235    HD2  LYS  29           HD2      LYS  29  28.937   6.782  17.791
  236    HD3  LYS  29           HD1      LYS  29  27.341   7.302  17.251
  237    HE2  LYS  29           HE2      LYS  29  27.338   5.509  15.568
  238    HE3  LYS  29           HE1      LYS  29  28.923   4.985  16.132
  239    HZ1  LYS  29           HZ1      LYS  29  26.521   5.093  17.851
  240    HZ2  LYS  29           HZ2      LYS  29  27.998   4.347  18.202
  241    HZ3  LYS  29           HZ3      LYS  29  26.984   3.715  16.994
  242    H    SER  30           HN       SER  30  29.226   7.210  11.513
  243    HA   SER  30           HA       SER  30  31.668   6.100  12.203
  244    HB2  SER  30           HB2      SER  30  30.352   5.250  10.320
  245    HB3  SER  30           HB1      SER  30  30.648   6.737   9.416
  246    HG   SER  30           HG       SER  30  32.160   4.527   9.661
  247    H    GLU  31           HN       GLU  31  31.108   9.015  10.230
  248    HA   GLU  31           HA       GLU  31  33.791   9.630   9.747
  249    HB2  GLU  31           HB2      GLU  31  31.836  10.672   8.613
  250    HB3  GLU  31           HB1      GLU  31  31.532  11.597  10.076
  251    HG2  GLU  31           HG2      GLU  31  33.712  12.663   9.863
  252    HG3  GLU  31           HG1      GLU  31  34.022  11.733   8.398
  253    H    ARG  32           HN       ARG  32  31.658  10.642  12.374
  254    HA   ARG  32           HA       ARG  32  33.579  12.245  13.673
  255    HB2  ARG  32           HB2      ARG  32  31.217  12.539  14.144
  256    HB3  ARG  32           HB1      ARG  32  31.098  10.895  14.754
  257    HG2  ARG  32           HG2      ARG  32  32.345  11.407  16.682
  258    HG3  ARG  32           HG1      ARG  32  32.906  12.936  16.009
  259    HD2  ARG  32           HD2      ARG  32  31.199  13.335  17.676
  260    HD3  ARG  32           HD1      ARG  32  30.611  13.794  16.082
  261    HE   ARG  32           HE       ARG  32  29.663  11.302  16.312
  262   HH11  ARG  32          HH11      ARG  32  29.607  14.022  18.523
  263   HH12  ARG  32          HH12      ARG  32  28.114  13.575  19.266
  264   HH21  ARG  32          HH21      ARG  32  27.635  10.693  17.301
  265   HH22  ARG  32          HH22      ARG  32  27.000  11.671  18.577
  266    H    HIS  33           HN       HIS  33  32.775   8.847  13.827
  267    HA   HIS  33           HA       HIS  33  34.204   8.166  16.140
  268    HB2  HIS  33           HB2      HIS  33  32.587   6.646  15.092
  269    HB3  HIS  33           HB1      HIS  33  33.629   6.487  13.686
  270    HD1  HIS  33           HD1      HIS  33  33.340   5.443  17.272
  271    HD2  HIS  33           HD2      HIS  33  35.729   4.665  13.967
  272    HE1  HIS  33           HE1      HIS  33  34.735   3.463  17.911
  273    H    ASP  34           HN       ASP  34  35.200   8.208  12.738
  274    HA   ASP  34           HA       ASP  34  37.817   7.247  13.199
  275    HB2  ASP  34           HB2      ASP  34  36.767   8.936  10.915
  276    HB3  ASP  34           HB1      ASP  34  38.353   8.184  10.953
  277    H    HIS  35           HN       HIS  35  36.570  10.557  12.822
  278    HA   HIS  35           HA       HIS  35  39.150  11.723  13.209
  279    HB2  HIS  35           HB2      HIS  35  36.417  13.008  13.214
  280    HB3  HIS  35           HB1      HIS  35  37.940  13.887  13.266
  281    HD2  HIS  35           HD2      HIS  35  35.560  13.510  10.675
  282    HE1  HIS  35           HE1      HIS  35  39.127  12.430   8.659
  283    HE2  HIS  35           HE2      HIS  35  36.840  13.432   8.437
  284    H    ASP  36           HN       ASP  36  36.787  10.552  15.315
  285    HA   ASP  36           HA       ASP  36  37.272  12.198  17.587
  286    HB2  ASP  36           HB2      ASP  36  35.280  10.836  17.600
  287    HB3  ASP  36           HB1      ASP  36  36.220   9.361  17.382
  288    H    LYS  37           HN       LYS  37  38.755   9.332  16.312
  289    HA   LYS  37           HA       LYS  37  40.696   9.377  18.510
  290    HB2  LYS  37           HB2      LYS  37  39.940   7.136  16.628
  291    HB3  LYS  37           HB1      LYS  37  41.169   7.029  17.886
  292    HG2  LYS  37           HG2      LYS  37  39.602   7.202  19.609
  293    HG3  LYS  37           HG1      LYS  37  38.356   7.827  18.533
  294    HD2  LYS  37           HD2      LYS  37  38.241   5.636  17.430
  295    HD3  LYS  37           HD1      LYS  37  39.459   5.023  18.552
  296    HE2  LYS  37           HE2      LYS  37  37.165   4.425  19.239
  297    HE3  LYS  37           HE1      LYS  37  37.988   5.426  20.432
  298    HZ1  LYS  37           HZ1      LYS  37  35.688   6.130  20.063
  299    HZ2  LYS  37           HZ2      LYS  37  36.013   6.431  18.440
  300    HZ3  LYS  37           HZ3      LYS  37  36.763   7.361  19.632
  301    H    LYS  38           HN       LYS  38  40.295  10.560  15.602
  302    HA   LYS  38           HA       LYS  38  41.574  11.564  14.054
  303    HB2  LYS  38           HB2      LYS  38  43.854  11.009  15.964
  304    HB3  LYS  38           HB1      LYS  38  43.933  12.086  14.580
  305    HG2  LYS  38           HG2      LYS  38  42.115  12.419  16.960
  306    HG3  LYS  38           HG1      LYS  38  43.628  13.284  16.693
  307    HD2  LYS  38           HD2      LYS  38  41.239  13.392  14.847
  308    HD3  LYS  38           HD1      LYS  38  41.603  14.591  16.085
  309    HE2  LYS  38           HE2      LYS  38  43.714  15.111  14.989
  310    HE3  LYS  38           HE1      LYS  38  43.402  13.874  13.772
  311    HZ1  LYS  38           HZ1      LYS  38  41.476  15.110  13.042
  312    HZ2  LYS  38           HZ2      LYS  38  42.849  16.090  12.978
  313    HZ3  LYS  38           HZ3      LYS  38  41.732  16.281  14.234
  314    H    GLU  39           HN       GLU  39  43.461   8.785  15.162
  315    HA   GLU  39           HA       GLU  39  44.508   8.381  12.491
  316    HB2  GLU  39           HB2      GLU  39  45.958   6.727  13.451
  317    HB3  GLU  39           HB1      GLU  39  45.944   8.130  14.506
  318    HG2  GLU  39           HG2      GLU  39  44.282   6.891  15.964
  319    HG3  GLU  39           HG1      GLU  39  44.565   5.491  14.940
  320    H    ALA  40           HN       ALA  40  41.673   7.531  13.906
  321    HA   ALA  40           HA       ALA  40  40.088   5.902  13.599
  322    HB1  ALA  40           HB1      ALA  40  39.857   5.084  11.305
  323    HB2  ALA  40           HB2      ALA  40  41.472   5.681  10.926
  324    HB3  ALA  40           HB3      ALA  40  40.189   6.815  11.341
  325    H    GLU  41           HN       GLU  41  41.789   4.809  15.282
  326    HA   GLU  41           HA       GLU  41  43.572   2.859  14.720
  327    HB2  GLU  41           HB2      GLU  41  41.561   2.827  16.957
  328    HB3  GLU  41           HB1      GLU  41  43.056   1.907  16.908
  329    HG2  GLU  41           HG2      GLU  41  44.318   4.016  16.834
  330    HG3  GLU  41           HG1      GLU  41  42.799   4.898  16.974
  331    H    ARG  42           HN       ARG  42  40.059   2.476  14.550
  332    HA   ARG  42           HA       ARG  42  40.309   0.110  13.120
  333    HB2  ARG  42           HB2      ARG  42  39.007  -1.287  14.769
  334    HB3  ARG  42           HB1      ARG  42  40.672  -0.967  15.227
  335    HG2  ARG  42           HG2      ARG  42  39.868   0.842  16.712
  336    HG3  ARG  42           HG1      ARG  42  38.212   0.390  16.309
  337    HD2  ARG  42           HD2      ARG  42  40.243  -1.463  17.531
  338    HD3  ARG  42           HD1      ARG  42  39.043  -0.570  18.455
  339    HE   ARG  42           HE       ARG  42  38.474  -2.715  16.517
  340   HH11  ARG  42          HH11      ARG  42  37.486  -0.688  19.208
  341   HH12  ARG  42          HH12      ARG  42  36.097  -1.649  19.587
  342   HH21  ARG  42          HH21      ARG  42  36.616  -3.995  17.022
  343   HH22  ARG  42          HH22      ARG  42  35.598  -3.527  18.342
  344    H    LYS  43           HN       LYS  43  38.806   0.253  11.830
  345    HA   LYS  43           HA       LYS  43  36.509   1.959  12.212
  346    HB2  LYS  43           HB2      LYS  43  37.177   0.234   9.829
  347    HB3  LYS  43           HB1      LYS  43  36.006   1.545   9.885
  348    HG2  LYS  43           HG2      LYS  43  37.902   3.100  10.400
  349    HG3  LYS  43           HG1      LYS  43  39.001   1.756  10.091
  350    HD2  LYS  43           HD2      LYS  43  38.888   2.978   8.072
  351    HD3  LYS  43           HD1      LYS  43  37.884   1.546   7.827
  352    HE2  LYS  43           HE2      LYS  43  36.720   3.453   6.950
  353    HE3  LYS  43           HE1      LYS  43  35.892   2.917   8.408
  354    HZ1  LYS  43           HZ1      LYS  43  36.093   5.300   8.411
  355    HZ2  LYS  43           HZ2      LYS  43  37.756   5.214   8.192
  356    HZ3  LYS  43           HZ3      LYS  43  37.071   4.692   9.641
  357    H    ALA  44           HN       ALA  44  37.257  -1.305  12.745
  358    HA   ALA  44           HA       ALA  44  34.985  -2.688  12.044
  359    HB1  ALA  44           HB1      ALA  44  37.046  -3.767  12.828
  360    HB2  ALA  44           HB2      ALA  44  35.627  -4.338  13.696
  361    HB3  ALA  44           HB3      ALA  44  36.717  -3.190  14.466
  362    H    LEU  45           HN       LEU  45  35.086  -0.179  14.327
  363    HA   LEU  45           HA       LEU  45  33.011  -1.361  15.997
  364    HB2  LEU  45           HB2      LEU  45  35.058  -0.098  16.931
  365    HB3  LEU  45           HB1      LEU  45  34.273   1.357  16.359
  366    HG   LEU  45           HG       LEU  45  32.876  -0.500  18.280
  367   HD11  LEU  45          HD11      LEU  45  34.757   1.750  18.976
  368   HD12  LEU  45          HD12      LEU  45  35.009   0.035  19.298
  369   HD13  LEU  45          HD13      LEU  45  33.707   0.903  20.110
  370   HD21  LEU  45          HD21      LEU  45  31.685   1.542  18.909
  371   HD22  LEU  45          HD22      LEU  45  31.521   1.220  17.184
  372   HD23  LEU  45          HD23      LEU  45  32.638   2.464  17.746
  373    H    GLU  46           HN       GLU  46  33.569   1.071  13.532
  374    HA   GLU  46           HA       GLU  46  30.921   2.205  13.855
  375    HB2  GLU  46           HB2      GLU  46  31.516   3.662  11.931
  376    HB3  GLU  46           HB1      GLU  46  32.667   3.769  13.246
  377    HG2  GLU  46           HG2      GLU  46  33.965   3.786  11.297
  378    HG3  GLU  46           HG1      GLU  46  34.111   2.145  11.914
  379    H    ASP  47           HN       ASP  47  32.511  -0.150  11.983
  380    HA   ASP  47           HA       ASP  47  30.850  -0.453   9.794
  381    HB2  ASP  47           HB2      ASP  47  32.870  -1.794  10.016
  382    HB3  ASP  47           HB1      ASP  47  32.167  -2.669  11.376
  383    H    LYS  48           HN       LYS  48  30.428  -1.960  12.990
  384    HA   LYS  48           HA       LYS  48  28.113  -3.281  12.592
  385    HB2  LYS  48           HB2      LYS  48  29.383  -3.338  14.700
  386    HB3  LYS  48           HB1      LYS  48  28.838  -1.708  15.078
  387    HG2  LYS  48           HG2      LYS  48  26.589  -2.453  15.345
  388    HG3  LYS  48           HG1      LYS  48  26.993  -4.054  14.727
  389    HD2  LYS  48           HD2      LYS  48  26.851  -4.192  17.117
  390    HD3  LYS  48           HD1      LYS  48  28.548  -4.337  16.657
  391    HE2  LYS  48           HE2      LYS  48  28.458  -2.888  18.539
  392    HE3  LYS  48           HE1      LYS  48  28.777  -1.878  17.133
  393    HZ1  LYS  48           HZ1      LYS  48  26.139  -2.256  18.439
  394    HZ2  LYS  48           HZ2      LYS  48  26.423  -1.298  17.078
  395    HZ3  LYS  48           HZ3      LYS  48  27.118  -0.884  18.559
  396    H    LEU  49           HN       LEU  49  25.991  -2.530  11.895
  397    HA   LEU  49           HA       LEU  49  25.432   0.331  12.179
  398    HB2  LEU  49           HB2      LEU  49  24.207  -1.724  10.336
  399    HB3  LEU  49           HB1      LEU  49  23.832  -0.016  10.362
  400    HG   LEU  49           HG       LEU  49  26.540  -1.149   9.665
  401   HD11  LEU  49          HD11      LEU  49  25.984  -0.565   7.361
  402   HD12  LEU  49          HD12      LEU  49  24.359  -0.105   7.868
  403   HD13  LEU  49          HD13      LEU  49  24.882  -1.783   8.003
  404   HD21  LEU  49          HD21      LEU  49  26.653   1.109  10.569
  405   HD22  LEU  49          HD22      LEU  49  25.409   1.641   9.438
  406   HD23  LEU  49          HD23      LEU  49  26.983   1.121   8.836
  407    H    ALA  50           HN       ALA  50  25.053  -2.027  13.991
  408    HA   ALA  50           HA       ALA  50  23.026  -1.419  15.642
  409    HB1  ALA  50           HB1      ALA  50  21.027  -2.734  15.042
  410    HB2  ALA  50           HB2      ALA  50  21.782  -3.174  13.509
  411    HB3  ALA  50           HB3      ALA  50  21.376  -1.493  13.842
  412    H    ASP  51           HN       ASP  51  22.491  -4.556  14.295
  413    HA   ASP  51           HA       ASP  51  22.777  -6.652  15.076
  414    HB2  ASP  51           HB2      ASP  51  25.467  -5.523  15.886
  415    HB3  ASP  51           HB1      ASP  51  25.065  -7.235  15.946
  416    H    TYR  52           HN       TYR  52  24.059  -7.693  17.333
  417    HA   TYR  52           HA       TYR  52  23.782  -8.124  19.511
  418    HB2  TYR  52           HB2      TYR  52  24.622  -5.783  19.801
  419    HB3  TYR  52           HB1      TYR  52  22.956  -5.224  19.803
  420    HD1  TYR  52           HD1      TYR  52  24.915  -7.902  21.527
  421    HD2  TYR  52           HD2      TYR  52  22.145  -4.697  21.898
  422    HE1  TYR  52           HE1      TYR  52  24.827  -8.269  23.950
  423    HE2  TYR  52           HE2      TYR  52  22.049  -5.059  24.329
  424    HH   TYR  52           HH       TYR  52  24.277  -7.060  25.967
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -2.971  -5.742  16.286
    2    H2   GLY   1           HT2      GLY   1  -4.332  -6.406  17.044
    3    H3   GLY   1           HT3      GLY   1  -4.264  -4.752  16.721
    4    HA2  GLY   1           HA1      GLY   1  -4.286  -6.860  14.655
    5    HA3  GLY   1           HA2      GLY   1  -5.703  -5.957  15.171
    6    H    SER   2           HN       SER   2  -2.480  -5.617  13.751
    7    HA   SER   2           HA       SER   2  -3.217  -2.987  12.713
    8    HB2  SER   2           HB2      SER   2  -0.585  -4.481  12.599
    9    HB3  SER   2           HB1      SER   2  -0.849  -2.823  12.060
   10    HG   SER   2           HG       SER   2  -0.032  -3.404  14.351
   11    H    VAL   3           HN       VAL   3  -4.355  -5.596  11.760
   12    HA   VAL   3           HA       VAL   3  -4.870  -6.705   9.835
   13    HB   VAL   3           HB       VAL   3  -3.845  -4.280   8.325
   14   HG11  VAL   3          HG11      VAL   3  -5.632  -4.839   6.743
   15   HG12  VAL   3          HG12      VAL   3  -6.102  -6.205   7.754
   16   HG13  VAL   3          HG13      VAL   3  -4.524  -6.196   6.965
   17   HG21  VAL   3          HG21      VAL   3  -6.528  -4.575   9.683
   18   HG22  VAL   3          HG22      VAL   3  -6.069  -3.267   8.593
   19   HG23  VAL   3          HG23      VAL   3  -5.246  -3.454  10.142
   20    H    GLU   4           HN       GLU   4  -2.310  -7.137  11.016
   21    HA   GLU   4           HA       GLU   4  -0.341  -7.116   8.903
   22    HB2  GLU   4           HB2      GLU   4   1.202  -7.875  10.606
   23    HB3  GLU   4           HB1      GLU   4   0.291  -6.506  11.213
   24    HG2  GLU   4           HG2      GLU   4  -0.299  -9.389  11.874
   25    HG3  GLU   4           HG1      GLU   4   0.645  -8.294  12.877
   26    H    LYS   5           HN       LYS   5  -2.650  -9.201  10.304
   27    HA   LYS   5           HA       LYS   5  -1.509 -11.675   9.667
   28    HB2  LYS   5           HB2      LYS   5  -4.397 -10.831   9.861
   29    HB3  LYS   5           HB1      LYS   5  -3.862 -12.505   9.731
   30    HG2  LYS   5           HG2      LYS   5  -2.762 -12.416  11.819
   31    HG3  LYS   5           HG1      LYS   5  -2.920 -10.663  11.905
   32    HD2  LYS   5           HD2      LYS   5  -5.336 -10.883  12.108
   33    HD3  LYS   5           HD1      LYS   5  -5.194 -12.639  11.981
   34    HE2  LYS   5           HE2      LYS   5  -5.428 -11.835  14.316
   35    HE3  LYS   5           HE1      LYS   5  -3.946 -12.742  14.030
   36    HZ1  LYS   5           HZ1      LYS   5  -4.119  -9.776  14.051
   37    HZ2  LYS   5           HZ2      LYS   5  -2.706 -10.698  13.939
   38    HZ3  LYS   5           HZ3      LYS   5  -3.616 -10.718  15.360
   39    H    LEU   6           HN       LEU   6  -2.988  -9.258   7.680
   40    HA   LEU   6           HA       LEU   6  -3.495 -10.924   5.423
   41    HB2  LEU   6           HB2      LEU   6  -4.613  -8.744   5.705
   42    HB3  LEU   6           HB1      LEU   6  -3.066  -7.925   5.583
   43    HG   LEU   6           HG       LEU   6  -2.870  -8.811   3.251
   44   HD11  LEU   6          HD11      LEU   6  -4.404 -10.689   3.460
   45   HD12  LEU   6          HD12      LEU   6  -4.888  -9.611   2.153
   46   HD13  LEU   6          HD13      LEU   6  -5.750  -9.575   3.690
   47   HD21  LEU   6          HD21      LEU   6  -4.424  -7.181   2.309
   48   HD22  LEU   6          HD22      LEU   6  -3.593  -6.528   3.722
   49   HD23  LEU   6          HD23      LEU   6  -5.262  -7.081   3.858
   50    H    THR   7           HN       THR   7  -0.766  -8.954   6.511
   51    HA   THR   7           HA       THR   7   0.967 -10.346   4.710
   52    HB   THR   7           HB       THR   7   0.855  -7.322   4.760
   53    HG1  THR   7           HG1      THR   7  -0.707  -8.918   3.461
   54   HG21  THR   7          HG21      THR   7   3.112  -8.245   4.435
   55   HG22  THR   7          HG22      THR   7   2.516  -7.484   2.959
   56   HG23  THR   7          HG23      THR   7   2.512  -9.241   3.109
   57    H    ALA   8           HN       ALA   8   2.034 -11.169   6.640
   58    HA   ALA   8           HA       ALA   8   2.729  -9.545   8.843
   59    HB1  ALA   8           HB1      ALA   8   4.171 -11.384   9.553
   60    HB2  ALA   8           HB2      ALA   8   4.027 -12.144   7.974
   61    HB3  ALA   8           HB3      ALA   8   2.612 -12.006   9.023
   62    H    ASP   9           HN       ASP   9   4.125 -10.159   5.802
   63    HA   ASP   9           HA       ASP   9   6.794  -9.428   6.190
   64    HB2  ASP   9           HB2      ASP   9   5.020  -9.075   3.763
   65    HB3  ASP   9           HB1      ASP   9   6.739  -8.707   3.763
   66    H    ALA  10           HN       ALA  10   3.908  -7.481   5.826
   67    HA   ALA  10           HA       ALA  10   4.942  -4.967   5.413
   68    HB1  ALA  10           HB1      ALA  10   2.659  -5.632   7.281
   69    HB2  ALA  10           HB2      ALA  10   2.527  -5.401   5.534
   70    HB3  ALA  10           HB3      ALA  10   2.995  -4.058   6.570
   71    H    GLU  11           HN       GLU  11   4.568  -6.557   8.595
   72    HA   GLU  11           HA       GLU  11   5.733  -4.347  10.008
   73    HB2  GLU  11           HB2      GLU  11   5.224  -7.188  10.911
   74    HB3  GLU  11           HB1      GLU  11   5.782  -5.896  11.957
   75    HG2  GLU  11           HG2      GLU  11   3.698  -4.656  11.468
   76    HG3  GLU  11           HG1      GLU  11   3.131  -6.038  10.533
   77    H    LEU  12           HN       LEU  12   6.942  -7.005   8.322
   78    HA   LEU  12           HA       LEU  12   9.450  -7.228   9.758
   79    HB2  LEU  12           HB2      LEU  12   8.389  -8.494   7.236
   80    HB3  LEU  12           HB1      LEU  12  10.097  -8.533   7.581
   81    HG   LEU  12           HG       LEU  12   9.806  -9.893   9.500
   82   HD11  LEU  12          HD11      LEU  12   7.864  -8.789  10.479
   83   HD12  LEU  12          HD12      LEU  12   7.626 -10.535  10.391
   84   HD13  LEU  12          HD13      LEU  12   6.833  -9.476   9.225
   85   HD21  LEU  12          HD21      LEU  12   8.633 -11.836   8.592
   86   HD22  LEU  12          HD22      LEU  12   9.660 -11.066   7.383
   87   HD23  LEU  12          HD23      LEU  12   7.914 -10.814   7.348
   88    H    GLN  13           HN       GLN  13   8.346  -5.899   6.696
   89    HA   GLN  13           HA       GLN  13  10.853  -4.852   5.903
   90    HB2  GLN  13           HB2      GLN  13   8.046  -4.051   5.119
   91    HB3  GLN  13           HB1      GLN  13   9.501  -3.416   4.373
   92    HG2  GLN  13           HG2      GLN  13  10.108  -5.569   3.542
   93    HG3  GLN  13           HG1      GLN  13   8.788  -6.331   4.430
   94   HE21  GLN  13          HE21      GLN  13   7.986  -7.181   2.489
   95   HE22  GLN  13          HE22      GLN  13   7.107  -6.184   1.375
   96    H    ARG  14           HN       ARG  14   8.215  -3.578   7.835
   97    HA   ARG  14           HA       ARG  14   9.161  -0.910   7.991
   98    HB2  ARG  14           HB2      ARG  14   7.409  -2.495   9.887
   99    HB3  ARG  14           HB1      ARG  14   7.783  -0.795  10.104
  100    HG2  ARG  14           HG2      ARG  14   6.682  -0.232   8.040
  101    HG3  ARG  14           HG1      ARG  14   6.409  -1.938   7.683
  102    HD2  ARG  14           HD2      ARG  14   4.406  -0.812   8.595
  103    HD3  ARG  14           HD1      ARG  14   4.961  -2.152   9.599
  104    HE   ARG  14           HE       ARG  14   5.904   0.499  10.326
  105   HH11  ARG  14          HH11      ARG  14   3.543  -2.039  10.886
  106   HH12  ARG  14          HH12      ARG  14   3.167  -1.533  12.495
  107   HH21  ARG  14          HH21      ARG  14   5.402   1.198  12.464
  108   HH22  ARG  14          HH22      ARG  14   4.243   0.331  13.402
  109    H    LEU  15           HN       LEU  15   9.616  -3.730  10.082
  110    HA   LEU  15           HA       LEU  15  11.303  -2.455  11.953
  111    HB2  LEU  15           HB2      LEU  15  10.136  -4.555  12.420
  112    HB3  LEU  15           HB1      LEU  15  11.077  -5.371  11.192
  113    HG   LEU  15           HG       LEU  15  13.116  -5.031  12.526
  114   HD11  LEU  15          HD11      LEU  15  11.245  -3.880  14.594
  115   HD12  LEU  15          HD12      LEU  15  12.469  -2.985  13.695
  116   HD13  LEU  15          HD13      LEU  15  12.954  -4.244  14.831
  117   HD21  LEU  15          HD21      LEU  15  10.820  -6.356  13.960
  118   HD22  LEU  15          HD22      LEU  15  12.521  -6.591  14.345
  119   HD23  LEU  15          HD23      LEU  15  11.896  -7.096  12.775
  120    H    LYS  16           HN       LYS  16  11.901  -4.188   8.961
  121    HA   LYS  16           HA       LYS  16  14.730  -4.290   9.157
  122    HB2  LYS  16           HB2      LYS  16  13.460  -5.714   7.583
  123    HB3  LYS  16           HB1      LYS  16  13.007  -4.288   6.657
  124    HG2  LYS  16           HG2      LYS  16  15.333  -3.910   6.077
  125    HG3  LYS  16           HG1      LYS  16  15.812  -5.310   7.043
  126    HD2  LYS  16           HD2      LYS  16  14.492  -6.770   5.604
  127    HD3  LYS  16           HD1      LYS  16  13.967  -5.380   4.655
  128    HE2  LYS  16           HE2      LYS  16  16.811  -6.328   4.967
  129    HE3  LYS  16           HE1      LYS  16  15.789  -6.604   3.558
  130    HZ1  LYS  16           HZ1      LYS  16  16.683  -3.961   4.570
  131    HZ2  LYS  16           HZ2      LYS  16  15.672  -4.201   3.240
  132    HZ3  LYS  16           HZ3      LYS  16  17.271  -4.747   3.197
  133    H    ASN  17           HN       ASN  17  12.502  -1.902   7.901
  134    HA   ASN  17           HA       ASN  17  14.586  -0.243   6.794
  135    HB2  ASN  17           HB2      ASN  17  12.354  -0.152   5.784
  136    HB3  ASN  17           HB1      ASN  17  11.664   0.396   7.308
  137   HD21  ASN  17          HD21      ASN  17  13.736   1.249   4.635
  138   HD22  ASN  17          HD22      ASN  17  13.657   2.961   4.871
  139    H    GLU  18           HN       GLU  18  12.684  -0.340   9.744
  140    HA   GLU  18           HA       GLU  18  13.604   2.099  10.810
  141    HB2  GLU  18           HB2      GLU  18  11.627   0.862  11.657
  142    HB3  GLU  18           HB1      GLU  18  12.697  -0.377  12.293
  143    HG2  GLU  18           HG2      GLU  18  13.616   1.112  13.887
  144    HG3  GLU  18           HG1      GLU  18  12.846   2.504  13.127
  145    H    ARG  19           HN       ARG  19  14.833  -1.197  10.947
  146    HA   ARG  19           HA       ARG  19  17.004  -0.660  12.694
  147    HB2  ARG  19           HB2      ARG  19  16.222  -2.980  12.143
  148    HB3  ARG  19           HB1      ARG  19  16.890  -2.789  10.526
  149    HG2  ARG  19           HG2      ARG  19  19.125  -2.535  11.488
  150    HG3  ARG  19           HG1      ARG  19  18.447  -2.738  13.105
  151    HD2  ARG  19           HD2      ARG  19  17.626  -4.976  12.430
  152    HD3  ARG  19           HD1      ARG  19  18.420  -4.766  10.871
  153    HE   ARG  19           HE       ARG  19  20.290  -4.368  12.938
  154   HH11  ARG  19          HH11      ARG  19  18.476  -6.945  11.405
  155   HH12  ARG  19          HH12      ARG  19  19.621  -8.177  11.807
  156   HH21  ARG  19          HH21      ARG  19  21.818  -5.995  13.469
  157   HH22  ARG  19          HH22      ARG  19  21.539  -7.627  12.977
  158    H    HIS  20           HN       HIS  20  16.639  -0.543   9.186
  159    HA   HIS  20           HA       HIS  20  19.320   0.163   8.596
  160    HB2  HIS  20           HB2      HIS  20  17.673  -0.623   6.858
  161    HB3  HIS  20           HB1      HIS  20  16.863   0.938   6.979
  162    HD1  HIS  20           HD1      HIS  20  17.798   2.815   5.571
  163    HD2  HIS  20           HD2      HIS  20  20.352  -0.458   5.784
  164    HE1  HIS  20           HE1      HIS  20  19.636   3.298   3.946
  165    H    GLU  21           HN       GLU  21  16.522   2.017   9.530
  166    HA   GLU  21           HA       GLU  21  17.495   4.613   9.101
  167    HB2  GLU  21           HB2      GLU  21  15.134   3.963   9.791
  168    HB3  GLU  21           HB1      GLU  21  15.742   3.772  11.429
  169    HG2  GLU  21           HG2      GLU  21  14.703   5.881  11.265
  170    HG3  GLU  21           HG1      GLU  21  16.445   6.152  11.346
  171    H    GLU  22           HN       GLU  22  17.847   2.440  11.846
  172    HA   GLU  22           HA       GLU  22  19.473   4.173  13.456
  173    HB2  GLU  22           HB2      GLU  22  18.258   2.295  14.482
  174    HB3  GLU  22           HB1      GLU  22  19.188   1.146  13.529
  175    HG2  GLU  22           HG2      GLU  22  20.047   1.141  15.742
  176    HG3  GLU  22           HG1      GLU  22  21.231   1.926  14.705
  177    H    ALA  23           HN       ALA  23  20.045   2.316  10.709
  178    HA   ALA  23           HA       ALA  23  22.858   1.813  11.188
  179    HB1  ALA  23           HB1      ALA  23  21.545   0.231   9.825
  180    HB2  ALA  23           HB2      ALA  23  22.908   0.907   8.936
  181    HB3  ALA  23           HB3      ALA  23  21.281   1.502   8.626
  182    H    GLU  24           HN       GLU  24  20.823   4.082   9.496
  183    HA   GLU  24           HA       GLU  24  22.894   5.486   8.169
  184    HB2  GLU  24           HB2      GLU  24  20.143   6.420   9.040
  185    HB3  GLU  24           HB1      GLU  24  21.222   7.321   7.988
  186    HG2  GLU  24           HG2      GLU  24  20.078   4.606   7.392
  187    HG3  GLU  24           HG1      GLU  24  19.499   6.137   6.737
  188    H    LEU  25           HN       LEU  25  21.239   5.922  11.251
  189    HA   LEU  25           HA       LEU  25  22.635   8.162  12.170
  190    HB2  LEU  25           HB2      LEU  25  21.561   5.824  13.754
  191    HB3  LEU  25           HB1      LEU  25  22.079   7.347  14.446
  192    HG   LEU  25           HG       LEU  25  19.771   7.013  12.536
  193   HD11  LEU  25          HD11      LEU  25  19.313   5.990  14.695
  194   HD12  LEU  25          HD12      LEU  25  18.368   7.463  14.482
  195   HD13  LEU  25          HD13      LEU  25  19.800   7.475  15.511
  196   HD21  LEU  25          HD21      LEU  25  19.251   9.332  13.153
  197   HD22  LEU  25          HD22      LEU  25  20.819   9.205  12.357
  198   HD23  LEU  25          HD23      LEU  25  20.732   9.403  14.108
  199    H    GLU  26           HN       GLU  26  23.389   4.709  12.391
  200    HA   GLU  26           HA       GLU  26  25.762   4.945  13.858
  201    HB2  GLU  26           HB2      GLU  26  24.318   2.869  13.259
  202    HB3  GLU  26           HB1      GLU  26  25.287   2.816  11.794
  203    HG2  GLU  26           HG2      GLU  26  26.190   1.324  13.452
  204    HG3  GLU  26           HG1      GLU  26  27.315   2.653  13.156
  205    H    ARG  27           HN       ARG  27  25.064   5.084  10.415
  206    HA   ARG  27           HA       ARG  27  27.795   5.127   9.589
  207    HB2  ARG  27           HB2      ARG  27  26.064   4.375   8.024
  208    HB3  ARG  27           HB1      ARG  27  25.311   5.963   8.062
  209    HG2  ARG  27           HG2      ARG  27  26.927   6.916   6.755
  210    HG3  ARG  27           HG1      ARG  27  28.155   5.741   7.227
  211    HD2  ARG  27           HD2      ARG  27  27.414   5.468   4.889
  212    HD3  ARG  27           HD1      ARG  27  27.116   4.040   5.874
  213    HE   ARG  27           HE       ARG  27  24.749   5.123   6.039
  214   HH11  ARG  27          HH11      ARG  27  26.836   5.118   3.217
  215   HH12  ARG  27          HH12      ARG  27  25.526   5.067   2.094
  216   HH21  ARG  27          HH21      ARG  27  23.008   5.024   4.551
  217   HH22  ARG  27          HH22      ARG  27  23.348   5.012   2.846
  218    H    LEU  28           HN       LEU  28  25.519   7.555  10.558
  219    HA   LEU  28           HA       LEU  28  26.969   9.804   9.615
  220    HB2  LEU  28           HB2      LEU  28  24.617   9.964  10.395
  221    HB3  LEU  28           HB1      LEU  28  25.152   9.653  12.038
  222    HG   LEU  28           HG       LEU  28  26.424  11.759  12.013
  223   HD11  LEU  28          HD11      LEU  28  26.905  11.930   9.648
  224   HD12  LEU  28          HD12      LEU  28  26.050  13.371  10.197
  225   HD13  LEU  28          HD13      LEU  28  25.191  12.127   9.288
  226   HD21  LEU  28          HD21      LEU  28  24.496  13.264  12.063
  227   HD22  LEU  28          HD22      LEU  28  24.155  11.738  12.875
  228   HD23  LEU  28          HD23      LEU  28  23.519  12.037  11.257
  229    H    LYS  29           HN       LYS  29  27.379   7.675  12.307
  230    HA   LYS  29           HA       LYS  29  29.180   9.337  13.783
  231    HB2  LYS  29           HB2      LYS  29  28.907   6.332  13.869
  232    HB3  LYS  29           HB1      LYS  29  29.658   7.347  15.087
  233    HG2  LYS  29           HG2      LYS  29  26.739   7.185  14.385
  234    HG3  LYS  29           HG1      LYS  29  27.519   6.662  15.877
  235    HD2  LYS  29           HD2      LYS  29  28.181   9.045  16.259
  236    HD3  LYS  29           HD1      LYS  29  27.182   9.479  14.870
  237    HE2  LYS  29           HE2      LYS  29  26.285   8.202  17.443
  238    HE3  LYS  29           HE1      LYS  29  25.903   9.820  16.863
  239    HZ1  LYS  29           HZ1      LYS  29  24.682   8.812  15.018
  240    HZ2  LYS  29           HZ2      LYS  29  24.056   8.335  16.512
  241    HZ3  LYS  29           HZ3      LYS  29  25.020   7.269  15.626
  242    H    SER  30           HN       SER  30  29.378   7.466  10.968
  243    HA   SER  30           HA       SER  30  32.202   6.865  11.185
  244    HB2  SER  30           HB2      SER  30  30.328   6.566   8.814
  245    HB3  SER  30           HB1      SER  30  31.948   5.882   8.956
  246    HG   SER  30           HG       SER  30  29.769   4.689   9.622
  247    H    GLU  31           HN       GLU  31  30.127   9.347  10.083
  248    HA   GLU  31           HA       GLU  31  31.882  10.592   8.232
  249    HB2  GLU  31           HB2      GLU  31  29.601  11.747   9.850
  250    HB3  GLU  31           HB1      GLU  31  30.408  12.562   8.519
  251    HG2  GLU  31           HG2      GLU  31  28.821  10.012   8.334
  252    HG3  GLU  31           HG1      GLU  31  28.295  11.612   7.811
  253    H    ARG  32           HN       ARG  32  30.959  11.434  11.548
  254    HA   ARG  32           HA       ARG  32  32.894  13.410  11.966
  255    HB2  ARG  32           HB2      ARG  32  31.002  13.133  13.477
  256    HB3  ARG  32           HB1      ARG  32  31.603  11.566  13.991
  257    HG2  ARG  32           HG2      ARG  32  32.042  13.273  15.671
  258    HG3  ARG  32           HG1      ARG  32  33.548  12.638  15.013
  259    HD2  ARG  32           HD2      ARG  32  33.672  14.597  13.511
  260    HD3  ARG  32           HD1      ARG  32  32.215  15.239  14.268
  261    HE   ARG  32           HE       ARG  32  33.684  15.047  16.402
  262   HH11  ARG  32          HH11      ARG  32  34.779  16.018  13.204
  263   HH12  ARG  32          HH12      ARG  32  36.054  17.014  13.815
  264   HH21  ARG  32          HH21      ARG  32  35.367  16.388  17.194
  265   HH22  ARG  32          HH22      ARG  32  36.385  17.232  16.080
  266    H    HIS  33           HN       HIS  33  33.135   9.943  12.204
  267    HA   HIS  33           HA       HIS  33  35.612   9.828  13.596
  268    HB2  HIS  33           HB2      HIS  33  33.831   7.912  12.267
  269    HB3  HIS  33           HB1      HIS  33  35.532   7.466  12.247
  270    HD1  HIS  33           HD1      HIS  33  32.574   7.629  14.419
  271    HD2  HIS  33           HD2      HIS  33  36.673   7.110  14.857
  272    HE1  HIS  33           HE1      HIS  33  32.890   6.679  16.724
  273    H    ASP  34           HN       ASP  34  34.928  10.719  10.400
  274    HA   ASP  34           HA       ASP  34  37.005   9.484   8.988
  275    HB2  ASP  34           HB2      ASP  34  36.608  10.939   7.210
  276    HB3  ASP  34           HB1      ASP  34  35.056  10.922   8.025
  277    H    HIS  35           HN       HIS  35  37.055  12.490  10.836
  278    HA   HIS  35           HA       HIS  35  39.636  13.311  10.181
  279    HB2  HIS  35           HB2      HIS  35  38.080  14.761  11.426
  280    HB3  HIS  35           HB1      HIS  35  38.213  13.710  12.834
  281    HD2  HIS  35           HD2      HIS  35  40.522  16.202  10.822
  282    HE1  HIS  35           HE1      HIS  35  42.038  15.743  14.746
  283    HE2  HIS  35           HE2      HIS  35  42.154  17.073  12.622
  284    H    ASP  36           HN       ASP  36  38.682  10.679  12.214
  285    HA   ASP  36           HA       ASP  36  41.298  10.524  13.504
  286    HB2  ASP  36           HB2      ASP  36  38.821   8.818  13.824
  287    HB3  ASP  36           HB1      ASP  36  40.342   8.502  14.645
  288    H    LYS  37           HN       LYS  37  39.957   9.484  10.638
  289    HA   LYS  37           HA       LYS  37  42.094   7.578  10.243
  290    HB2  LYS  37           HB2      LYS  37  39.956   6.448  11.236
  291    HB3  LYS  37           HB1      LYS  37  39.279   6.707   9.638
  292    HG2  LYS  37           HG2      LYS  37  40.988   5.331   8.644
  293    HG3  LYS  37           HG1      LYS  37  41.795   5.154  10.203
  294    HD2  LYS  37           HD2      LYS  37  39.815   4.021  11.099
  295    HD3  LYS  37           HD1      LYS  37  39.004   4.207   9.544
  296    HE2  LYS  37           HE2      LYS  37  39.856   1.983   9.652
  297    HE3  LYS  37           HE1      LYS  37  40.858   2.883   8.515
  298    HZ1  LYS  37           HZ1      LYS  37  42.216   1.544   9.951
  299    HZ2  LYS  37           HZ2      LYS  37  41.535   2.235  11.329
  300    HZ3  LYS  37           HZ3      LYS  37  42.499   3.175  10.301
  301    H    LYS  38           HN       LYS  38  41.821  10.062   9.230
  302    HA   LYS  38           HA       LYS  38  40.365  10.065   6.759
  303    HB2  LYS  38           HB2      LYS  38  40.638  12.155   8.045
  304    HB3  LYS  38           HB1      LYS  38  42.376  12.090   7.778
  305    HG2  LYS  38           HG2      LYS  38  42.073  12.394   5.419
  306    HG3  LYS  38           HG1      LYS  38  40.322  12.305   5.597
  307    HD2  LYS  38           HD2      LYS  38  40.287  14.342   6.856
  308    HD3  LYS  38           HD1      LYS  38  42.050  14.389   6.917
  309    HE2  LYS  38           HE2      LYS  38  40.434  14.504   4.376
  310    HE3  LYS  38           HE1      LYS  38  41.035  15.924   5.230
  311    HZ1  LYS  38           HZ1      LYS  38  42.705  13.750   4.083
  312    HZ2  LYS  38           HZ2      LYS  38  43.289  15.101   4.917
  313    HZ3  LYS  38           HZ3      LYS  38  42.505  15.294   3.433
  314    H    GLU  39           HN       GLU  39  41.197   8.341   5.723
  315    HA   GLU  39           HA       GLU  39  43.487   8.954   4.060
  316    HB2  GLU  39           HB2      GLU  39  44.642   6.832   4.549
  317    HB3  GLU  39           HB1      GLU  39  44.578   7.888   5.951
  318    HG2  GLU  39           HG2      GLU  39  42.708   6.583   6.841
  319    HG3  GLU  39           HG1      GLU  39  42.800   5.525   5.433
  320    H    ALA  40           HN       ALA  40  40.565   8.499   3.840
  321    HA   ALA  40           HA       ALA  40  39.039   7.486   2.480
  322    HB1  ALA  40           HB1      ALA  40  40.646   8.117   0.730
  323    HB2  ALA  40           HB2      ALA  40  39.829   6.602   0.346
  324    HB3  ALA  40           HB3      ALA  40  41.484   6.581   0.953
  325    H    GLU  41           HN       GLU  41  39.786   6.073   4.817
  326    HA   GLU  41           HA       GLU  41  39.227   3.372   4.062
  327    HB2  GLU  41           HB2      GLU  41  41.716   3.505   4.195
  328    HB3  GLU  41           HB1      GLU  41  41.564   4.117   5.835
  329    HG2  GLU  41           HG2      GLU  41  40.494   2.016   6.507
  330    HG3  GLU  41           HG1      GLU  41  40.708   1.404   4.870
  331    H    ARG  42           HN       ARG  42  37.328   3.513   5.045
  332    HA   ARG  42           HA       ARG  42  37.275   4.028   7.869
  333    HB2  ARG  42           HB2      ARG  42  35.122   4.676   5.839
  334    HB3  ARG  42           HB1      ARG  42  34.958   4.842   7.579
  335    HG2  ARG  42           HG2      ARG  42  36.832   6.499   7.516
  336    HG3  ARG  42           HG1      ARG  42  36.759   6.417   5.755
  337    HD2  ARG  42           HD2      ARG  42  34.549   7.282   7.618
  338    HD3  ARG  42           HD1      ARG  42  35.484   8.318   6.542
  339    HE   ARG  42           HE       ARG  42  34.373   6.479   4.872
  340   HH11  ARG  42          HH11      ARG  42  33.065   8.674   7.278
  341   HH12  ARG  42          HH12      ARG  42  31.539   8.864   6.461
  342   HH21  ARG  42          HH21      ARG  42  32.354   6.712   3.812
  343   HH22  ARG  42          HH22      ARG  42  31.134   7.725   4.500
  344    H    LYS  43           HN       LYS  43  36.565   2.511   8.883
  345    HA   LYS  43           HA       LYS  43  36.282  -0.094   7.993
  346    HB2  LYS  43           HB2      LYS  43  35.568  -0.764  10.171
  347    HB3  LYS  43           HB1      LYS  43  36.754   0.512  10.362
  348    HG2  LYS  43           HG2      LYS  43  35.294   1.887  11.367
  349    HG3  LYS  43           HG1      LYS  43  33.974   1.441  10.283
  350    HD2  LYS  43           HD2      LYS  43  34.981  -0.286  12.551
  351    HD3  LYS  43           HD1      LYS  43  33.586   0.788  12.662
  352    HE2  LYS  43           HE2      LYS  43  32.493  -0.454  10.844
  353    HE3  LYS  43           HE1      LYS  43  33.881  -1.530  10.742
  354    HZ1  LYS  43           HZ1      LYS  43  32.105  -2.530  12.012
  355    HZ2  LYS  43           HZ2      LYS  43  32.080  -1.227  13.084
  356    HZ3  LYS  43           HZ3      LYS  43  33.431  -2.241  13.018
  357    H    ALA  44           HN       ALA  44  33.824   2.338   8.084
  358    HA   ALA  44           HA       ALA  44  31.531   0.742   8.163
  359    HB1  ALA  44           HB1      ALA  44  31.354   3.172   8.285
  360    HB2  ALA  44           HB2      ALA  44  30.363   2.563   6.966
  361    HB3  ALA  44           HB3      ALA  44  31.905   3.334   6.616
  362    H    LEU  45           HN       LEU  45  33.263   1.884   5.241
  363    HA   LEU  45           HA       LEU  45  31.870   0.328   3.399
  364    HB2  LEU  45           HB2      LEU  45  33.248   2.229   2.777
  365    HB3  LEU  45           HB1      LEU  45  34.689   1.397   3.320
  366    HG   LEU  45           HG       LEU  45  34.332  -0.291   1.528
  367   HD11  LEU  45          HD11      LEU  45  32.198   1.633   0.622
  368   HD12  LEU  45          HD12      LEU  45  31.940  -0.009   1.211
  369   HD13  LEU  45          HD13      LEU  45  32.807   0.258  -0.300
  370   HD21  LEU  45          HD21      LEU  45  34.606   2.587   0.680
  371   HD22  LEU  45          HD22      LEU  45  35.068   1.192  -0.293
  372   HD23  LEU  45          HD23      LEU  45  35.901   1.522   1.224
  373    H    GLU  46           HN       GLU  46  34.710  -0.410   5.335
  374    HA   GLU  46           HA       GLU  46  35.441  -2.797   3.946
  375    HB2  GLU  46           HB2      GLU  46  37.064  -1.529   5.294
  376    HB3  GLU  46           HB1      GLU  46  36.148  -1.891   6.752
  377    HG2  GLU  46           HG2      GLU  46  36.578  -4.326   6.254
  378    HG3  GLU  46           HG1      GLU  46  37.731  -3.772   5.039
  379    H    ASP  47           HN       ASP  47  33.937  -2.270   7.101
  380    HA   ASP  47           HA       ASP  47  33.437  -5.074   7.502
  381    HB2  ASP  47           HB2      ASP  47  33.978  -3.612   9.403
  382    HB3  ASP  47           HB1      ASP  47  32.517  -2.676   9.116
  383    H    LYS  48           HN       LYS  48  31.684  -2.480   6.021
  384    HA   LYS  48           HA       LYS  48  29.737  -2.368   4.981
  385    HB2  LYS  48           HB2      LYS  48  29.745  -5.371   5.413
  386    HB3  LYS  48           HB1      LYS  48  28.484  -4.574   4.498
  387    HG2  LYS  48           HG2      LYS  48  31.416  -4.562   3.820
  388    HG3  LYS  48           HG1      LYS  48  30.181  -5.565   3.057
  389    HD2  LYS  48           HD2      LYS  48  29.005  -3.454   2.388
  390    HD3  LYS  48           HD1      LYS  48  30.400  -2.556   2.987
  391    HE2  LYS  48           HE2      LYS  48  30.399  -4.608   0.774
  392    HE3  LYS  48           HE1      LYS  48  30.557  -2.863   0.582
  393    HZ1  LYS  48           HZ1      LYS  48  32.623  -2.992   1.888
  394    HZ2  LYS  48           HZ2      LYS  48  32.702  -3.876   0.450
  395    HZ3  LYS  48           HZ3      LYS  48  32.485  -4.680   1.922
  396    H    LEU  49           HN       LEU  49  27.153  -3.019   5.415
  397    HA   LEU  49           HA       LEU  49  26.736  -2.442   8.228
  398    HB2  LEU  49           HB2      LEU  49  25.452  -1.167   6.574
  399    HB3  LEU  49           HB1      LEU  49  24.769  -2.649   5.931
  400    HG   LEU  49           HG       LEU  49  23.649  -3.040   8.094
  401   HD11  LEU  49          HD11      LEU  49  25.146  -1.832   9.556
  402   HD12  LEU  49          HD12      LEU  49  23.509  -1.195   9.703
  403   HD13  LEU  49          HD13      LEU  49  24.721  -0.309   8.776
  404   HD21  LEU  49          HD21      LEU  49  21.957  -1.283   7.815
  405   HD22  LEU  49          HD22      LEU  49  22.453  -1.975   6.273
  406   HD23  LEU  49          HD23      LEU  49  23.064  -0.396   6.769
  407    H    ALA  50           HN       ALA  50  26.586  -5.040   6.014
  408    HA   ALA  50           HA       ALA  50  25.896  -6.858   8.142
  409    HB1  ALA  50           HB1      ALA  50  24.268  -6.741   5.605
  410    HB2  ALA  50           HB2      ALA  50  23.708  -6.276   7.212
  411    HB3  ALA  50           HB3      ALA  50  24.121  -7.956   6.873
  412    H    ASP  51           HN       ASP  51  26.710  -8.884   7.811
  413    HA   ASP  51           HA       ASP  51  28.828  -9.121   5.894
  414    HB2  ASP  51           HB2      ASP  51  29.043  -9.995   8.181
  415    HB3  ASP  51           HB1      ASP  51  27.698 -11.090   7.902
  416    H    TYR  52           HN       TYR  52  25.653  -9.364   5.461
  417    HA   TYR  52           HA       TYR  52  25.871 -11.495   3.460
  418    HB2  TYR  52           HB2      TYR  52  23.434 -10.805   5.121
  419    HB3  TYR  52           HB1      TYR  52  23.518 -12.046   3.877
  420    HD1  TYR  52           HD1      TYR  52  24.508 -11.128   7.290
  421    HD2  TYR  52           HD2      TYR  52  24.601 -14.166   4.317
  422    HE1  TYR  52           HE1      TYR  52  25.202 -12.759   8.987
  423    HE2  TYR  52           HE2      TYR  52  25.294 -15.810   6.009
  424    HH   TYR  52           HH       TYR  52  25.143 -15.148   9.350
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -12.282 -14.694  11.413
    2    H2   GLY   1           HT2      GLY   1 -12.217 -16.360  11.112
    3    H3   GLY   1           HT3      GLY   1 -12.032 -15.262   9.841
    4    HA2  GLY   1           HA1      GLY   1 -10.163 -15.516  12.115
    5    HA3  GLY   1           HA2      GLY   1  -9.918 -16.245  10.535
    6    H    SER   2           HN       SER   2  -9.205 -15.019   8.849
    7    HA   SER   2           HA       SER   2  -8.141 -13.339   7.775
    8    HB2  SER   2           HB2      SER   2 -10.394 -12.288   7.942
    9    HB3  SER   2           HB1      SER   2  -9.899 -11.522   9.451
   10    HG   SER   2           HG       SER   2  -8.249 -10.461   8.262
   11    H    VAL   3           HN       VAL   3  -6.860 -14.411  10.019
   12    HA   VAL   3           HA       VAL   3  -5.852 -12.439  11.777
   13    HB   VAL   3           HB       VAL   3  -4.661 -15.119  11.019
   14   HG11  VAL   3          HG11      VAL   3  -4.023 -13.310  13.353
   15   HG12  VAL   3          HG12      VAL   3  -2.969 -13.643  11.980
   16   HG13  VAL   3          HG13      VAL   3  -3.384 -14.934  13.106
   17   HG21  VAL   3          HG21      VAL   3  -6.889 -15.292  12.001
   18   HG22  VAL   3          HG22      VAL   3  -6.372 -14.303  13.365
   19   HG23  VAL   3          HG23      VAL   3  -5.661 -15.897  13.113
   20    H    GLU   4           HN       GLU   4  -4.171 -14.124   9.092
   21    HA   GLU   4           HA       GLU   4  -2.063 -12.224   9.096
   22    HB2  GLU   4           HB2      GLU   4  -2.779 -14.322   7.038
   23    HB3  GLU   4           HB1      GLU   4  -1.275 -13.419   7.110
   24    HG2  GLU   4           HG2      GLU   4  -0.690 -14.438   9.190
   25    HG3  GLU   4           HG1      GLU   4  -2.260 -15.234   9.288
   26    H    LYS   5           HN       LYS   5  -4.759 -12.899   6.778
   27    HA   LYS   5           HA       LYS   5  -5.600 -11.753   5.070
   28    HB2  LYS   5           HB2      LYS   5  -6.370 -10.511   7.135
   29    HB3  LYS   5           HB1      LYS   5  -5.110  -9.329   6.800
   30    HG2  LYS   5           HG2      LYS   5  -6.146  -8.871   4.617
   31    HG3  LYS   5           HG1      LYS   5  -7.425 -10.024   5.000
   32    HD2  LYS   5           HD2      LYS   5  -8.096  -8.664   6.903
   33    HD3  LYS   5           HD1      LYS   5  -6.786  -7.526   6.568
   34    HE2  LYS   5           HE2      LYS   5  -7.771  -7.023   4.395
   35    HE3  LYS   5           HE1      LYS   5  -9.067  -8.176   4.706
   36    HZ1  LYS   5           HZ1      LYS   5  -9.752  -5.901   5.149
   37    HZ2  LYS   5           HZ2      LYS   5  -8.527  -5.734   6.305
   38    HZ3  LYS   5           HZ3      LYS   5  -9.785  -6.829   6.558
   39    H    LEU   6           HN       LEU   6  -2.600 -11.999   5.057
   40    HA   LEU   6           HA       LEU   6  -0.824 -11.337   3.805
   41    HB2  LEU   6           HB2      LEU   6  -2.931  -9.866   2.215
   42    HB3  LEU   6           HB1      LEU   6  -1.277 -10.121   1.695
   43    HG   LEU   6           HG       LEU   6  -3.300 -12.310   2.179
   44   HD11  LEU   6          HD11      LEU   6  -3.895 -10.971   0.253
   45   HD12  LEU   6          HD12      LEU   6  -3.285 -12.544  -0.259
   46   HD13  LEU   6          HD13      LEU   6  -2.257 -11.118  -0.382
   47   HD21  LEU   6          HD21      LEU   6  -1.636 -13.744   1.073
   48   HD22  LEU   6          HD22      LEU   6  -1.020 -13.060   2.577
   49   HD23  LEU   6          HD23      LEU   6  -0.510 -12.387   1.029
   50    H    THR   7           HN       THR   7  -1.753  -9.666   6.113
   51    HA   THR   7           HA       THR   7  -0.529  -7.200   5.374
   52    HB   THR   7           HB       THR   7  -1.873  -6.175   7.222
   53    HG1  THR   7           HG1      THR   7  -2.658  -8.864   7.613
   54   HG21  THR   7          HG21      THR   7  -2.852  -6.198   4.985
   55   HG22  THR   7          HG22      THR   7  -4.092  -6.331   6.232
   56   HG23  THR   7          HG23      THR   7  -3.595  -7.761   5.325
   57    H    ALA   8           HN       ALA   8   0.118  -6.478   7.914
   58    HA   ALA   8           HA       ALA   8   1.553  -6.694   9.663
   59    HB1  ALA   8           HB1      ALA   8   0.269  -8.703  10.302
   60    HB2  ALA   8           HB2      ALA   8   1.983  -8.852  10.694
   61    HB3  ALA   8           HB3      ALA   8   1.324  -9.684   9.285
   62    H    ASP   9           HN       ASP   9   2.168  -8.127   6.668
   63    HA   ASP   9           HA       ASP   9   4.931  -8.666   6.848
   64    HB2  ASP   9           HB2      ASP   9   4.979  -8.691   4.472
   65    HB3  ASP   9           HB1      ASP   9   3.379  -9.284   4.898
   66    H    ALA  10           HN       ALA  10   3.119  -5.803   6.747
   67    HA   ALA  10           HA       ALA  10   5.231  -4.038   5.862
   68    HB1  ALA  10           HB1      ALA  10   2.664  -3.285   7.277
   69    HB2  ALA  10           HB2      ALA  10   2.846  -3.447   5.528
   70    HB3  ALA  10           HB3      ALA  10   3.742  -2.205   6.398
   71    H    GLU  11           HN       GLU  11   4.429  -5.561   8.751
   72    HA   GLU  11           HA       GLU  11   5.733  -3.607  10.485
   73    HB2  GLU  11           HB2      GLU  11   4.679  -6.384  11.118
   74    HB3  GLU  11           HB1      GLU  11   5.218  -5.192  12.290
   75    HG2  GLU  11           HG2      GLU  11   2.828  -4.898  10.475
   76    HG3  GLU  11           HG1      GLU  11   2.783  -5.344  12.177
   77    H    LEU  12           HN       LEU  12   6.234  -6.411   8.703
   78    HA   LEU  12           HA       LEU  12   8.744  -7.217   9.891
   79    HB2  LEU  12           HB2      LEU  12   7.749  -8.030   7.164
   80    HB3  LEU  12           HB1      LEU  12   8.828  -8.909   8.224
   81    HG   LEU  12           HG       LEU  12   5.835  -8.609   8.496
   82   HD11  LEU  12          HD11      LEU  12   5.829 -11.003   8.328
   83   HD12  LEU  12          HD12      LEU  12   7.583 -11.010   8.152
   84   HD13  LEU  12          HD13      LEU  12   6.573 -10.261   6.914
   85   HD21  LEU  12          HD21      LEU  12   6.022  -9.961  10.517
   86   HD22  LEU  12          HD22      LEU  12   6.765  -8.376  10.692
   87   HD23  LEU  12          HD23      LEU  12   7.783  -9.804  10.455
   88    H    GLN  13           HN       GLN  13   7.569  -5.562   7.060
   89    HA   GLN  13           HA       GLN  13  10.042  -5.025   5.811
   90    HB2  GLN  13           HB2      GLN  13   7.857  -4.787   4.662
   91    HB3  GLN  13           HB1      GLN  13   7.477  -3.410   5.688
   92    HG2  GLN  13           HG2      GLN  13   9.416  -2.225   4.734
   93    HG3  GLN  13           HG1      GLN  13   9.671  -3.592   3.649
   94   HE21  GLN  13          HE21      GLN  13   7.636  -0.921   4.444
   95   HE22  GLN  13          HE22      GLN  13   6.722  -0.904   2.976
   96    H    ARG  14           HN       ARG  14   8.216  -3.387   8.327
   97    HA   ARG  14           HA       ARG  14   9.846  -1.038   8.303
   98    HB2  ARG  14           HB2      ARG  14   7.531  -0.941   9.177
   99    HB3  ARG  14           HB1      ARG  14   7.977  -2.033  10.482
  100    HG2  ARG  14           HG2      ARG  14   7.918   0.212  11.318
  101    HG3  ARG  14           HG1      ARG  14   9.592  -0.345  11.292
  102    HD2  ARG  14           HD2      ARG  14   9.691   0.799   8.971
  103    HD3  ARG  14           HD1      ARG  14   8.228   1.629   9.495
  104    HE   ARG  14           HE       ARG  14  10.320   1.812  11.437
  105   HH11  ARG  14          HH11      ARG  14   9.099   3.242   8.466
  106   HH12  ARG  14          HH12      ARG  14   9.969   4.723   8.686
  107   HH21  ARG  14          HH21      ARG  14  11.444   3.749  11.719
  108   HH22  ARG  14          HH22      ARG  14  11.297   5.027  10.548
  109    H    LEU  15           HN       LEU  15   9.892  -4.114   9.919
  110    HA   LEU  15           HA       LEU  15  11.732  -3.554  11.959
  111    HB2  LEU  15           HB2      LEU  15  10.440  -5.624  11.862
  112    HB3  LEU  15           HB1      LEU  15  11.286  -6.109  10.408
  113    HG   LEU  15           HG       LEU  15  13.386  -6.253  11.711
  114   HD11  LEU  15          HD11      LEU  15  11.593  -5.741  14.071
  115   HD12  LEU  15          HD12      LEU  15  12.855  -4.668  13.470
  116   HD13  LEU  15          HD13      LEU  15  13.283  -6.238  14.148
  117   HD21  LEU  15          HD21      LEU  15  11.096  -7.891  12.788
  118   HD22  LEU  15          HD22      LEU  15  12.806  -8.307  12.899
  119   HD23  LEU  15          HD23      LEU  15  12.016  -8.235  11.324
  120    H    LYS  16           HN       LYS  16  12.200  -4.495   8.598
  121    HA   LYS  16           HA       LYS  16  15.075  -4.543   8.800
  122    HB2  LYS  16           HB2      LYS  16  13.281  -4.567   6.360
  123    HB3  LYS  16           HB1      LYS  16  15.015  -4.842   6.346
  124    HG2  LYS  16           HG2      LYS  16  14.755  -6.845   7.662
  125    HG3  LYS  16           HG1      LYS  16  13.021  -6.553   7.810
  126    HD2  LYS  16           HD2      LYS  16  12.763  -6.795   5.400
  127    HD3  LYS  16           HD1      LYS  16  14.503  -7.039   5.225
  128    HE2  LYS  16           HE2      LYS  16  13.265  -9.160   5.176
  129    HE3  LYS  16           HE1      LYS  16  14.374  -9.072   6.544
  130    HZ1  LYS  16           HZ1      LYS  16  12.540  -8.560   7.991
  131    HZ2  LYS  16           HZ2      LYS  16  12.188  -9.976   7.146
  132    HZ3  LYS  16           HZ3      LYS  16  11.459  -8.526   6.690
  133    H    ASN  17           HN       ASN  17  12.623  -2.287   7.860
  134    HA   ASN  17           HA       ASN  17  14.363  -0.385   6.598
  135    HB2  ASN  17           HB2      ASN  17  11.950  -0.340   6.106
  136    HB3  ASN  17           HB1      ASN  17  11.600   0.039   7.792
  137   HD21  ASN  17          HD21      ASN  17  11.971   2.111   8.553
  138   HD22  ASN  17          HD22      ASN  17  12.278   3.444   7.502
  139    H    GLU  18           HN       GLU  18  12.996  -0.750   9.816
  140    HA   GLU  18           HA       GLU  18  13.984   1.602  10.968
  141    HB2  GLU  18           HB2      GLU  18  12.272  -0.062  11.892
  142    HB3  GLU  18           HB1      GLU  18  13.645  -1.024  12.412
  143    HG2  GLU  18           HG2      GLU  18  12.813   0.297  14.240
  144    HG3  GLU  18           HG1      GLU  18  14.422   0.853  13.780
  145    H    ARG  19           HN       ARG  19  15.394  -1.591  10.516
  146    HA   ARG  19           HA       ARG  19  17.750  -1.115  12.022
  147    HB2  ARG  19           HB2      ARG  19  17.016  -3.407  11.333
  148    HB3  ARG  19           HB1      ARG  19  17.446  -3.012   9.672
  149    HG2  ARG  19           HG2      ARG  19  19.766  -2.716  10.332
  150    HG3  ARG  19           HG1      ARG  19  19.342  -3.071  12.007
  151    HD2  ARG  19           HD2      ARG  19  18.577  -5.306  11.305
  152    HD3  ARG  19           HD1      ARG  19  19.084  -4.941   9.656
  153    HE   ARG  19           HE       ARG  19  21.250  -4.511  11.384
  154   HH11  ARG  19          HH11      ARG  19  19.347  -7.168  10.111
  155   HH12  ARG  19          HH12      ARG  19  20.631  -8.315  10.231
  156   HH21  ARG  19          HH21      ARG  19  22.946  -6.024  11.556
  157   HH22  ARG  19          HH22      ARG  19  22.694  -7.660  11.055
  158    H    HIS  20           HN       HIS  20  16.909  -0.648   8.635
  159    HA   HIS  20           HA       HIS  20  19.409   0.226   7.694
  160    HB2  HIS  20           HB2      HIS  20  17.603  -0.232   6.107
  161    HB3  HIS  20           HB1      HIS  20  16.636   1.079   6.780
  162    HD1  HIS  20           HD1      HIS  20  17.212   3.491   6.049
  163    HD2  HIS  20           HD2      HIS  20  19.703   0.577   4.404
  164    HE1  HIS  20           HE1      HIS  20  18.506   4.647   4.234
  165    H    GLU  21           HN       GLU  21  16.789   1.992   9.259
  166    HA   GLU  21           HA       GLU  21  17.990   4.562   9.000
  167    HB2  GLU  21           HB2      GLU  21  15.963   3.688  11.063
  168    HB3  GLU  21           HB1      GLU  21  16.278   5.328  10.516
  169    HG2  GLU  21           HG2      GLU  21  15.087   3.098   8.879
  170    HG3  GLU  21           HG1      GLU  21  14.225   4.476   9.558
  171    H    GLU  22           HN       GLU  22  17.971   2.074  11.464
  172    HA   GLU  22           HA       GLU  22  19.388   3.482  13.457
  173    HB2  GLU  22           HB2      GLU  22  18.184   1.338  13.876
  174    HB3  GLU  22           HB1      GLU  22  19.408   0.492  12.938
  175    HG2  GLU  22           HG2      GLU  22  21.091   1.045  14.555
  176    HG3  GLU  22           HG1      GLU  22  19.950   2.048  15.449
  177    H    ALA  23           HN       ALA  23  20.463   1.418  10.804
  178    HA   ALA  23           HA       ALA  23  23.253   1.662  11.383
  179    HB1  ALA  23           HB1      ALA  23  21.925   0.894   8.769
  180    HB2  ALA  23           HB2      ALA  23  22.375  -0.225  10.061
  181    HB3  ALA  23           HB3      ALA  23  23.620   0.662   9.188
  182    H    GLU  24           HN       GLU  24  20.950   3.548   9.692
  183    HA   GLU  24           HA       GLU  24  22.676   5.098   8.075
  184    HB2  GLU  24           HB2      GLU  24  20.285   5.121   7.648
  185    HB3  GLU  24           HB1      GLU  24  19.943   5.781   9.236
  186    HG2  GLU  24           HG2      GLU  24  21.223   7.816   8.551
  187    HG3  GLU  24           HG1      GLU  24  21.280   7.138   6.922
  188    H    LEU  25           HN       LEU  25  21.218   5.844  11.219
  189    HA   LEU  25           HA       LEU  25  22.734   8.133  11.783
  190    HB2  LEU  25           HB2      LEU  25  21.244   6.170  13.459
  191    HB3  LEU  25           HB1      LEU  25  22.360   7.242  14.274
  192    HG   LEU  25           HG       LEU  25  21.118   9.188  13.357
  193   HD11  LEU  25          HD11      LEU  25  18.894   8.851  12.405
  194   HD12  LEU  25          HD12      LEU  25  19.175   7.115  12.355
  195   HD13  LEU  25          HD13      LEU  25  20.159   8.201  11.367
  196   HD21  LEU  25          HD21      LEU  25  19.468   7.219  14.931
  197   HD22  LEU  25          HD22      LEU  25  19.163   8.952  14.811
  198   HD23  LEU  25          HD23      LEU  25  20.635   8.367  15.588
  199    H    GLU  26           HN       GLU  26  23.339   4.795  12.448
  200    HA   GLU  26           HA       GLU  26  25.695   4.933  13.937
  201    HB2  GLU  26           HB2      GLU  26  24.457   2.842  13.490
  202    HB3  GLU  26           HB1      GLU  26  25.065   2.855  11.842
  203    HG2  GLU  26           HG2      GLU  26  27.365   2.723  12.735
  204    HG3  GLU  26           HG1      GLU  26  26.687   2.583  14.358
  205    H    ARG  27           HN       ARG  27  25.416   4.744  10.375
  206    HA   ARG  27           HA       ARG  27  28.238   5.091  10.017
  207    HB2  ARG  27           HB2      ARG  27  27.759   5.224   7.618
  208    HB3  ARG  27           HB1      ARG  27  26.946   3.853   8.349
  209    HG2  ARG  27           HG2      ARG  27  24.851   5.122   8.373
  210    HG3  ARG  27           HG1      ARG  27  25.679   6.481   7.610
  211    HD2  ARG  27           HD2      ARG  27  24.466   5.177   5.954
  212    HD3  ARG  27           HD1      ARG  27  26.203   5.069   5.680
  213    HE   ARG  27           HE       ARG  27  25.333   2.915   7.291
  214   HH11  ARG  27          HH11      ARG  27  25.228   4.062   3.972
  215   HH12  ARG  27          HH12      ARG  27  25.117   2.475   3.295
  216   HH21  ARG  27          HH21      ARG  27  25.176   0.804   6.382
  217   HH22  ARG  27          HH22      ARG  27  25.081   0.617   4.667
  218    H    LEU  28           HN       LEU  28  25.472   7.205  10.116
  219    HA   LEU  28           HA       LEU  28  26.665   9.495   8.980
  220    HB2  LEU  28           HB2      LEU  28  24.223   9.303   9.383
  221    HB3  LEU  28           HB1      LEU  28  24.514   9.405  11.111
  222    HG   LEU  28           HG       LEU  28  25.394  11.693  10.805
  223   HD11  LEU  28          HD11      LEU  28  24.532  11.308   7.942
  224   HD12  LEU  28          HD12      LEU  28  26.184  11.524   8.520
  225   HD13  LEU  28          HD13      LEU  28  25.019  12.839   8.668
  226   HD21  LEU  28          HD21      LEU  28  23.234  12.747  10.346
  227   HD22  LEU  28          HD22      LEU  28  23.052  11.338  11.391
  228   HD23  LEU  28          HD23      LEU  28  22.632  11.228   9.682
  229    H    LYS  29           HN       LYS  29  26.476   8.383  12.350
  230    HA   LYS  29           HA       LYS  29  27.836  10.516  13.541
  231    HB2  LYS  29           HB2      LYS  29  27.804   7.589  14.304
  232    HB3  LYS  29           HB1      LYS  29  28.522   8.847  15.294
  233    HG2  LYS  29           HG2      LYS  29  26.332   9.937  15.480
  234    HG3  LYS  29           HG1      LYS  29  25.622   8.632  14.521
  235    HD2  LYS  29           HD2      LYS  29  26.256   7.009  16.203
  236    HD3  LYS  29           HD1      LYS  29  27.076   8.260  17.138
  237    HE2  LYS  29           HE2      LYS  29  24.938   9.409  17.460
  238    HE3  LYS  29           HE1      LYS  29  24.124   8.150  16.533
  239    HZ1  LYS  29           HZ1      LYS  29  23.910   7.785  18.913
  240    HZ2  LYS  29           HZ2      LYS  29  25.588   7.735  19.085
  241    HZ3  LYS  29           HZ3      LYS  29  24.793   6.538  18.196
  242    H    SER  30           HN       SER  30  29.079   7.564  12.027
  243    HA   SER  30           HA       SER  30  31.772   7.923  12.613
  244    HB2  SER  30           HB2      SER  30  30.566   6.640  10.148
  245    HB3  SER  30           HB1      SER  30  32.181   6.353  10.793
  246    HG   SER  30           HG       SER  30  29.677   5.600  11.888
  247    H    GLU  31           HN       GLU  31  29.795   9.109   9.922
  248    HA   GLU  31           HA       GLU  31  31.890  10.308   8.455
  249    HB2  GLU  31           HB2      GLU  31  29.625   9.758   7.549
  250    HB3  GLU  31           HB1      GLU  31  28.948  11.049   8.522
  251    HG2  GLU  31           HG2      GLU  31  31.077  11.586   6.469
  252    HG3  GLU  31           HG1      GLU  31  29.374  11.481   6.030
  253    H    ARG  32           HN       ARG  32  29.475  11.707  10.673
  254    HA   ARG  32           HA       ARG  32  30.370  14.316  10.703
  255    HB2  ARG  32           HB2      ARG  32  29.291  12.836  13.111
  256    HB3  ARG  32           HB1      ARG  32  29.294  14.574  12.874
  257    HG2  ARG  32           HG2      ARG  32  27.633  12.503  11.463
  258    HG3  ARG  32           HG1      ARG  32  27.088  13.850  12.461
  259    HD2  ARG  32           HD2      ARG  32  28.329  13.976   9.719
  260    HD3  ARG  32           HD1      ARG  32  26.673  14.380  10.160
  261    HE   ARG  32           HE       ARG  32  27.737  16.219  11.530
  262   HH11  ARG  32          HH11      ARG  32  29.161  14.946   8.574
  263   HH12  ARG  32          HH12      ARG  32  30.035  16.391   8.218
  264   HH21  ARG  32          HH21      ARG  32  28.891  18.148  11.058
  265   HH22  ARG  32          HH22      ARG  32  29.865  18.236   9.639
  266    H    HIS  33           HN       HIS  33  31.441  11.665  12.825
  267    HA   HIS  33           HA       HIS  33  33.285  13.275  14.273
  268    HB2  HIS  33           HB2      HIS  33  33.016  10.288  14.002
  269    HB3  HIS  33           HB1      HIS  33  34.244  11.045  15.009
  270    HD1  HIS  33           HD1      HIS  33  31.128   9.523  15.379
  271    HD2  HIS  33           HD2      HIS  33  32.746  13.064  16.818
  272    HE1  HIS  33           HE1      HIS  33  29.740  10.124  17.374
  273    H    ASP  34           HN       ASP  34  33.560  11.418  11.333
  274    HA   ASP  34           HA       ASP  34  36.438  11.470  11.313
  275    HB2  ASP  34           HB2      ASP  34  35.212   9.684  10.125
  276    HB3  ASP  34           HB1      ASP  34  34.543  10.884   9.021
  277    H    HIS  35           HN       HIS  35  33.968  13.586  10.372
  278    HA   HIS  35           HA       HIS  35  35.806  15.120   8.695
  279    HB2  HIS  35           HB2      HIS  35  32.819  15.201   8.942
  280    HB3  HIS  35           HB1      HIS  35  33.701  16.585   8.300
  281    HD2  HIS  35           HD2      HIS  35  33.410  12.740   7.419
  282    HE1  HIS  35           HE1      HIS  35  34.346  14.949   3.929
  283    HE2  HIS  35           HE2      HIS  35  33.591  12.740   4.847
  284    H    ASP  36           HN       ASP  36  34.185  15.187  11.726
  285    HA   ASP  36           HA       ASP  36  34.551  17.874  12.447
  286    HB2  ASP  36           HB2      ASP  36  33.219  16.346  13.844
  287    HB3  ASP  36           HB1      ASP  36  34.665  15.424  14.244
  288    H    LYS  37           HN       LYS  37  36.776  15.254  12.182
  289    HA   LYS  37           HA       LYS  37  38.972  16.130  13.651
  290    HB2  LYS  37           HB2      LYS  37  38.970  14.764  10.954
  291    HB3  LYS  37           HB1      LYS  37  40.332  14.846  12.056
  292    HG2  LYS  37           HG2      LYS  37  39.230  13.435  13.634
  293    HG3  LYS  37           HG1      LYS  37  37.721  13.503  12.714
  294    HD2  LYS  37           HD2      LYS  37  38.812  12.389  10.835
  295    HD3  LYS  37           HD1      LYS  37  40.324  12.338  11.738
  296    HE2  LYS  37           HE2      LYS  37  39.377  10.858  13.354
  297    HE3  LYS  37           HE1      LYS  37  37.771  11.024  12.651
  298    HZ1  LYS  37           HZ1      LYS  37  40.128   9.826  11.296
  299    HZ2  LYS  37           HZ2      LYS  37  38.573   9.955  10.639
  300    HZ3  LYS  37           HZ3      LYS  37  38.846   8.958  11.976
  301    H    LYS  38           HN       LYS  38  37.792  17.093  10.486
  302    HA   LYS  38           HA       LYS  38  40.039  18.949  10.185
  303    HB2  LYS  38           HB2      LYS  38  37.951  18.185   8.116
  304    HB3  LYS  38           HB1      LYS  38  39.385  19.158   7.850
  305    HG2  LYS  38           HG2      LYS  38  40.792  17.228   8.310
  306    HG3  LYS  38           HG1      LYS  38  39.356  16.249   8.624
  307    HD2  LYS  38           HD2      LYS  38  38.587  16.678   6.322
  308    HD3  LYS  38           HD1      LYS  38  40.060  17.598   6.016
  309    HE2  LYS  38           HE2      LYS  38  40.305  15.374   5.125
  310    HE3  LYS  38           HE1      LYS  38  41.382  15.566   6.506
  311    HZ1  LYS  38           HZ1      LYS  38  40.217  13.438   6.499
  312    HZ2  LYS  38           HZ2      LYS  38  38.731  14.234   6.589
  313    HZ3  LYS  38           HZ3      LYS  38  39.830  14.349   7.864
  314    H    GLU  39           HN       GLU  39  36.479  18.897   9.778
  315    HA   GLU  39           HA       GLU  39  35.861  21.202  11.155
  316    HB2  GLU  39           HB2      GLU  39  37.282  22.350   9.453
  317    HB3  GLU  39           HB1      GLU  39  36.241  21.722   8.188
  318    HG2  GLU  39           HG2      GLU  39  34.365  23.002   9.114
  319    HG3  GLU  39           HG1      GLU  39  35.435  23.649  10.358
  320    H    ALA  40           HN       ALA  40  33.607  21.666  10.953
  321    HA   ALA  40           HA       ALA  40  32.115  19.461   9.874
  322    HB1  ALA  40           HB1      ALA  40  30.146  20.508  10.865
  323    HB2  ALA  40           HB2      ALA  40  31.053  21.983  11.182
  324    HB3  ALA  40           HB3      ALA  40  31.468  20.490  12.029
  325    H    GLU  41           HN       GLU  41  29.793  20.356   8.731
  326    HA   GLU  41           HA       GLU  41  28.909  20.986   6.808
  327    HB2  GLU  41           HB2      GLU  41  30.736  23.363   7.151
  328    HB3  GLU  41           HB1      GLU  41  29.446  23.264   5.963
  329    HG2  GLU  41           HG2      GLU  41  27.864  22.887   7.883
  330    HG3  GLU  41           HG1      GLU  41  29.200  23.303   8.954
  331    H    ARG  42           HN       ARG  42  29.637  19.294   5.631
  332    HA   ARG  42           HA       ARG  42  31.635  19.855   3.698
  333    HB2  ARG  42           HB2      ARG  42  31.672  17.494   5.580
  334    HB3  ARG  42           HB1      ARG  42  32.496  17.479   4.030
  335    HG2  ARG  42           HG2      ARG  42  33.059  19.339   6.339
  336    HG3  ARG  42           HG1      ARG  42  34.055  17.979   5.811
  337    HD2  ARG  42           HD2      ARG  42  34.247  19.134   3.583
  338    HD3  ARG  42           HD1      ARG  42  33.487  20.539   4.326
  339    HE   ARG  42           HE       ARG  42  36.165  19.504   4.830
  340   HH11  ARG  42          HH11      ARG  42  33.675  21.833   5.715
  341   HH12  ARG  42          HH12      ARG  42  34.804  22.963   6.390
  342   HH21  ARG  42          HH21      ARG  42  37.646  21.013   5.707
  343   HH22  ARG  42          HH22      ARG  42  37.062  22.495   6.376
  344    H    LYS  43           HN       LYS  43  31.203  18.961   1.952
  345    HA   LYS  43           HA       LYS  43  28.670  18.257   1.072
  346    HB2  LYS  43           HB2      LYS  43  31.327  17.641  -0.210
  347    HB3  LYS  43           HB1      LYS  43  29.780  17.399  -1.005
  348    HG2  LYS  43           HG2      LYS  43  30.819  20.039   0.004
  349    HG3  LYS  43           HG1      LYS  43  30.870  19.487  -1.671
  350    HD2  LYS  43           HD2      LYS  43  28.392  19.308  -1.630
  351    HD3  LYS  43           HD1      LYS  43  28.405  19.998  -0.007
  352    HE2  LYS  43           HE2      LYS  43  27.926  21.697  -1.700
  353    HE3  LYS  43           HE1      LYS  43  29.439  22.028  -0.860
  354    HZ1  LYS  43           HZ1      LYS  43  29.243  20.701  -3.507
  355    HZ2  LYS  43           HZ2      LYS  43  30.662  21.174  -2.725
  356    HZ3  LYS  43           HZ3      LYS  43  29.578  22.340  -3.287
  357    H    ALA  44           HN       ALA  44  30.748  16.290   2.826
  358    HA   ALA  44           HA       ALA  44  30.117  13.741   1.704
  359    HB1  ALA  44           HB1      ALA  44  30.992  14.366   4.532
  360    HB2  ALA  44           HB2      ALA  44  32.073  14.044   3.172
  361    HB3  ALA  44           HB3      ALA  44  30.993  12.784   3.762
  362    H    LEU  45           HN       LEU  45  28.466  15.950   3.691
  363    HA   LEU  45           HA       LEU  45  26.632  14.290   5.010
  364    HB2  LEU  45           HB2      LEU  45  26.901  16.700   5.473
  365    HB3  LEU  45           HB1      LEU  45  26.190  17.075   3.916
  366    HG   LEU  45           HG       LEU  45  24.067  16.034   4.679
  367   HD11  LEU  45          HD11      LEU  45  25.493  15.860   7.328
  368   HD12  LEU  45          HD12      LEU  45  24.940  14.505   6.342
  369   HD13  LEU  45          HD13      LEU  45  23.767  15.599   7.075
  370   HD21  LEU  45          HD21      LEU  45  23.430  17.855   6.184
  371   HD22  LEU  45          HD22      LEU  45  24.397  18.441   4.830
  372   HD23  LEU  45          HD23      LEU  45  25.132  18.252   6.423
  373    H    GLU  46           HN       GLU  46  26.854  15.286   1.669
  374    HA   GLU  46           HA       GLU  46  24.198  14.447   0.959
  375    HB2  GLU  46           HB2      GLU  46  25.416  16.195  -0.323
  376    HB3  GLU  46           HB1      GLU  46  26.604  14.993  -0.806
  377    HG2  GLU  46           HG2      GLU  46  24.844  13.756  -1.976
  378    HG3  GLU  46           HG1      GLU  46  23.688  15.011  -1.526
  379    H    ASP  47           HN       ASP  47  27.198  12.955   1.470
  380    HA   ASP  47           HA       ASP  47  26.752  10.690  -0.269
  381    HB2  ASP  47           HB2      ASP  47  28.874  11.218   1.827
  382    HB3  ASP  47           HB1      ASP  47  28.764   9.715   0.921
  383    H    LYS  48           HN       LYS  48  25.504  11.679   2.563
  384    HA   LYS  48           HA       LYS  48  25.262   9.441   4.181
  385    HB2  LYS  48           HB2      LYS  48  24.425  11.656   4.853
  386    HB3  LYS  48           HB1      LYS  48  23.175  11.573   3.619
  387    HG2  LYS  48           HG2      LYS  48  22.225   9.611   4.808
  388    HG3  LYS  48           HG1      LYS  48  23.417   9.870   6.085
  389    HD2  LYS  48           HD2      LYS  48  22.532  12.111   6.470
  390    HD3  LYS  48           HD1      LYS  48  21.359  11.878   5.174
  391    HE2  LYS  48           HE2      LYS  48  20.407   9.974   6.436
  392    HE3  LYS  48           HE1      LYS  48  21.531  10.321   7.748
  393    HZ1  LYS  48           HZ1      LYS  48  19.365  11.281   8.172
  394    HZ2  LYS  48           HZ2      LYS  48  19.432  12.161   6.735
  395    HZ3  LYS  48           HZ3      LYS  48  20.512  12.506   7.981
  396    H    LEU  49           HN       LEU  49  23.467  10.316   1.256
  397    HA   LEU  49           HA       LEU  49  22.519   7.561   1.110
  398    HB2  LEU  49           HB2      LEU  49  20.772   9.089   2.107
  399    HB3  LEU  49           HB1      LEU  49  20.742   9.936   0.575
  400    HG   LEU  49           HG       LEU  49  19.965   7.890  -0.543
  401   HD11  LEU  49          HD11      LEU  49  19.243   5.974   0.805
  402   HD12  LEU  49          HD12      LEU  49  19.938   6.726   2.240
  403   HD13  LEU  49          HD13      LEU  49  20.983   6.228   0.909
  404   HD21  LEU  49          HD21      LEU  49  18.361   9.505   0.296
  405   HD22  LEU  49          HD22      LEU  49  18.340   8.693   1.860
  406   HD23  LEU  49          HD23      LEU  49  17.722   7.866   0.428
  407    H    ALA  50           HN       ALA  50  24.497   9.457  -0.228
  408    HA   ALA  50           HA       ALA  50  23.623   9.858  -2.910
  409    HB1  ALA  50           HB1      ALA  50  25.925  10.374  -3.435
  410    HB2  ALA  50           HB2      ALA  50  26.463   9.653  -1.921
  411    HB3  ALA  50           HB3      ALA  50  25.487  11.125  -1.902
  412    H    ASP  51           HN       ASP  51  24.851   8.849  -4.814
  413    HA   ASP  51           HA       ASP  51  25.205   5.969  -4.360
  414    HB2  ASP  51           HB2      ASP  51  23.028   6.559  -5.510
  415    HB3  ASP  51           HB1      ASP  51  23.980   7.226  -6.832
  416    H    TYR  52           HN       TYR  52  26.881   5.022  -5.449
  417    HA   TYR  52           HA       TYR  52  28.820   4.779  -6.602
  418    HB2  TYR  52           HB2      TYR  52  28.080   7.440  -7.823
  419    HB3  TYR  52           HB1      TYR  52  29.615   6.657  -8.159
  420    HD1  TYR  52           HD1      TYR  52  26.559   7.239  -9.512
  421    HD2  TYR  52           HD2      TYR  52  29.152   3.969  -8.702
  422    HE1  TYR  52           HE1      TYR  52  25.497   5.957 -11.319
  423    HE2  TYR  52           HE2      TYR  52  28.096   2.678 -10.507
  424    HH   TYR  52           HH       TYR  52  26.109   4.074 -12.824
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   0.293  -5.767  -9.981
    2    H2   GLY   1           HT2      GLY   1   0.456  -7.202  -9.104
    3    H3   GLY   1           HT3      GLY   1   1.788  -6.181  -9.306
    4    HA2  GLY   1           HA1      GLY   1   0.682  -4.456  -8.021
    5    HA3  GLY   1           HA2      GLY   1  -0.669  -5.551  -7.773
    6    H    SER   2           HN       SER   2  -0.301  -5.311  -5.506
    7    HA   SER   2           HA       SER   2   2.171  -6.336  -4.409
    8    HB2  SER   2           HB2      SER   2  -0.355  -5.297  -3.114
    9    HB3  SER   2           HB1      SER   2   1.068  -5.823  -2.215
   10    HG   SER   2           HG       SER   2   1.157  -3.832  -4.233
   11    H    VAL   3           HN       VAL   3   1.173  -7.638  -2.087
   12    HA   VAL   3           HA       VAL   3  -0.410  -9.869  -2.982
   13    HB   VAL   3           HB       VAL   3   1.320 -11.540  -2.121
   14   HG11  VAL   3          HG11      VAL   3   1.976 -10.041  -4.648
   15   HG12  VAL   3          HG12      VAL   3   0.810 -11.354  -4.485
   16   HG13  VAL   3          HG13      VAL   3   2.529 -11.665  -4.245
   17   HG21  VAL   3          HG21      VAL   3   2.809  -9.967  -1.002
   18   HG22  VAL   3          HG22      VAL   3   3.194  -9.215  -2.551
   19   HG23  VAL   3          HG23      VAL   3   3.677 -10.881  -2.237
   20    H    GLU   4           HN       GLU   4   1.514  -8.333  -0.454
   21    HA   GLU   4           HA       GLU   4  -0.436  -9.214   1.519
   22    HB2  GLU   4           HB2      GLU   4   2.580  -9.460   1.819
   23    HB3  GLU   4           HB1      GLU   4   1.424  -9.655   3.143
   24    HG2  GLU   4           HG2      GLU   4   1.435 -11.347   0.665
   25    HG3  GLU   4           HG1      GLU   4   2.344 -11.740   2.121
   26    H    LYS   5           HN       LYS   5   2.266  -7.669   2.874
   27    HA   LYS   5           HA       LYS   5   2.526  -5.651   3.897
   28    HB2  LYS   5           HB2      LYS   5   1.312  -4.773   1.290
   29    HB3  LYS   5           HB1      LYS   5   1.690  -3.607   2.547
   30    HG2  LYS   5           HG2      LYS   5   4.050  -4.612   2.489
   31    HG3  LYS   5           HG1      LYS   5   3.554  -5.319   0.950
   32    HD2  LYS   5           HD2      LYS   5   3.455  -2.378   1.630
   33    HD3  LYS   5           HD1      LYS   5   4.714  -3.157   0.673
   34    HE2  LYS   5           HE2      LYS   5   1.792  -3.198  -0.050
   35    HE3  LYS   5           HE1      LYS   5   2.929  -1.994  -0.649
   36    HZ1  LYS   5           HZ1      LYS   5   2.554  -3.879  -2.176
   37    HZ2  LYS   5           HZ2      LYS   5   3.260  -4.915  -1.034
   38    HZ3  LYS   5           HZ3      LYS   5   4.174  -3.683  -1.733
   39    H    LEU   6           HN       LEU   6   0.049  -7.211   4.147
   40    HA   LEU   6           HA       LEU   6  -1.666  -5.135   5.338
   41    HB2  LEU   6           HB2      LEU   6  -2.628  -7.573   3.836
   42    HB3  LEU   6           HB1      LEU   6  -3.656  -6.445   4.695
   43    HG   LEU   6           HG       LEU   6  -1.996  -5.803   2.255
   44   HD11  LEU   6          HD11      LEU   6  -4.152  -5.599   1.124
   45   HD12  LEU   6          HD12      LEU   6  -4.971  -6.127   2.594
   46   HD13  LEU   6          HD13      LEU   6  -3.893  -7.231   1.740
   47   HD21  LEU   6          HD21      LEU   6  -2.192  -3.868   3.703
   48   HD22  LEU   6          HD22      LEU   6  -3.935  -4.109   3.827
   49   HD23  LEU   6          HD23      LEU   6  -3.213  -3.663   2.280
   50    H    THR   7           HN       THR   7   0.014  -8.102   5.657
   51    HA   THR   7           HA       THR   7  -1.463  -8.701   7.989
   52    HB   THR   7           HB       THR   7  -0.765 -11.007   7.723
   53    HG1  THR   7           HG1      THR   7   1.051  -9.956   5.763
   54   HG21  THR   7          HG21      THR   7  -2.542 -10.364   6.177
   55   HG22  THR   7          HG22      THR   7  -1.493 -11.592   5.467
   56   HG23  THR   7          HG23      THR   7  -1.335  -9.907   4.974
   57    H    ALA   8           HN       ALA   8   0.443 -10.107   9.248
   58    HA   ALA   8           HA       ALA   8   1.925  -8.102  10.566
   59    HB1  ALA   8           HB1      ALA   8   1.295 -10.203  11.699
   60    HB2  ALA   8           HB2      ALA   8   3.023  -9.887  11.804
   61    HB3  ALA   8           HB3      ALA   8   2.422 -11.087  10.665
   62    H    ASP   9           HN       ASP   9   2.440  -9.706   7.694
   63    HA   ASP   9           HA       ASP   9   5.253  -9.791   7.528
   64    HB2  ASP   9           HB2      ASP   9   5.006 -10.035   5.188
   65    HB3  ASP   9           HB1      ASP   9   3.552 -10.772   5.834
   66    H    ALA  10           HN       ALA  10   2.851  -7.245   7.084
   67    HA   ALA  10           HA       ALA  10   4.578  -5.266   6.043
   68    HB1  ALA  10           HB1      ALA  10   2.126  -5.010   6.062
   69    HB2  ALA  10           HB2      ALA  10   2.936  -3.625   6.786
   70    HB3  ALA  10           HB3      ALA  10   2.166  -4.825   7.819
   71    H    GLU  11           HN       GLU  11   4.124  -6.400   9.303
   72    HA   GLU  11           HA       GLU  11   5.411  -4.210  10.620
   73    HB2  GLU  11           HB2      GLU  11   3.871  -5.818  11.781
   74    HB3  GLU  11           HB1      GLU  11   5.092  -7.071  11.598
   75    HG2  GLU  11           HG2      GLU  11   5.170  -6.197  13.818
   76    HG3  GLU  11           HG1      GLU  11   6.631  -5.709  12.957
   77    H    LEU  12           HN       LEU  12   6.393  -7.367   9.475
   78    HA   LEU  12           HA       LEU  12   9.055  -7.420  10.351
   79    HB2  LEU  12           HB2      LEU  12   7.689  -8.677   7.965
   80    HB3  LEU  12           HB1      LEU  12   9.402  -8.859   8.225
   81    HG   LEU  12           HG       LEU  12   9.115 -10.217  10.120
   82   HD11  LEU  12          HD11      LEU  12   6.999 -10.551  11.287
   83   HD12  LEU  12          HD12      LEU  12   6.219  -9.385  10.218
   84   HD13  LEU  12          HD13      LEU  12   7.486  -8.856  11.324
   85   HD21  LEU  12          HD21      LEU  12   8.535 -11.348   8.049
   86   HD22  LEU  12          HD22      LEU  12   6.852 -10.849   8.239
   87   HD23  LEU  12          HD23      LEU  12   7.575 -11.972   9.393
   88    H    GLN  13           HN       GLN  13   7.622  -6.096   7.427
   89    HA   GLN  13           HA       GLN  13   9.983  -5.330   6.124
   90    HB2  GLN  13           HB2      GLN  13   7.226  -4.107   5.956
   91    HB3  GLN  13           HB1      GLN  13   8.541  -3.787   4.838
   92    HG2  GLN  13           HG2      GLN  13   8.555  -6.116   4.155
   93    HG3  GLN  13           HG1      GLN  13   7.270  -6.469   5.309
   94   HE21  GLN  13          HE21      GLN  13   5.891  -7.170   3.717
   95   HE22  GLN  13          HE22      GLN  13   5.131  -6.099   2.595
   96    H    ARG  14           HN       ARG  14   7.863  -3.519   8.322
   97    HA   ARG  14           HA       ARG  14   9.296  -1.077   8.119
   98    HB2  ARG  14           HB2      ARG  14   6.988  -1.138   8.991
   99    HB3  ARG  14           HB1      ARG  14   7.548  -2.014  10.414
  100    HG2  ARG  14           HG2      ARG  14   8.979  -0.075  10.985
  101    HG3  ARG  14           HG1      ARG  14   8.281   0.797   9.621
  102    HD2  ARG  14           HD2      ARG  14   7.174   1.430  11.683
  103    HD3  ARG  14           HD1      ARG  14   6.057   0.564  10.631
  104    HE   ARG  14           HE       ARG  14   6.525  -1.431  12.057
  105   HH11  ARG  14          HH11      ARG  14   7.000   1.797  13.376
  106   HH12  ARG  14          HH12      ARG  14   6.742   1.294  15.007
  107   HH21  ARG  14          HH21      ARG  14   6.186  -2.075  14.173
  108   HH22  ARG  14          HH22      ARG  14   6.286  -0.930  15.480
  109    H    LEU  15           HN       LEU  15   9.531  -3.768  10.342
  110    HA   LEU  15           HA       LEU  15  11.345  -2.606  12.171
  111    HB2  LEU  15           HB2      LEU  15  11.070  -5.521  11.439
  112    HB3  LEU  15           HB1      LEU  15  11.927  -4.907  12.837
  113    HG   LEU  15           HG       LEU  15   8.963  -4.761  12.334
  114   HD11  LEU  15          HD11      LEU  15  10.571  -6.261  14.382
  115   HD12  LEU  15          HD12      LEU  15   9.736  -6.954  12.993
  116   HD13  LEU  15          HD13      LEU  15   8.811  -6.201  14.292
  117   HD21  LEU  15          HD21      LEU  15  10.577  -3.685  14.647
  118   HD22  LEU  15          HD22      LEU  15   8.819  -3.772  14.585
  119   HD23  LEU  15          HD23      LEU  15   9.687  -2.731  13.460
  120    H    LYS  16           HN       LYS  16  11.875  -4.507   9.308
  121    HA   LYS  16           HA       LYS  16  14.749  -4.454   9.558
  122    HB2  LYS  16           HB2      LYS  16  13.632  -6.264   8.291
  123    HB3  LYS  16           HB1      LYS  16  13.126  -5.090   7.083
  124    HG2  LYS  16           HG2      LYS  16  15.403  -4.678   6.443
  125    HG3  LYS  16           HG1      LYS  16  15.999  -5.674   7.768
  126    HD2  LYS  16           HD2      LYS  16  16.177  -7.055   5.883
  127    HD3  LYS  16           HD1      LYS  16  14.698  -7.593   6.669
  128    HE2  LYS  16           HE2      LYS  16  14.794  -5.647   4.360
  129    HE3  LYS  16           HE1      LYS  16  14.539  -7.380   4.184
  130    HZ1  LYS  16           HZ1      LYS  16  12.763  -5.422   5.521
  131    HZ2  LYS  16           HZ2      LYS  16  12.553  -7.098   5.640
  132    HZ3  LYS  16           HZ3      LYS  16  12.441  -6.338   4.140
  133    H    ASN  17           HN       ASN  17  12.388  -2.586   7.785
  134    HA   ASN  17           HA       ASN  17  14.243  -1.020   6.295
  135    HB2  ASN  17           HB2      ASN  17  11.849  -1.134   5.665
  136    HB3  ASN  17           HB1      ASN  17  11.422  -0.268   7.140
  137   HD21  ASN  17          HD21      ASN  17  12.918  -0.039   4.008
  138   HD22  ASN  17          HD22      ASN  17  12.892   1.686   3.913
  139    H    GLU  18           HN       GLU  18  12.814  -0.706   9.468
  140    HA   GLU  18           HA       GLU  18  13.648   1.872  10.140
  141    HB2  GLU  18           HB2      GLU  18  12.076   0.392  11.434
  142    HB3  GLU  18           HB1      GLU  18  13.470  -0.522  11.982
  143    HG2  GLU  18           HG2      GLU  18  12.801   0.997  13.701
  144    HG3  GLU  18           HG1      GLU  18  14.345   1.530  13.042
  145    H    ARG  19           HN       ARG  19  15.333  -1.216  10.169
  146    HA   ARG  19           HA       ARG  19  17.622  -0.308  11.582
  147    HB2  ARG  19           HB2      ARG  19  17.450  -2.623   9.646
  148    HB3  ARG  19           HB1      ARG  19  18.693  -2.370  10.863
  149    HG2  ARG  19           HG2      ARG  19  15.789  -3.011  11.317
  150    HG3  ARG  19           HG1      ARG  19  17.189  -4.018  11.688
  151    HD2  ARG  19           HD2      ARG  19  17.899  -2.503  13.410
  152    HD3  ARG  19           HD1      ARG  19  16.666  -1.331  12.949
  153    HE   ARG  19           HE       ARG  19  15.813  -3.972  13.863
  154   HH11  ARG  19          HH11      ARG  19  16.095  -0.522  14.479
  155   HH12  ARG  19          HH12      ARG  19  14.957  -0.538  15.776
  156   HH21  ARG  19          HH21      ARG  19  14.297  -3.973  15.585
  157   HH22  ARG  19          HH22      ARG  19  13.928  -2.498  16.406
  158    H    HIS  20           HN       HIS  20  16.702  -0.241   8.225
  159    HA   HIS  20           HA       HIS  20  19.185   0.438   7.092
  160    HB2  HIS  20           HB2      HIS  20  16.384   1.258   6.274
  161    HB3  HIS  20           HB1      HIS  20  17.811   1.692   5.347
  162    HD1  HIS  20           HD1      HIS  20  17.655   0.288   3.308
  163    HD2  HIS  20           HD2      HIS  20  16.899  -1.902   6.759
  164    HE1  HIS  20           HE1      HIS  20  17.378  -2.085   2.548
  165    H    GLU  21           HN       GLU  21  16.683   2.472   8.529
  166    HA   GLU  21           HA       GLU  21  18.041   4.959   8.204
  167    HB2  GLU  21           HB2      GLU  21  15.611   4.847   8.663
  168    HB3  GLU  21           HB1      GLU  21  15.939   4.186  10.260
  169    HG2  GLU  21           HG2      GLU  21  17.140   6.302  10.802
  170    HG3  GLU  21           HG1      GLU  21  16.594   6.943   9.253
  171    H    GLU  22           HN       GLU  22  18.151   2.433  10.574
  172    HA   GLU  22           HA       GLU  22  19.465   3.834  12.655
  173    HB2  GLU  22           HB2      GLU  22  18.340   1.688  13.071
  174    HB3  GLU  22           HB1      GLU  22  19.481   0.862  12.023
  175    HG2  GLU  22           HG2      GLU  22  20.011   0.465  14.333
  176    HG3  GLU  22           HG1      GLU  22  21.288   1.411  13.571
  177    H    ALA  23           HN       ALA  23  20.730   1.707  10.049
  178    HA   ALA  23           HA       ALA  23  23.437   2.006  10.705
  179    HB1  ALA  23           HB1      ALA  23  23.912   1.178   8.461
  180    HB2  ALA  23           HB2      ALA  23  22.241   1.444   7.981
  181    HB3  ALA  23           HB3      ALA  23  22.629   0.233   9.208
  182    H    GLU  24           HN       GLU  24  21.264   4.132   9.135
  183    HA   GLU  24           HA       GLU  24  23.230   5.686   7.738
  184    HB2  GLU  24           HB2      GLU  24  20.389   6.376   8.546
  185    HB3  GLU  24           HB1      GLU  24  21.430   7.443   7.620
  186    HG2  GLU  24           HG2      GLU  24  20.550   4.695   6.784
  187    HG3  GLU  24           HG1      GLU  24  19.881   6.218   6.203
  188    H    LEU  25           HN       LEU  25  21.413   6.226  10.747
  189    HA   LEU  25           HA       LEU  25  22.865   8.506  11.552
  190    HB2  LEU  25           HB2      LEU  25  21.380   6.490  13.235
  191    HB3  LEU  25           HB1      LEU  25  21.919   8.063  13.787
  192    HG   LEU  25           HG       LEU  25  19.863   7.567  11.635
  193   HD11  LEU  25          HD11      LEU  25  19.570   8.571  14.456
  194   HD12  LEU  25          HD12      LEU  25  19.056   6.998  13.851
  195   HD13  LEU  25          HD13      LEU  25  18.281   8.467  13.257
  196   HD21  LEU  25          HD21      LEU  25  20.851  10.138  12.869
  197   HD22  LEU  25          HD22      LEU  25  19.480   9.994  11.770
  198   HD23  LEU  25          HD23      LEU  25  21.105   9.610  11.205
  199    H    GLU  26           HN       GLU  26  23.242   5.119  12.214
  200    HA   GLU  26           HA       GLU  26  25.412   5.231  13.975
  201    HB2  GLU  26           HB2      GLU  26  24.217   3.141  13.433
  202    HB3  GLU  26           HB1      GLU  26  24.986   3.132  11.851
  203    HG2  GLU  26           HG2      GLU  26  27.170   2.943  12.900
  204    HG3  GLU  26           HG1      GLU  26  26.414   2.979  14.491
  205    H    ARG  27           HN       ARG  27  25.461   5.133  10.420
  206    HA   ARG  27           HA       ARG  27  28.288   5.262  10.181
  207    HB2  ARG  27           HB2      ARG  27  26.804   4.577   8.298
  208    HB3  ARG  27           HB1      ARG  27  26.233   6.238   8.172
  209    HG2  ARG  27           HG2      ARG  27  28.488   6.973   7.609
  210    HG3  ARG  27           HG1      ARG  27  29.065   5.314   7.749
  211    HD2  ARG  27           HD2      ARG  27  28.715   5.798   5.433
  212    HD3  ARG  27           HD1      ARG  27  27.467   4.675   5.954
  213    HE   ARG  27           HE       ARG  27  27.097   7.543   5.425
  214   HH11  ARG  27          HH11      ARG  27  25.738   4.324   5.871
  215   HH12  ARG  27          HH12      ARG  27  24.142   4.800   5.378
  216   HH21  ARG  27          HH21      ARG  27  24.987   8.147   4.728
  217   HH22  ARG  27          HH22      ARG  27  23.716   6.966   4.731
  218    H    LEU  28           HN       LEU  28  25.872   7.610  10.792
  219    HA   LEU  28           HA       LEU  28  27.365   9.939  10.069
  220    HB2  LEU  28           HB2      LEU  28  24.902   9.991  10.327
  221    HB3  LEU  28           HB1      LEU  28  25.073   9.657  12.040
  222    HG   LEU  28           HG       LEU  28  26.259  11.829  12.291
  223   HD11  LEU  28          HD11      LEU  28  25.406  12.224   9.430
  224   HD12  LEU  28          HD12      LEU  28  27.064  12.088  10.019
  225   HD13  LEU  28          HD13      LEU  28  26.071  13.467  10.489
  226   HD21  LEU  28          HD21      LEU  28  23.886  11.620  12.798
  227   HD22  LEU  28          HD22      LEU  28  23.485  11.948  11.112
  228   HD23  LEU  28          HD23      LEU  28  24.240  13.200  12.100
  229    H    LYS  29           HN       LYS  29  27.192   7.866  12.855
  230    HA   LYS  29           HA       LYS  29  28.649   9.657  14.586
  231    HB2  LYS  29           HB2      LYS  29  28.006   6.721  14.929
  232    HB3  LYS  29           HB1      LYS  29  28.640   7.788  16.166
  233    HG2  LYS  29           HG2      LYS  29  26.565   9.120  16.030
  234    HG3  LYS  29           HG1      LYS  29  25.932   7.950  14.869
  235    HD2  LYS  29           HD2      LYS  29  26.191   6.169  16.539
  236    HD3  LYS  29           HD1      LYS  29  26.789   7.356  17.699
  237    HE2  LYS  29           HE2      LYS  29  24.464   6.907  18.131
  238    HE3  LYS  29           HE1      LYS  29  24.639   8.554  17.528
  239    HZ1  LYS  29           HZ1      LYS  29  22.766   7.358  16.535
  240    HZ2  LYS  29           HZ2      LYS  29  23.826   6.223  15.880
  241    HZ3  LYS  29           HZ3      LYS  29  23.896   7.840  15.375
  242    H    SER  30           HN       SER  30  29.352   7.272  12.204
  243    HA   SER  30           HA       SER  30  31.948   6.603  13.260
  244    HB2  SER  30           HB2      SER  30  30.770   5.958  10.546
  245    HB3  SER  30           HB1      SER  30  32.130   5.158  11.333
  246    HG   SER  30           HG       SER  30  29.860   5.166  12.865
  247    H    GLU  31           HN       GLU  31  30.584   8.360  10.500
  248    HA   GLU  31           HA       GLU  31  32.971   9.202   9.337
  249    HB2  GLU  31           HB2      GLU  31  30.222  10.432   9.346
  250    HB3  GLU  31           HB1      GLU  31  31.553  11.080   8.397
  251    HG2  GLU  31           HG2      GLU  31  30.408   8.307   8.154
  252    HG3  GLU  31           HG1      GLU  31  30.094   9.657   7.062
  253    H    ARG  32           HN       ARG  32  30.948  10.832  11.762
  254    HA   ARG  32           HA       ARG  32  32.550  13.167  11.868
  255    HB2  ARG  32           HB2      ARG  32  30.528  12.049  13.802
  256    HB3  ARG  32           HB1      ARG  32  31.316  13.608  14.008
  257    HG2  ARG  32           HG2      ARG  32  30.389  14.358  11.879
  258    HG3  ARG  32           HG1      ARG  32  29.587  12.801  11.681
  259    HD2  ARG  32           HD2      ARG  32  28.283  13.204  13.688
  260    HD3  ARG  32           HD1      ARG  32  29.125  14.733  13.945
  261    HE   ARG  32           HE       ARG  32  27.927  14.665  11.379
  262   HH11  ARG  32          HH11      ARG  32  27.170  15.062  14.770
  263   HH12  ARG  32          HH12      ARG  32  25.766  16.030  14.485
  264   HH21  ARG  32          HH21      ARG  32  26.061  15.933  10.976
  265   HH22  ARG  32          HH22      ARG  32  25.122  16.518  12.303
  266    H    HIS  33           HN       HIS  33  32.887  10.071  13.240
  267    HA   HIS  33           HA       HIS  33  34.661  10.895  15.361
  268    HB2  HIS  33           HB2      HIS  33  33.315   8.956  15.787
  269    HB3  HIS  33           HB1      HIS  33  33.821   8.200  14.283
  270    HD1  HIS  33           HD1      HIS  33  35.954   6.815  14.317
  271    HD2  HIS  33           HD2      HIS  33  35.288   8.907  17.862
  272    HE1  HIS  33           HE1      HIS  33  37.634   5.927  15.955
  273    H    ASP  34           HN       ASP  34  34.929   9.278  12.230
  274    HA   ASP  34           HA       ASP  34  37.805   9.131  12.542
  275    HB2  ASP  34           HB2      ASP  34  35.939   7.833  10.595
  276    HB3  ASP  34           HB1      ASP  34  37.671   7.895  10.288
  277    H    HIS  35           HN       HIS  35  35.786  11.406  11.223
  278    HA   HIS  35           HA       HIS  35  37.315  12.083   8.892
  279    HB2  HIS  35           HB2      HIS  35  35.286  13.657  10.474
  280    HB3  HIS  35           HB1      HIS  35  36.236  14.426   9.215
  281    HD2  HIS  35           HD2      HIS  35  35.659  11.129   7.719
  282    HE1  HIS  35           HE1      HIS  35  32.122  13.283   6.820
  283    HE2  HIS  35           HE2      HIS  35  33.354  11.106   6.549
  284    H    ASP  36           HN       ASP  36  37.660  12.833  12.251
  285    HA   ASP  36           HA       ASP  36  39.585  14.929  11.864
  286    HB2  ASP  36           HB2      ASP  36  38.907  13.323  14.346
  287    HB3  ASP  36           HB1      ASP  36  39.985  14.710  14.313
  288    H    LYS  37           HN       LYS  37  39.673  11.493  12.361
  289    HA   LYS  37           HA       LYS  37  42.612  11.502  12.451
  290    HB2  LYS  37           HB2      LYS  37  42.337   9.117  13.187
  291    HB3  LYS  37           HB1      LYS  37  41.650  10.295  14.295
  292    HG2  LYS  37           HG2      LYS  37  39.425   9.849  13.365
  293    HG3  LYS  37           HG1      LYS  37  40.123   8.631  12.298
  294    HD2  LYS  37           HD2      LYS  37  40.272   8.549  15.314
  295    HD3  LYS  37           HD1      LYS  37  39.051   7.709  14.361
  296    HE2  LYS  37           HE2      LYS  37  42.036   7.273  14.206
  297    HE3  LYS  37           HE1      LYS  37  40.879   6.214  15.003
  298    HZ1  LYS  37           HZ1      LYS  37  41.301   5.273  12.912
  299    HZ2  LYS  37           HZ2      LYS  37  41.164   6.743  12.105
  300    HZ3  LYS  37           HZ3      LYS  37  39.779   6.005  12.744
  301    H    LYS  38           HN       LYS  38  41.101  11.978  10.060
  302    HA   LYS  38           HA       LYS  38  41.159   9.536   8.521
  303    HB2  LYS  38           HB2      LYS  38  39.411  11.261   8.140
  304    HB3  LYS  38           HB1      LYS  38  40.652  12.365   7.564
  305    HG2  LYS  38           HG2      LYS  38  41.141  10.876   5.722
  306    HG3  LYS  38           HG1      LYS  38  39.933   9.730   6.307
  307    HD2  LYS  38           HD2      LYS  38  38.181  11.378   5.968
  308    HD3  LYS  38           HD1      LYS  38  39.376  12.572   5.458
  309    HE2  LYS  38           HE2      LYS  38  38.788   9.962   4.067
  310    HE3  LYS  38           HE1      LYS  38  38.231  11.549   3.545
  311    HZ1  LYS  38           HZ1      LYS  38  40.545  12.213   3.269
  312    HZ2  LYS  38           HZ2      LYS  38  40.175  10.872   2.312
  313    HZ3  LYS  38           HZ3      LYS  38  41.060  10.671   3.731
  314    H    GLU  39           HN       GLU  39  43.183  12.381   8.893
  315    HA   GLU  39           HA       GLU  39  45.314  11.001   7.496
  316    HB2  GLU  39           HB2      GLU  39  44.198  12.165   5.663
  317    HB3  GLU  39           HB1      GLU  39  44.293  13.683   6.538
  318    HG2  GLU  39           HG2      GLU  39  45.986  13.765   4.929
  319    HG3  GLU  39           HG1      GLU  39  46.798  13.431   6.455
  320    H    ALA  40           HN       ALA  40  44.892  14.428   8.157
  321    HA   ALA  40           HA       ALA  40  46.241  14.757  10.554
  322    HB1  ALA  40           HB1      ALA  40  48.132  14.906   8.191
  323    HB2  ALA  40           HB2      ALA  40  48.183  13.697   9.473
  324    HB3  ALA  40           HB3      ALA  40  48.517  15.389   9.842
  325    H    GLU  41           HN       GLU  41  45.105  15.775   7.582
  326    HA   GLU  41           HA       GLU  41  45.703  18.582   7.827
  327    HB2  GLU  41           HB2      GLU  41  43.880  17.159   5.869
  328    HB3  GLU  41           HB1      GLU  41  44.553  18.775   5.705
  329    HG2  GLU  41           HG2      GLU  41  46.763  17.899   5.421
  330    HG3  GLU  41           HG1      GLU  41  46.212  16.266   5.790
  331    H    ARG  42           HN       ARG  42  44.544  18.016  10.032
  332    HA   ARG  42           HA       ARG  42  41.784  18.742   9.821
  333    HB2  ARG  42           HB2      ARG  42  42.112  16.333  10.407
  334    HB3  ARG  42           HB1      ARG  42  43.016  16.845  11.824
  335    HG2  ARG  42           HG2      ARG  42  40.814  16.305  12.514
  336    HG3  ARG  42           HG1      ARG  42  40.993  18.056  12.593
  337    HD2  ARG  42           HD2      ARG  42  39.816  18.314  10.493
  338    HD3  ARG  42           HD1      ARG  42  39.713  16.562  10.307
  339    HE   ARG  42           HE       ARG  42  38.552  17.251  12.754
  340   HH11  ARG  42          HH11      ARG  42  37.911  17.627   9.311
  341   HH12  ARG  42          HH12      ARG  42  36.198  17.734   9.528
  342   HH21  ARG  42          HH21      ARG  42  36.302  17.380  13.014
  343   HH22  ARG  42          HH22      ARG  42  35.279  17.585  11.631
  344    H    LYS  43           HN       LYS  43  41.173  19.988  11.336
  345    HA   LYS  43           HA       LYS  43  42.599  22.128  12.268
  346    HB2  LYS  43           HB2      LYS  43  40.068  20.991  13.422
  347    HB3  LYS  43           HB1      LYS  43  40.752  22.529  13.926
  348    HG2  LYS  43           HG2      LYS  43  40.582  23.311  11.586
  349    HG3  LYS  43           HG1      LYS  43  39.765  21.800  11.182
  350    HD2  LYS  43           HD2      LYS  43  37.993  22.317  12.761
  351    HD3  LYS  43           HD1      LYS  43  38.823  23.798  13.233
  352    HE2  LYS  43           HE2      LYS  43  37.022  24.284  11.668
  353    HE3  LYS  43           HE1      LYS  43  38.590  24.660  10.958
  354    HZ1  LYS  43           HZ1      LYS  43  37.108  23.521   9.417
  355    HZ2  LYS  43           HZ2      LYS  43  37.032  22.183  10.443
  356    HZ3  LYS  43           HZ3      LYS  43  38.499  22.609   9.716
  357    H    ALA  44           HN       ALA  44  42.444  19.038  13.806
  358    HA   ALA  44           HA       ALA  44  43.127  19.845  16.449
  359    HB1  ALA  44           HB1      ALA  44  43.806  17.534  16.828
  360    HB2  ALA  44           HB2      ALA  44  43.771  17.209  15.099
  361    HB3  ALA  44           HB3      ALA  44  42.275  17.578  15.961
  362    H    LEU  45           HN       LEU  45  44.938  19.106  13.626
  363    HA   LEU  45           HA       LEU  45  47.486  19.548  14.971
  364    HB2  LEU  45           HB2      LEU  45  46.895  18.848  12.094
  365    HB3  LEU  45           HB1      LEU  45  48.506  19.057  12.748
  366    HG   LEU  45           HG       LEU  45  47.877  17.169  14.388
  367   HD11  LEU  45          HD11      LEU  45  46.224  15.578  13.568
  368   HD12  LEU  45          HD12      LEU  45  45.788  16.691  12.271
  369   HD13  LEU  45          HD13      LEU  45  45.486  17.133  13.951
  370   HD21  LEU  45          HD21      LEU  45  48.495  15.457  12.730
  371   HD22  LEU  45          HD22      LEU  45  49.514  16.892  12.663
  372   HD23  LEU  45          HD23      LEU  45  48.256  16.650  11.451
  373    H    GLU  46           HN       GLU  46  45.600  20.972  12.343
  374    HA   GLU  46           HA       GLU  46  47.243  23.127  11.723
  375    HB2  GLU  46           HB2      GLU  46  44.227  23.062  11.673
  376    HB3  GLU  46           HB1      GLU  46  45.234  24.236  10.847
  377    HG2  GLU  46           HG2      GLU  46  46.230  22.359   9.547
  378    HG3  GLU  46           HG1      GLU  46  45.040  21.289  10.290
  379    H    ASP  47           HN       ASP  47  45.083  22.714  14.413
  380    HA   ASP  47           HA       ASP  47  44.634  25.291  15.303
  381    HB2  ASP  47           HB2      ASP  47  43.667  23.325  16.420
  382    HB3  ASP  47           HB1      ASP  47  45.258  22.879  17.033
  383    H    LYS  48           HN       LYS  48  47.490  23.305  15.864
  384    HA   LYS  48           HA       LYS  48  48.809  25.608  17.086
  385    HB2  LYS  48           HB2      LYS  48  50.565  23.888  17.729
  386    HB3  LYS  48           HB1      LYS  48  48.993  23.711  18.490
  387    HG2  LYS  48           HG2      LYS  48  48.621  22.080  16.407
  388    HG3  LYS  48           HG1      LYS  48  50.376  21.955  16.547
  389    HD2  LYS  48           HD2      LYS  48  50.163  21.319  18.884
  390    HD3  LYS  48           HD1      LYS  48  48.412  21.504  18.793
  391    HE2  LYS  48           HE2      LYS  48  48.806  19.193  18.598
  392    HE3  LYS  48           HE1      LYS  48  48.469  19.748  16.960
  393    HZ1  LYS  48           HZ1      LYS  48  51.094  19.065  18.142
  394    HZ2  LYS  48           HZ2      LYS  48  50.961  19.892  16.688
  395    HZ3  LYS  48           HZ3      LYS  48  50.346  18.327  16.819
  396    H    LEU  49           HN       LEU  49  49.319  23.141  14.616
  397    HA   LEU  49           HA       LEU  49  50.164  23.229  12.531
  398    HB2  LEU  49           HB2      LEU  49  49.366  25.548  12.409
  399    HB3  LEU  49           HB1      LEU  49  50.865  26.089  13.133
  400    HG   LEU  49           HG       LEU  49  52.097  25.259  11.177
  401   HD11  LEU  49          HD11      LEU  49  49.343  24.656  10.095
  402   HD12  LEU  49          HD12      LEU  49  50.592  23.472  10.484
  403   HD13  LEU  49          HD13      LEU  49  50.841  24.616   9.166
  404   HD21  LEU  49          HD21      LEU  49  51.250  26.966   9.635
  405   HD22  LEU  49          HD22      LEU  49  51.386  27.536  11.305
  406   HD23  LEU  49          HD23      LEU  49  49.809  27.103  10.648
  407    H    ALA  50           HN       ALA  50  52.041  24.731  15.064
  408    HA   ALA  50           HA       ALA  50  54.562  23.851  13.987
  409    HB1  ALA  50           HB1      ALA  50  54.452  25.845  15.408
  410    HB2  ALA  50           HB2      ALA  50  55.487  24.615  16.135
  411    HB3  ALA  50           HB3      ALA  50  53.851  24.863  16.744
  412    H    ASP  51           HN       ASP  51  55.667  21.984  14.528
  413    HA   ASP  51           HA       ASP  51  55.671  19.734  14.757
  414    HB2  ASP  51           HB2      ASP  51  54.925  20.658  17.535
  415    HB3  ASP  51           HB1      ASP  51  55.385  19.000  17.162
  416    H    TYR  52           HN       TYR  52  54.198  18.869  13.482
  417    HA   TYR  52           HA       TYR  52  51.401  19.056  13.830
  418    HB2  TYR  52           HB2      TYR  52  53.076  17.206  12.132
  419    HB3  TYR  52           HB1      TYR  52  51.321  17.254  12.064
  420    HD1  TYR  52           HD1      TYR  52  54.369  19.307  11.541
  421    HD2  TYR  52           HD2      TYR  52  50.211  18.879  10.750
  422    HE1  TYR  52           HE1      TYR  52  54.502  21.129   9.905
  423    HE2  TYR  52           HE2      TYR  52  50.334  20.708   9.105
  424    HH   TYR  52           HH       TYR  52  53.296  21.923   7.945
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  -2.593 -22.976  13.535
    2    H2   GLY   1           HT2      GLY   1  -2.039 -23.696  14.964
    3    H3   GLY   1           HT3      GLY   1  -0.974 -23.429  13.679
    4    HA2  GLY   1           HA1      GLY   1  -2.313 -21.325  15.256
    5    HA3  GLY   1           HA2      GLY   1  -0.632 -21.816  15.421
    6    H    SER   2           HN       SER   2  -2.054 -19.290  14.561
    7    HA   SER   2           HA       SER   2  -0.203 -18.571  12.481
    8    HB2  SER   2           HB2      SER   2  -3.181 -18.534  11.937
    9    HB3  SER   2           HB1      SER   2  -1.970 -17.735  10.935
   10    HG   SER   2           HG       SER   2  -1.386 -20.360  11.423
   11    H    VAL   3           HN       VAL   3   0.633 -16.805  13.298
   12    HA   VAL   3           HA       VAL   3  -1.105 -15.138  14.850
   13    HB   VAL   3           HB       VAL   3   1.049 -13.955  15.498
   14   HG11  VAL   3          HG11      VAL   3  -0.052 -15.548  16.954
   15   HG12  VAL   3          HG12      VAL   3   1.698 -15.736  17.062
   16   HG13  VAL   3          HG13      VAL   3   0.743 -16.886  16.127
   17   HG21  VAL   3          HG21      VAL   3   3.131 -15.216  15.157
   18   HG22  VAL   3          HG22      VAL   3   2.440 -14.673  13.631
   19   HG23  VAL   3          HG23      VAL   3   2.269 -16.354  14.126
   20    H    GLU   4           HN       GLU   4  -1.957 -13.281  13.819
   21    HA   GLU   4           HA       GLU   4  -2.345 -11.630  12.344
   22    HB2  GLU   4           HB2      GLU   4   0.649 -11.327  12.572
   23    HB3  GLU   4           HB1      GLU   4  -0.473 -10.094  12.011
   24    HG2  GLU   4           HG2      GLU   4  -0.364 -11.293  14.772
   25    HG3  GLU   4           HG1      GLU   4   0.163  -9.679  14.301
   26    H    LYS   5           HN       LYS   5  -2.494 -13.878  10.778
   27    HA   LYS   5           HA       LYS   5  -0.410 -13.893   8.764
   28    HB2  LYS   5           HB2      LYS   5  -1.337 -16.025   9.592
   29    HB3  LYS   5           HB1      LYS   5  -2.923 -15.572   8.991
   30    HG2  LYS   5           HG2      LYS   5  -2.174 -15.699   6.718
   31    HG3  LYS   5           HG1      LYS   5  -0.501 -15.914   7.230
   32    HD2  LYS   5           HD2      LYS   5  -2.675 -17.845   7.991
   33    HD3  LYS   5           HD1      LYS   5  -1.775 -17.997   6.482
   34    HE2  LYS   5           HE2      LYS   5   0.319 -18.123   7.749
   35    HE3  LYS   5           HE1      LYS   5  -0.579 -17.958   9.254
   36    HZ1  LYS   5           HZ1      LYS   5  -1.610 -20.043   8.915
   37    HZ2  LYS   5           HZ2      LYS   5   0.047 -20.275   8.634
   38    HZ3  LYS   5           HZ3      LYS   5  -1.021 -20.167   7.333
   39    H    LEU   6           HN       LEU   6  -2.719 -11.836   9.228
   40    HA   LEU   6           HA       LEU   6  -3.793 -11.734   6.513
   41    HB2  LEU   6           HB2      LEU   6  -5.371 -11.393   8.399
   42    HB3  LEU   6           HB1      LEU   6  -4.437 -10.005   8.921
   43    HG   LEU   6           HG       LEU   6  -5.001  -8.856   6.811
   44   HD11  LEU   6          HD11      LEU   6  -6.756 -11.261   6.327
   45   HD12  LEU   6          HD12      LEU   6  -5.339 -10.796   5.384
   46   HD13  LEU   6          HD13      LEU   6  -6.772  -9.770   5.388
   47   HD21  LEU   6          HD21      LEU   6  -7.351  -8.435   7.366
   48   HD22  LEU   6          HD22      LEU   6  -6.338  -8.481   8.809
   49   HD23  LEU   6          HD23      LEU   6  -7.357  -9.862   8.404
   50    H    THR   7           HN       THR   7  -1.824  -9.939   8.827
   51    HA   THR   7           HA       THR   7  -0.470  -8.643   6.684
   52    HB   THR   7           HB       THR   7  -1.735  -7.039   8.925
   53    HG1  THR   7           HG1      THR   7  -2.678  -7.823   6.514
   54   HG21  THR   7          HG21      THR   7  -0.868  -5.105   7.679
   55   HG22  THR   7          HG22      THR   7  -0.120  -6.191   6.509
   56   HG23  THR   7          HG23      THR   7   0.442  -6.172   8.181
   57    H    ALA   8           HN       ALA   8   1.387  -9.848   7.507
   58    HA   ALA   8           HA       ALA   8   2.402  -8.835  10.075
   59    HB1  ALA   8           HB1      ALA   8   2.887 -11.575   8.897
   60    HB2  ALA   8           HB2      ALA   8   1.814 -11.212  10.249
   61    HB3  ALA   8           HB3      ALA   8   3.553 -10.961  10.409
   62    H    ASP   9           HN       ASP   9   3.003  -9.666   6.783
   63    HA   ASP   9           HA       ASP   9   5.808  -9.480   6.702
   64    HB2  ASP   9           HB2      ASP   9   5.574  -9.170   4.291
   65    HB3  ASP   9           HB1      ASP   9   4.482 -10.428   4.854
   66    H    ALA  10           HN       ALA  10   3.297  -7.072   6.419
   67    HA   ALA  10           HA       ALA  10   4.832  -4.853   5.724
   68    HB1  ALA  10           HB1      ALA  10   2.377  -4.858   7.494
   69    HB2  ALA  10           HB2      ALA  10   2.380  -4.789   5.728
   70    HB3  ALA  10           HB3      ALA  10   3.057  -3.462   6.664
   71    H    GLU  11           HN       GLU  11   4.316  -6.307   8.882
   72    HA   GLU  11           HA       GLU  11   5.609  -4.166  10.302
   73    HB2  GLU  11           HB2      GLU  11   4.946  -6.976  11.216
   74    HB3  GLU  11           HB1      GLU  11   5.517  -5.679  12.252
   75    HG2  GLU  11           HG2      GLU  11   3.482  -4.384  11.639
   76    HG3  GLU  11           HG1      GLU  11   2.889  -5.806  10.785
   77    H    LEU  12           HN       LEU  12   6.587  -6.856   8.522
   78    HA   LEU  12           HA       LEU  12   9.134  -7.226   9.853
   79    HB2  LEU  12           HB2      LEU  12   8.401  -8.259   7.115
   80    HB3  LEU  12           HB1      LEU  12   9.583  -8.908   8.228
   81    HG   LEU  12           HG       LEU  12   6.581  -9.148   8.381
   82   HD11  LEU  12          HD11      LEU  12   8.753 -11.198   8.213
   83   HD12  LEU  12          HD12      LEU  12   7.660 -10.702   6.918
   84   HD13  LEU  12          HD13      LEU  12   7.023 -11.515   8.346
   85   HD21  LEU  12          HD21      LEU  12   7.354  -8.659  10.602
   86   HD22  LEU  12          HD22      LEU  12   8.595  -9.916  10.482
   87   HD23  LEU  12          HD23      LEU  12   6.880 -10.350  10.471
   88    H    GLN  13           HN       GLN  13   7.765  -5.711   7.049
   89    HA   GLN  13           HA       GLN  13  10.157  -4.812   5.822
   90    HB2  GLN  13           HB2      GLN  13   7.876  -4.855   4.724
   91    HB3  GLN  13           HB1      GLN  13   7.443  -3.460   5.707
   92    HG2  GLN  13           HG2      GLN  13   8.036  -2.686   3.549
   93    HG3  GLN  13           HG1      GLN  13   9.335  -2.235   4.652
   94   HE21  GLN  13          HE21      GLN  13   8.378  -4.317   2.058
   95   HE22  GLN  13          HE22      GLN  13   9.964  -4.852   1.627
   96    H    ARG  14           HN       ARG  14   8.017  -3.462   8.263
   97    HA   ARG  14           HA       ARG  14   9.219  -0.914   8.457
   98    HB2  ARG  14           HB2      ARG  14   7.711  -2.484  10.560
   99    HB3  ARG  14           HB1      ARG  14   8.108  -0.777  10.665
  100    HG2  ARG  14           HG2      ARG  14   6.742  -0.338   8.685
  101    HG3  ARG  14           HG1      ARG  14   6.333  -2.051   8.596
  102    HD2  ARG  14           HD2      ARG  14   4.534  -0.855   9.665
  103    HD3  ARG  14           HD1      ARG  14   5.329  -1.891  10.848
  104    HE   ARG  14           HE       ARG  14   6.430   0.729  10.862
  105   HH11  ARG  14          HH11      ARG  14   3.623  -1.092  11.901
  106   HH12  ARG  14          HH12      ARG  14   3.284  -0.067  13.253
  107   HH21  ARG  14          HH21      ARG  14   5.982   2.114  12.633
  108   HH22  ARG  14          HH22      ARG  14   4.645   1.781  13.676
  109    H    LEU  15           HN       LEU  15   9.829  -3.983  10.036
  110    HA   LEU  15           HA       LEU  15  11.756  -3.165  11.894
  111    HB2  LEU  15           HB2      LEU  15  10.759  -5.404  11.893
  112    HB3  LEU  15           HB1      LEU  15  11.553  -5.773  10.377
  113    HG   LEU  15           HG       LEU  15  13.743  -5.648  11.496
  114   HD11  LEU  15          HD11      LEU  15  12.119  -5.229  13.999
  115   HD12  LEU  15          HD12      LEU  15  13.203  -4.058  13.247
  116   HD13  LEU  15          HD13      LEU  15  13.853  -5.545  13.938
  117   HD21  LEU  15          HD21      LEU  15  12.567  -7.785  11.314
  118   HD22  LEU  15          HD22      LEU  15  11.784  -7.485  12.866
  119   HD23  LEU  15          HD23      LEU  15  13.533  -7.699  12.787
  120    H    LYS  16           HN       LYS  16  12.058  -4.171   8.531
  121    HA   LYS  16           HA       LYS  16  14.860  -3.913   8.304
  122    HB2  LYS  16           HB2      LYS  16  13.481  -5.071   6.600
  123    HB3  LYS  16           HB1      LYS  16  12.768  -3.530   6.137
  124    HG2  LYS  16           HG2      LYS  16  15.033  -2.748   5.492
  125    HG3  LYS  16           HG1      LYS  16  15.637  -4.371   5.821
  126    HD2  LYS  16           HD2      LYS  16  13.512  -3.647   3.802
  127    HD3  LYS  16           HD1      LYS  16  15.190  -4.049   3.437
  128    HE2  LYS  16           HE2      LYS  16  14.837  -6.284   4.411
  129    HE3  LYS  16           HE1      LYS  16  13.151  -5.870   4.712
  130    HZ1  LYS  16           HZ1      LYS  16  13.357  -7.135   2.699
  131    HZ2  LYS  16           HZ2      LYS  16  14.468  -6.035   2.064
  132    HZ3  LYS  16           HZ3      LYS  16  12.865  -5.565   2.319
  133    H    ASN  17           HN       ASN  17  12.224  -1.627   7.804
  134    HA   ASN  17           HA       ASN  17  13.726   0.542   6.832
  135    HB2  ASN  17           HB2      ASN  17  11.165   0.561   8.457
  136    HB3  ASN  17           HB1      ASN  17  11.845   1.975   7.668
  137   HD21  ASN  17          HD21      ASN  17  12.721   0.515   5.310
  138   HD22  ASN  17          HD22      ASN  17  11.299   0.141   4.408
  139    H    GLU  18           HN       GLU  18  12.943  -0.447  10.133
  140    HA   GLU  18           HA       GLU  18  14.183   1.765  11.399
  141    HB2  GLU  18           HB2      GLU  18  13.622  -1.008  12.455
  142    HB3  GLU  18           HB1      GLU  18  14.132   0.357  13.437
  143    HG2  GLU  18           HG2      GLU  18  12.082   1.555  12.768
  144    HG3  GLU  18           HG1      GLU  18  11.569   0.120  11.883
  145    H    ARG  19           HN       ARG  19  15.308  -1.514  10.652
  146    HA   ARG  19           HA       ARG  19  17.806  -1.450  11.871
  147    HB2  ARG  19           HB2      ARG  19  16.942  -2.836   9.328
  148    HB3  ARG  19           HB1      ARG  19  18.503  -3.089  10.082
  149    HG2  ARG  19           HG2      ARG  19  15.958  -3.531  11.599
  150    HG3  ARG  19           HG1      ARG  19  16.644  -4.777  10.557
  151    HD2  ARG  19           HD2      ARG  19  17.394  -5.170  12.799
  152    HD3  ARG  19           HD1      ARG  19  18.764  -4.608  11.847
  153    HE   ARG  19           HE       ARG  19  17.347  -2.572  13.354
  154   HH11  ARG  19          HH11      ARG  19  20.049  -4.820  13.279
  155   HH12  ARG  19          HH12      ARG  19  20.933  -3.995  14.510
  156   HH21  ARG  19          HH21      ARG  19  18.501  -1.487  14.994
  157   HH22  ARG  19          HH22      ARG  19  20.045  -2.099  15.503
  158    H    HIS  20           HN       HIS  20  17.076  -0.612   8.488
  159    HA   HIS  20           HA       HIS  20  19.711   0.243   7.900
  160    HB2  HIS  20           HB2      HIS  20  17.104   0.854   6.495
  161    HB3  HIS  20           HB1      HIS  20  18.674   1.371   5.898
  162    HD1  HIS  20           HD1      HIS  20  19.883  -0.247   4.420
  163    HD2  HIS  20           HD2      HIS  20  16.892  -2.082   6.651
  164    HE1  HIS  20           HE1      HIS  20  19.744  -2.595   3.556
  165    H    GLU  21           HN       GLU  21  16.885   1.963   9.077
  166    HA   GLU  21           HA       GLU  21  17.931   4.575   8.866
  167    HB2  GLU  21           HB2      GLU  21  15.550   4.164   9.329
  168    HB3  GLU  21           HB1      GLU  21  15.965   3.499  10.905
  169    HG2  GLU  21           HG2      GLU  21  16.860   5.682  11.565
  170    HG3  GLU  21           HG1      GLU  21  16.375   6.335   9.999
  171    H    GLU  22           HN       GLU  22  18.068   2.207  11.467
  172    HA   GLU  22           HA       GLU  22  19.515   3.823  13.270
  173    HB2  GLU  22           HB2      GLU  22  19.358   0.803  13.066
  174    HB3  GLU  22           HB1      GLU  22  20.169   1.655  14.372
  175    HG2  GLU  22           HG2      GLU  22  18.051   2.741  14.966
  176    HG3  GLU  22           HG1      GLU  22  17.237   1.842  13.692
  177    H    ALA  23           HN       ALA  23  20.646   1.310  10.987
  178    HA   ALA  23           HA       ALA  23  23.364   1.676  11.277
  179    HB1  ALA  23           HB1      ALA  23  22.412  -0.110   9.883
  180    HB2  ALA  23           HB2      ALA  23  23.620   0.816   9.000
  181    HB3  ALA  23           HB3      ALA  23  21.910   1.089   8.687
  182    H    GLU  24           HN       GLU  24  21.082   3.672   9.554
  183    HA   GLU  24           HA       GLU  24  22.938   5.306   8.158
  184    HB2  GLU  24           HB2      GLU  24  20.668   5.443   7.442
  185    HB3  GLU  24           HB1      GLU  24  20.076   5.809   9.050
  186    HG2  GLU  24           HG2      GLU  24  19.935   7.793   7.789
  187    HG3  GLU  24           HG1      GLU  24  21.287   7.997   8.895
  188    H    LEU  25           HN       LEU  25  21.178   5.954  11.182
  189    HA   LEU  25           HA       LEU  25  22.488   8.288  11.948
  190    HB2  LEU  25           HB2      LEU  25  21.549   6.126  13.831
  191    HB3  LEU  25           HB1      LEU  25  21.718   7.832  14.188
  192    HG   LEU  25           HG       LEU  25  19.712   6.670  12.254
  193   HD11  LEU  25          HD11      LEU  25  18.056   7.200  13.964
  194   HD12  LEU  25          HD12      LEU  25  19.346   7.690  15.062
  195   HD13  LEU  25          HD13      LEU  25  19.224   6.010  14.540
  196   HD21  LEU  25          HD21      LEU  25  18.711   8.903  12.348
  197   HD22  LEU  25          HD22      LEU  25  20.346   8.941  11.688
  198   HD23  LEU  25          HD23      LEU  25  20.052   9.458  13.350
  199    H    GLU  26           HN       GLU  26  23.255   5.004  12.570
  200    HA   GLU  26           HA       GLU  26  25.511   5.413  14.274
  201    HB2  GLU  26           HB2      GLU  26  24.266   3.277  14.171
  202    HB3  GLU  26           HB1      GLU  26  24.929   2.989  12.570
  203    HG2  GLU  26           HG2      GLU  26  27.195   2.997  13.546
  204    HG3  GLU  26           HG1      GLU  26  26.473   3.182  15.144
  205    H    ARG  27           HN       ARG  27  25.291   4.692  10.806
  206    HA   ARG  27           HA       ARG  27  28.136   4.752  10.456
  207    HB2  ARG  27           HB2      ARG  27  26.707   3.368   9.004
  208    HB3  ARG  27           HB1      ARG  27  25.976   4.823   8.341
  209    HG2  ARG  27           HG2      ARG  27  28.067   5.481   7.356
  210    HG3  ARG  27           HG1      ARG  27  28.892   4.121   8.122
  211    HD2  ARG  27           HD2      ARG  27  26.629   3.870   6.148
  212    HD3  ARG  27           HD1      ARG  27  28.336   3.727   5.736
  213    HE   ARG  27           HE       ARG  27  28.441   1.723   7.026
  214   HH11  ARG  27          HH11      ARG  27  25.170   2.965   6.663
  215   HH12  ARG  27          HH12      ARG  27  24.419   1.420   6.874
  216   HH21  ARG  27          HH21      ARG  27  27.437  -0.315   7.356
  217   HH22  ARG  27          HH22      ARG  27  25.714  -0.447   7.292
  218    H    LEU  28           HN       LEU  28  25.559   7.095  10.039
  219    HA   LEU  28           HA       LEU  28  27.105   8.990   8.597
  220    HB2  LEU  28           HB2      LEU  28  24.638   9.161   8.770
  221    HB3  LEU  28           HB1      LEU  28  24.795   9.540  10.478
  222    HG   LEU  28           HG       LEU  28  26.077  11.585   9.836
  223   HD11  LEU  28          HD11      LEU  28  26.837  10.899   7.641
  224   HD12  LEU  28          HD12      LEU  28  25.891  12.383   7.528
  225   HD13  LEU  28          HD13      LEU  28  25.173  10.842   7.061
  226   HD21  LEU  28          HD21      LEU  28  24.100  12.843   9.122
  227   HD22  LEU  28          HD22      LEU  28  23.730  11.708  10.418
  228   HD23  LEU  28          HD23      LEU  28  23.281  11.327   8.756
  229    H    LYS  29           HN       LYS  29  26.621   8.321  11.958
  230    HA   LYS  29           HA       LYS  29  28.050  10.478  13.054
  231    HB2  LYS  29           HB2      LYS  29  26.623   8.774  14.334
  232    HB3  LYS  29           HB1      LYS  29  28.014   7.698  14.255
  233    HG2  LYS  29           HG2      LYS  29  29.332   9.252  15.527
  234    HG3  LYS  29           HG1      LYS  29  28.020  10.432  15.496
  235    HD2  LYS  29           HD2      LYS  29  26.595   8.747  16.677
  236    HD3  LYS  29           HD1      LYS  29  28.039   7.752  16.868
  237    HE2  LYS  29           HE2      LYS  29  27.676   9.039  18.879
  238    HE3  LYS  29           HE1      LYS  29  29.126   9.620  18.062
  239    HZ1  LYS  29           HZ1      LYS  29  26.444  10.893  17.927
  240    HZ2  LYS  29           HZ2      LYS  29  27.836  11.460  17.159
  241    HZ3  LYS  29           HZ3      LYS  29  27.749  11.444  18.844
  242    H    SER  30           HN       SER  30  29.145   7.186  12.200
  243    HA   SER  30           HA       SER  30  31.869   7.562  12.709
  244    HB2  SER  30           HB2      SER  30  30.626   5.792  10.588
  245    HB3  SER  30           HB1      SER  30  32.209   5.586  11.338
  246    HG   SER  30           HG       SER  30  30.428   5.721  13.286
  247    H    GLU  31           HN       GLU  31  29.921   8.154   9.829
  248    HA   GLU  31           HA       GLU  31  31.870   8.729   7.940
  249    HB2  GLU  31           HB2      GLU  31  29.387   8.546   7.570
  250    HB3  GLU  31           HB1      GLU  31  29.224  10.145   8.280
  251    HG2  GLU  31           HG2      GLU  31  29.167  10.549   6.007
  252    HG3  GLU  31           HG1      GLU  31  30.837  10.908   6.444
  253    H    ARG  32           HN       ARG  32  30.002  11.088   9.796
  254    HA   ARG  32           HA       ARG  32  31.421  13.356   9.205
  255    HB2  ARG  32           HB2      ARG  32  29.869  12.638  11.667
  256    HB3  ARG  32           HB1      ARG  32  30.607  14.222  11.472
  257    HG2  ARG  32           HG2      ARG  32  28.557  12.982   9.644
  258    HG3  ARG  32           HG1      ARG  32  28.274  14.276  10.813
  259    HD2  ARG  32           HD2      ARG  32  29.937  15.659   9.595
  260    HD3  ARG  32           HD1      ARG  32  30.059  14.389   8.383
  261    HE   ARG  32           HE       ARG  32  27.395  14.991   8.527
  262   HH11  ARG  32          HH11      ARG  32  30.337  16.757   7.863
  263   HH12  ARG  32          HH12      ARG  32  29.581  17.913   6.826
  264   HH21  ARG  32          HH21      ARG  32  26.372  16.499   7.137
  265   HH22  ARG  32          HH22      ARG  32  27.305  17.757   6.401
  266    H    HIS  33           HN       HIS  33  32.391  10.909  11.476
  267    HA   HIS  33           HA       HIS  33  34.291  12.503  12.857
  268    HB2  HIS  33           HB2      HIS  33  34.086   9.510  12.512
  269    HB3  HIS  33           HB1      HIS  33  35.307  10.284  13.515
  270    HD1  HIS  33           HD1      HIS  33  33.114   8.332  14.630
  271    HD2  HIS  33           HD2      HIS  33  32.907  12.485  14.704
  272    HE1  HIS  33           HE1      HIS  33  31.531   8.891  16.492
  273    H    ASP  34           HN       ASP  34  34.587  10.304  10.090
  274    HA   ASP  34           HA       ASP  34  37.410  11.011   9.801
  275    HB2  ASP  34           HB2      ASP  34  36.688   8.647   9.482
  276    HB3  ASP  34           HB1      ASP  34  35.750   9.149   8.077
  277    H    HIS  35           HN       HIS  35  34.355  11.585   8.239
  278    HA   HIS  35           HA       HIS  35  35.126  12.628   5.770
  279    HB2  HIS  35           HB2      HIS  35  32.786  12.156   6.244
  280    HB3  HIS  35           HB1      HIS  35  32.750  13.386   7.501
  281    HD2  HIS  35           HD2      HIS  35  33.074  13.285   3.566
  282    HE1  HIS  35           HE1      HIS  35  31.358  16.971   4.767
  283    HE2  HIS  35           HE2      HIS  35  32.202  15.612   2.837
  284    H    ASP  36           HN       ASP  36  35.357  14.073   8.893
  285    HA   ASP  36           HA       ASP  36  35.485  16.797   8.161
  286    HB2  ASP  36           HB2      ASP  36  35.253  16.037  10.521
  287    HB3  ASP  36           HB1      ASP  36  36.919  15.462  10.479
  288    H    LYS  37           HN       LYS  37  37.771  14.231   7.879
  289    HA   LYS  37           HA       LYS  37  39.878  16.119   7.080
  290    HB2  LYS  37           HB2      LYS  37  40.137  13.221   7.913
  291    HB3  LYS  37           HB1      LYS  37  41.464  14.289   7.486
  292    HG2  LYS  37           HG2      LYS  37  39.625  14.640   9.849
  293    HG3  LYS  37           HG1      LYS  37  41.262  13.986   9.902
  294    HD2  LYS  37           HD2      LYS  37  42.108  16.133   9.010
  295    HD3  LYS  37           HD1      LYS  37  40.464  16.773   9.063
  296    HE2  LYS  37           HE2      LYS  37  42.053  15.784  11.431
  297    HE3  LYS  37           HE1      LYS  37  41.772  17.472  11.016
  298    HZ1  LYS  37           HZ1      LYS  37  39.374  17.073  11.302
  299    HZ2  LYS  37           HZ2      LYS  37  40.250  16.774  12.721
  300    HZ3  LYS  37           HZ3      LYS  37  39.705  15.484  11.785
  301    H    LYS  38           HN       LYS  38  38.114  13.205   6.242
  302    HA   LYS  38           HA       LYS  38  39.282  13.277   3.573
  303    HB2  LYS  38           HB2      LYS  38  39.307  11.087   4.660
  304    HB3  LYS  38           HB1      LYS  38  37.565  11.152   4.886
  305    HG2  LYS  38           HG2      LYS  38  38.225   9.705   3.021
  306    HG3  LYS  38           HG1      LYS  38  37.216  11.055   2.498
  307    HD2  LYS  38           HD2      LYS  38  39.235  12.265   1.790
  308    HD3  LYS  38           HD1      LYS  38  40.222  10.887   2.280
  309    HE2  LYS  38           HE2      LYS  38  39.120   9.485   0.642
  310    HE3  LYS  38           HE1      LYS  38  38.043  10.810   0.199
  311    HZ1  LYS  38           HZ1      LYS  38  40.988  10.795  -0.136
  312    HZ2  LYS  38           HZ2      LYS  38  39.954  12.061  -0.562
  313    HZ3  LYS  38           HZ3      LYS  38  39.852  10.582  -1.369
  314    H    GLU  39           HN       GLU  39  38.241  14.996   2.730
  315    HA   GLU  39           HA       GLU  39  35.528  15.544   2.732
  316    HB2  GLU  39           HB2      GLU  39  35.851  16.841   0.710
  317    HB3  GLU  39           HB1      GLU  39  37.227  17.080   1.772
  318    HG2  GLU  39           HG2      GLU  39  38.600  15.665   0.417
  319    HG3  GLU  39           HG1      GLU  39  37.214  15.165  -0.548
  320    H    ALA  40           HN       ALA  40  33.800  14.761   1.759
  321    HA   ALA  40           HA       ALA  40  33.782  13.154  -0.557
  322    HB1  ALA  40           HB1      ALA  40  33.112  11.017   0.453
  323    HB2  ALA  40           HB2      ALA  40  33.353  11.692   2.063
  324    HB3  ALA  40           HB3      ALA  40  34.730  11.477   0.982
  325    H    GLU  41           HN       GLU  41  31.406  11.677   0.079
  326    HA   GLU  41           HA       GLU  41  29.600  13.928   0.515
  327    HB2  GLU  41           HB2      GLU  41  27.955  12.423  -0.813
  328    HB3  GLU  41           HB1      GLU  41  29.192  13.321  -1.672
  329    HG2  GLU  41           HG2      GLU  41  30.568  11.303  -1.802
  330    HG3  GLU  41           HG1      GLU  41  29.325  10.392  -0.956
  331    H    ARG  42           HN       ARG  42  28.810  10.453   0.525
  332    HA   ARG  42           HA       ARG  42  28.591  10.153   3.248
  333    HB2  ARG  42           HB2      ARG  42  26.741  11.701   3.150
  334    HB3  ARG  42           HB1      ARG  42  26.077  10.904   1.739
  335    HG2  ARG  42           HG2      ARG  42  25.465   8.980   3.066
  336    HG3  ARG  42           HG1      ARG  42  26.235   9.688   4.491
  337    HD2  ARG  42           HD2      ARG  42  24.605  11.299   4.739
  338    HD3  ARG  42           HD1      ARG  42  24.143  11.245   3.043
  339    HE   ARG  42           HE       ARG  42  23.427   9.157   5.020
  340   HH11  ARG  42          HH11      ARG  42  22.669  11.138   2.212
  341   HH12  ARG  42          HH12      ARG  42  21.097  10.461   1.999
  342   HH21  ARG  42          HH21      ARG  42  21.358   8.224   4.706
  343   HH22  ARG  42          HH22      ARG  42  20.343   8.809   3.421
  344    H    LYS  43           HN       LYS  43  28.906   8.152   3.359
  345    HA   LYS  43           HA       LYS  43  28.402   6.308   1.183
  346    HB2  LYS  43           HB2      LYS  43  29.505   5.735   3.934
  347    HB3  LYS  43           HB1      LYS  43  29.611   4.694   2.521
  348    HG2  LYS  43           HG2      LYS  43  31.054   6.264   1.410
  349    HG3  LYS  43           HG1      LYS  43  30.859   7.424   2.725
  350    HD2  LYS  43           HD2      LYS  43  31.900   5.794   4.265
  351    HD3  LYS  43           HD1      LYS  43  32.167   4.711   2.898
  352    HE2  LYS  43           HE2      LYS  43  33.310   7.477   3.262
  353    HE3  LYS  43           HE1      LYS  43  34.190   5.952   3.368
  354    HZ1  LYS  43           HZ1      LYS  43  34.564   6.953   1.239
  355    HZ2  LYS  43           HZ2      LYS  43  32.906   7.097   0.956
  356    HZ3  LYS  43           HZ3      LYS  43  33.619   5.563   1.019
  357    H    ALA  44           HN       ALA  44  26.917   7.242   4.102
  358    HA   ALA  44           HA       ALA  44  25.515   4.919   4.796
  359    HB1  ALA  44           HB1      ALA  44  23.983   6.358   6.034
  360    HB2  ALA  44           HB2      ALA  44  24.621   7.776   5.209
  361    HB3  ALA  44           HB3      ALA  44  25.653   6.843   6.299
  362    H    LEU  45           HN       LEU  45  24.645   7.496   2.490
  363    HA   LEU  45           HA       LEU  45  22.093   6.759   1.822
  364    HB2  LEU  45           HB2      LEU  45  23.142   8.800   1.042
  365    HB3  LEU  45           HB1      LEU  45  24.280   7.885   0.074
  366    HG   LEU  45           HG       LEU  45  22.414   7.114  -1.354
  367   HD11  LEU  45          HD11      LEU  45  20.234   8.207  -1.170
  368   HD12  LEU  45          HD12      LEU  45  20.766   9.006   0.308
  369   HD13  LEU  45          HD13      LEU  45  20.606   7.250   0.264
  370   HD21  LEU  45          HD21      LEU  45  22.621  10.106  -1.054
  371   HD22  LEU  45          HD22      LEU  45  22.042   9.247  -2.480
  372   HD23  LEU  45          HD23      LEU  45  23.722   9.080  -1.970
  373    H    GLU  46           HN       GLU  46  24.844   4.843   1.366
  374    HA   GLU  46           HA       GLU  46  23.819   3.571  -1.061
  375    HB2  GLU  46           HB2      GLU  46  26.268   3.990  -0.923
  376    HB3  GLU  46           HB1      GLU  46  26.347   2.945   0.490
  377    HG2  GLU  46           HG2      GLU  46  25.449   1.100  -0.936
  378    HG3  GLU  46           HG1      GLU  46  25.645   2.168  -2.323
  379    H    ASP  47           HN       ASP  47  24.105   3.187   2.339
  380    HA   ASP  47           HA       ASP  47  23.316   0.368   2.235
  381    HB2  ASP  47           HB2      ASP  47  25.191   0.956   3.716
  382    HB3  ASP  47           HB1      ASP  47  24.135   2.037   4.620
  383    H    LYS  48           HN       LYS  48  21.996   3.482   2.797
  384    HA   LYS  48           HA       LYS  48  19.705   2.439   4.284
  385    HB2  LYS  48           HB2      LYS  48  20.754   4.605   4.984
  386    HB3  LYS  48           HB1      LYS  48  20.309   5.296   3.430
  387    HG2  LYS  48           HG2      LYS  48  17.933   4.930   3.982
  388    HG3  LYS  48           HG1      LYS  48  18.418   4.318   5.564
  389    HD2  LYS  48           HD2      LYS  48  19.390   6.456   6.135
  390    HD3  LYS  48           HD1      LYS  48  19.068   7.070   4.514
  391    HE2  LYS  48           HE2      LYS  48  16.925   6.133   6.411
  392    HE3  LYS  48           HE1      LYS  48  17.441   7.813   6.267
  393    HZ1  LYS  48           HZ1      LYS  48  16.757   7.822   3.976
  394    HZ2  LYS  48           HZ2      LYS  48  15.462   7.305   4.932
  395    HZ3  LYS  48           HZ3      LYS  48  16.348   6.184   4.038
  396    H    LEU  49           HN       LEU  49  20.474   2.106   1.294
  397    HA   LEU  49           HA       LEU  49  17.792   2.256   0.311
  398    HB2  LEU  49           HB2      LEU  49  18.695   4.527  -0.114
  399    HB3  LEU  49           HB1      LEU  49  19.995   3.815  -1.042
  400    HG   LEU  49           HG       LEU  49  18.264   2.910  -2.612
  401   HD11  LEU  49          HD11      LEU  49  16.048   3.952  -2.568
  402   HD12  LEU  49          HD12      LEU  49  16.452   4.735  -1.041
  403   HD13  LEU  49          HD13      LEU  49  16.343   2.977  -1.129
  404   HD21  LEU  49          HD21      LEU  49  18.395   5.895  -2.249
  405   HD22  LEU  49          HD22      LEU  49  17.923   5.057  -3.731
  406   HD23  LEU  49          HD23      LEU  49  19.567   4.897  -3.107
  407    H    ALA  50           HN       ALA  50  20.945   2.261  -1.265
  408    HA   ALA  50           HA       ALA  50  22.256   0.614  -2.177
  409    HB1  ALA  50           HB1      ALA  50  20.190  -1.358  -1.181
  410    HB2  ALA  50           HB2      ALA  50  21.653  -0.882  -0.320
  411    HB3  ALA  50           HB3      ALA  50  21.775  -1.759  -1.844
  412    H    ASP  51           HN       ASP  51  20.373   2.110  -3.495
  413    HA   ASP  51           HA       ASP  51  19.550   0.287  -5.657
  414    HB2  ASP  51           HB2      ASP  51  18.174   2.744  -4.609
  415    HB3  ASP  51           HB1      ASP  51  17.902   2.199  -6.259
  416    H    TYR  52           HN       TYR  52  21.562   2.837  -4.768
  417    HA   TYR  52           HA       TYR  52  23.036   4.114  -5.825
  418    HB2  TYR  52           HB2      TYR  52  22.697   1.953  -7.885
  419    HB3  TYR  52           HB1      TYR  52  23.819   3.290  -8.123
  420    HD1  TYR  52           HD1      TYR  52  23.052   0.366  -6.002
  421    HD2  TYR  52           HD2      TYR  52  25.887   3.391  -6.944
  422    HE1  TYR  52           HE1      TYR  52  24.739  -0.803  -4.654
  423    HE2  TYR  52           HE2      TYR  52  27.582   2.227  -5.601
  424    HH   TYR  52           HH       TYR  52  27.642   0.647  -3.704
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   7.961 -19.444  -3.417
    2    H2   GLY   1           HT2      GLY   1   6.465 -18.837  -2.922
    3    H3   GLY   1           HT3      GLY   1   7.401 -19.758  -1.856
    4    HA2  GLY   1           HA1      GLY   1   9.102 -18.054  -1.824
    5    HA3  GLY   1           HA2      GLY   1   8.130 -17.098  -2.934
    6    H    SER   2           HN       SER   2   5.977 -16.445  -2.174
    7    HA   SER   2           HA       SER   2   6.141 -15.515   0.542
    8    HB2  SER   2           HB2      SER   2   3.946 -15.148  -1.508
    9    HB3  SER   2           HB1      SER   2   4.140 -14.236  -0.010
   10    HG   SER   2           HG       SER   2   6.428 -14.047  -1.248
   11    H    VAL   3           HN       VAL   3   4.824 -16.108   2.241
   12    HA   VAL   3           HA       VAL   3   2.832 -18.197   1.811
   13    HB   VAL   3           HB       VAL   3   5.004 -19.332   2.368
   14   HG11  VAL   3          HG11      VAL   3   5.973 -17.642   3.811
   15   HG12  VAL   3          HG12      VAL   3   5.878 -19.192   4.648
   16   HG13  VAL   3          HG13      VAL   3   4.712 -17.921   5.013
   17   HG21  VAL   3          HG21      VAL   3   4.088 -20.793   4.117
   18   HG22  VAL   3          HG22      VAL   3   2.894 -20.426   2.872
   19   HG23  VAL   3          HG23      VAL   3   2.821 -19.608   4.432
   20    H    GLU   4           HN       GLU   4   3.984 -15.474   3.306
   21    HA   GLU   4           HA       GLU   4   2.010 -15.536   5.479
   22    HB2  GLU   4           HB2      GLU   4   4.261 -13.570   4.989
   23    HB3  GLU   4           HB1      GLU   4   3.160 -13.558   6.363
   24    HG2  GLU   4           HG2      GLU   4   3.979 -15.749   7.044
   25    HG3  GLU   4           HG1      GLU   4   5.079 -15.766   5.668
   26    H    LYS   5           HN       LYS   5   3.075 -13.317   2.917
   27    HA   LYS   5           HA       LYS   5   1.852 -12.098   1.455
   28    HB2  LYS   5           HB2      LYS   5   0.486 -14.142   1.206
   29    HB3  LYS   5           HB1      LYS   5  -0.536 -13.606   2.529
   30    HG2  LYS   5           HG2      LYS   5  -1.210 -11.662   1.234
   31    HG3  LYS   5           HG1      LYS   5  -0.159 -12.175  -0.088
   32    HD2  LYS   5           HD2      LYS   5  -1.456 -14.271  -0.252
   33    HD3  LYS   5           HD1      LYS   5  -2.540 -13.666   1.001
   34    HE2  LYS   5           HE2      LYS   5  -3.405 -13.336  -1.294
   35    HE3  LYS   5           HE1      LYS   5  -3.218 -11.835  -0.391
   36    HZ1  LYS   5           HZ1      LYS   5  -1.232 -12.872  -2.341
   37    HZ2  LYS   5           HZ2      LYS   5  -1.195 -11.374  -1.561
   38    HZ3  LYS   5           HZ3      LYS   5  -2.399 -11.703  -2.696
   39    H    LEU   6           HN       LEU   6   2.618 -10.580   3.399
   40    HA   LEU   6           HA       LEU   6   2.187  -8.504   4.162
   41    HB2  LEU   6           HB2      LEU   6  -0.736  -9.040   3.657
   42    HB3  LEU   6           HB1      LEU   6  -0.056  -7.503   4.148
   43    HG   LEU   6           HG       LEU   6   0.416  -8.920   1.523
   44   HD11  LEU   6          HD11      LEU   6  -1.013  -6.351   2.179
   45   HD12  LEU   6          HD12      LEU   6  -1.767  -7.869   1.694
   46   HD13  LEU   6          HD13      LEU   6  -0.735  -6.998   0.562
   47   HD21  LEU   6          HD21      LEU   6   1.542  -6.315   2.543
   48   HD22  LEU   6          HD22      LEU   6   1.683  -6.909   0.890
   49   HD23  LEU   6          HD23      LEU   6   2.450  -7.791   2.212
   50    H    THR   7           HN       THR   7   0.952 -11.358   5.590
   51    HA   THR   7           HA       THR   7   0.263  -9.914   7.922
   52    HB   THR   7           HB       THR   7  -1.270 -11.751   7.269
   53    HG1  THR   7           HG1      THR   7  -0.006 -12.533   9.680
   54   HG21  THR   7          HG21      THR   7   1.051 -13.582   7.886
   55   HG22  THR   7          HG22      THR   7   0.296 -13.347   6.309
   56   HG23  THR   7          HG23      THR   7  -0.613 -14.101   7.619
   57    H    ALA   8           HN       ALA   8   2.067  -9.386   8.982
   58    HA   ALA   8           HA       ALA   8   3.872  -9.580  10.371
   59    HB1  ALA   8           HB1      ALA   8   3.586 -12.011  10.672
   60    HB2  ALA   8           HB2      ALA   8   5.285 -11.571  10.495
   61    HB3  ALA   8           HB3      ALA   8   4.415 -12.292   9.141
   62    H    ASP   9           HN       ASP   9   3.830 -10.220   7.017
   63    HA   ASP   9           HA       ASP   9   6.492  -9.540   6.300
   64    HB2  ASP   9           HB2      ASP   9   3.879  -9.262   4.806
   65    HB3  ASP   9           HB1      ASP   9   5.372  -8.628   4.144
   66    H    ALA  10           HN       ALA  10   3.614  -7.702   6.877
   67    HA   ALA  10           HA       ALA  10   4.549  -5.141   6.210
   68    HB1  ALA  10           HB1      ALA  10   2.449  -5.826   8.279
   69    HB2  ALA  10           HB2      ALA  10   2.161  -5.607   6.550
   70    HB3  ALA  10           HB3      ALA  10   2.704  -4.252   7.533
   71    H    GLU  11           HN       GLU  11   4.946  -7.029   9.108
   72    HA   GLU  11           HA       GLU  11   5.992  -4.804  10.622
   73    HB2  GLU  11           HB2      GLU  11   6.017  -7.767  11.241
   74    HB3  GLU  11           HB1      GLU  11   6.517  -6.493  12.340
   75    HG2  GLU  11           HG2      GLU  11   4.204  -5.565  12.196
   76    HG3  GLU  11           HG1      GLU  11   3.748  -7.006  11.289
   77    H    LEU  12           HN       LEU  12   7.111  -7.246   8.525
   78    HA   LEU  12           HA       LEU  12   9.882  -7.150   9.227
   79    HB2  LEU  12           HB2      LEU  12   8.790  -7.851   6.496
   80    HB3  LEU  12           HB1      LEU  12  10.309  -8.359   7.198
   81    HG   LEU  12           HG       LEU  12   7.545  -9.369   7.838
   82   HD11  LEU  12          HD11      LEU  12   8.492 -11.512   7.262
   83   HD12  LEU  12          HD12      LEU  12  10.025 -10.730   6.866
   84   HD13  LEU  12          HD13      LEU  12   8.572 -10.359   5.933
   85   HD21  LEU  12          HD21      LEU  12  10.083  -9.909   9.364
   86   HD22  LEU  12          HD22      LEU  12   8.546 -10.764   9.556
   87   HD23  LEU  12          HD23      LEU  12   8.651  -9.049   9.945
   88    H    GLN  13           HN       GLN  13   7.825  -5.639   6.818
   89    HA   GLN  13           HA       GLN  13   9.750  -3.990   5.578
   90    HB2  GLN  13           HB2      GLN  13   6.765  -3.582   5.917
   91    HB3  GLN  13           HB1      GLN  13   7.787  -2.666   4.823
   92    HG2  GLN  13           HG2      GLN  13   8.188  -4.544   3.458
   93    HG3  GLN  13           HG1      GLN  13   7.527  -5.650   4.660
   94   HE21  GLN  13          HE21      GLN  13   6.761  -3.228   2.279
   95   HE22  GLN  13          HE22      GLN  13   5.092  -3.645   2.108
   96    H    ARG  14           HN       ARG  14   8.039  -3.777   8.533
   97    HA   ARG  14           HA       ARG  14   8.471  -0.948   8.952
   98    HB2  ARG  14           HB2      ARG  14   6.505  -2.082   9.947
   99    HB3  ARG  14           HB1      ARG  14   7.559  -3.075  10.931
  100    HG2  ARG  14           HG2      ARG  14   6.693  -1.366  12.310
  101    HG3  ARG  14           HG1      ARG  14   8.384  -0.972  12.009
  102    HD2  ARG  14           HD2      ARG  14   6.257   0.169  10.246
  103    HD3  ARG  14           HD1      ARG  14   6.533   0.871  11.837
  104    HE   ARG  14           HE       ARG  14   8.994   0.922  10.903
  105   HH11  ARG  14          HH11      ARG  14   6.042   1.654   9.157
  106   HH12  ARG  14          HH12      ARG  14   6.762   2.896   8.200
  107   HH21  ARG  14          HH21      ARG  14   9.950   2.592   9.661
  108   HH22  ARG  14          HH22      ARG  14   8.993   3.428   8.475
  109    H    LEU  15           HN       LEU  15   9.723  -3.956  10.397
  110    HA   LEU  15           HA       LEU  15  11.673  -2.732  12.009
  111    HB2  LEU  15           HB2      LEU  15  10.892  -5.019  12.369
  112    HB3  LEU  15           HB1      LEU  15  11.595  -5.517  10.845
  113    HG   LEU  15           HG       LEU  15  13.846  -5.007  11.745
  114   HD11  LEU  15          HD11      LEU  15  14.110  -4.665  14.154
  115   HD12  LEU  15          HD12      LEU  15  12.359  -4.536  14.323
  116   HD13  LEU  15          HD13      LEU  15  13.248  -3.332  13.389
  117   HD21  LEU  15          HD21      LEU  15  12.979  -7.276  11.830
  118   HD22  LEU  15          HD22      LEU  15  12.198  -6.936  13.375
  119   HD23  LEU  15          HD23      LEU  15  13.958  -6.934  13.258
  120    H    LYS  16           HN       LYS  16  11.805  -4.068   8.747
  121    HA   LYS  16           HA       LYS  16  14.532  -3.881   8.257
  122    HB2  LYS  16           HB2      LYS  16  13.032  -4.992   6.685
  123    HB3  LYS  16           HB1      LYS  16  12.244  -3.465   6.312
  124    HG2  LYS  16           HG2      LYS  16  14.271  -2.644   5.282
  125    HG3  LYS  16           HG1      LYS  16  15.118  -4.130   5.719
  126    HD2  LYS  16           HD2      LYS  16  13.597  -5.426   4.327
  127    HD3  LYS  16           HD1      LYS  16  12.694  -3.965   3.928
  128    HE2  LYS  16           HE2      LYS  16  15.590  -4.483   3.260
  129    HE3  LYS  16           HE1      LYS  16  14.237  -4.611   2.137
  130    HZ1  LYS  16           HZ1      LYS  16  13.795  -2.246   2.492
  131    HZ2  LYS  16           HZ2      LYS  16  15.351  -2.498   1.890
  132    HZ3  LYS  16           HZ3      LYS  16  15.128  -2.143   3.521
  133    H    ASN  17           HN       ASN  17  12.044  -1.405   7.883
  134    HA   ASN  17           HA       ASN  17  13.774   0.561   6.796
  135    HB2  ASN  17           HB2      ASN  17  11.324   0.783   6.603
  136    HB3  ASN  17           HB1      ASN  17  11.201   0.991   8.351
  137   HD21  ASN  17          HD21      ASN  17  11.893   2.922   9.293
  138   HD22  ASN  17          HD22      ASN  17  12.229   4.334   8.342
  139    H    GLU  18           HN       GLU  18  12.614  -0.002  10.097
  140    HA   GLU  18           HA       GLU  18  13.909   2.169  11.304
  141    HB2  GLU  18           HB2      GLU  18  13.321  -0.485  12.617
  142    HB3  GLU  18           HB1      GLU  18  13.496   1.073  13.404
  143    HG2  GLU  18           HG2      GLU  18  11.259   0.139  11.640
  144    HG3  GLU  18           HG1      GLU  18  11.192   0.568  13.347
  145    H    ARG  19           HN       ARG  19  14.930  -1.156  10.817
  146    HA   ARG  19           HA       ARG  19  17.404  -0.918  12.202
  147    HB2  ARG  19           HB2      ARG  19  16.300  -3.100  11.730
  148    HB3  ARG  19           HB1      ARG  19  16.664  -2.888  10.022
  149    HG2  ARG  19           HG2      ARG  19  19.045  -2.929  10.528
  150    HG3  ARG  19           HG1      ARG  19  18.675  -3.140  12.241
  151    HD2  ARG  19           HD2      ARG  19  17.419  -5.205  11.636
  152    HD3  ARG  19           HD1      ARG  19  18.016  -5.019   9.987
  153    HE   ARG  19           HE       ARG  19  20.271  -4.977  11.473
  154   HH11  ARG  19          HH11      ARG  19  17.557  -7.186  11.233
  155   HH12  ARG  19          HH12      ARG  19  18.469  -8.574  11.710
  156   HH21  ARG  19          HH21      ARG  19  21.497  -6.825  12.104
  157   HH22  ARG  19          HH22      ARG  19  20.720  -8.367  12.214
  158    H    HIS  20           HN       HIS  20  16.457  -0.562   8.839
  159    HA   HIS  20           HA       HIS  20  19.069  -0.284   7.798
  160    HB2  HIS  20           HB2      HIS  20  17.129  -0.751   6.330
  161    HB3  HIS  20           HB1      HIS  20  16.506   0.867   6.650
  162    HD1  HIS  20           HD1      HIS  20  17.269   2.668   5.105
  163    HD2  HIS  20           HD2      HIS  20  19.672  -0.717   4.884
  164    HE1  HIS  20           HE1      HIS  20  18.889   3.121   3.250
  165    H    GLU  21           HN       GLU  21  16.694   2.184   8.886
  166    HA   GLU  21           HA       GLU  21  18.418   4.350   8.208
  167    HB2  GLU  21           HB2      GLU  21  16.014   4.255  10.052
  168    HB3  GLU  21           HB1      GLU  21  16.870   5.721   9.615
  169    HG2  GLU  21           HG2      GLU  21  16.335   5.119   7.196
  170    HG3  GLU  21           HG1      GLU  21  15.202   3.947   7.868
  171    H    GLU  22           HN       GLU  22  18.201   2.203  10.859
  172    HA   GLU  22           HA       GLU  22  19.413   3.917  12.801
  173    HB2  GLU  22           HB2      GLU  22  18.034   1.967  13.468
  174    HB3  GLU  22           HB1      GLU  22  19.258   0.891  12.804
  175    HG2  GLU  22           HG2      GLU  22  20.846   1.578  14.446
  176    HG3  GLU  22           HG1      GLU  22  19.766   2.845  15.027
  177    H    ALA  23           HN       ALA  23  20.647   1.376  10.591
  178    HA   ALA  23           HA       ALA  23  23.317   1.621  11.528
  179    HB1  ALA  23           HB1      ALA  23  22.495  -0.432  10.422
  180    HB2  ALA  23           HB2      ALA  23  23.913   0.235   9.622
  181    HB3  ALA  23           HB3      ALA  23  22.320   0.467   8.910
  182    H    GLU  24           HN       GLU  24  21.368   3.255   9.158
  183    HA   GLU  24           HA       GLU  24  23.495   4.460   7.693
  184    HB2  GLU  24           HB2      GLU  24  20.641   5.413   8.070
  185    HB3  GLU  24           HB1      GLU  24  21.777   6.057   6.898
  186    HG2  GLU  24           HG2      GLU  24  20.656   3.266   6.952
  187    HG3  GLU  24           HG1      GLU  24  20.218   4.555   5.834
  188    H    LEU  25           HN       LEU  25  21.740   5.220  10.620
  189    HA   LEU  25           HA       LEU  25  22.735   7.867  10.908
  190    HB2  LEU  25           HB2      LEU  25  20.674   7.030  12.002
  191    HB3  LEU  25           HB1      LEU  25  21.654   5.976  12.998
  192    HG   LEU  25           HG       LEU  25  22.740   7.975  13.987
  193   HD11  LEU  25          HD11      LEU  25  21.696  10.166  13.649
  194   HD12  LEU  25          HD12      LEU  25  20.670   9.475  12.392
  195   HD13  LEU  25          HD13      LEU  25  22.419   9.541  12.168
  196   HD21  LEU  25          HD21      LEU  25  20.869   6.898  15.109
  197   HD22  LEU  25          HD22      LEU  25  19.734   7.890  14.193
  198   HD23  LEU  25          HD23      LEU  25  20.826   8.644  15.355
  199    H    GLU  26           HN       GLU  26  23.553   4.736  12.328
  200    HA   GLU  26           HA       GLU  26  25.689   5.429  13.932
  201    HB2  GLU  26           HB2      GLU  26  24.806   3.137  13.789
  202    HB3  GLU  26           HB1      GLU  26  25.517   2.966  12.188
  203    HG2  GLU  26           HG2      GLU  26  27.747   3.476  13.311
  204    HG3  GLU  26           HG1      GLU  26  26.908   3.188  14.832
  205    H    ARG  27           HN       ARG  27  25.733   4.782  10.463
  206    HA   ARG  27           HA       ARG  27  28.518   5.084  10.084
  207    HB2  ARG  27           HB2      ARG  27  26.964   4.092   8.387
  208    HB3  ARG  27           HB1      ARG  27  26.356   5.711   8.058
  209    HG2  ARG  27           HG2      ARG  27  28.695   6.357   7.435
  210    HG3  ARG  27           HG1      ARG  27  29.125   4.650   7.560
  211    HD2  ARG  27           HD2      ARG  27  27.135   5.912   5.687
  212    HD3  ARG  27           HD1      ARG  27  28.655   5.129   5.266
  213    HE   ARG  27           HE       ARG  27  27.656   3.021   6.004
  214   HH11  ARG  27          HH11      ARG  27  25.491   5.694   5.274
  215   HH12  ARG  27          HH12      ARG  27  24.124   4.669   4.976
  216   HH21  ARG  27          HH21      ARG  27  25.826   1.676   5.630
  217   HH22  ARG  27          HH22      ARG  27  24.306   2.404   5.215
  218    H    LEU  28           HN       LEU  28  25.912   7.414  10.329
  219    HA   LEU  28           HA       LEU  28  27.483   9.590   9.252
  220    HB2  LEU  28           HB2      LEU  28  25.014   9.523   8.960
  221    HB3  LEU  28           HB1      LEU  28  24.815   9.640  10.699
  222    HG   LEU  28           HG       LEU  28  25.860  11.879  10.642
  223   HD11  LEU  28          HD11      LEU  28  25.796  11.488   7.657
  224   HD12  LEU  28          HD12      LEU  28  27.236  11.635   8.664
  225   HD13  LEU  28          HD13      LEU  28  26.141  13.006   8.484
  226   HD21  LEU  28          HD21      LEU  28  23.434  11.639  10.565
  227   HD22  LEU  28          HD22      LEU  28  23.492  11.531   8.806
  228   HD23  LEU  28          HD23      LEU  28  23.962  13.026   9.613
  229    H    LYS  29           HN       LYS  29  26.854   8.102  12.270
  230    HA   LYS  29           HA       LYS  29  27.773  10.296  13.912
  231    HB2  LYS  29           HB2      LYS  29  27.371   7.359  14.582
  232    HB3  LYS  29           HB1      LYS  29  27.759   8.616  15.743
  233    HG2  LYS  29           HG2      LYS  29  25.650   9.648  15.495
  234    HG3  LYS  29           HG1      LYS  29  25.283   8.714  14.043
  235    HD2  LYS  29           HD2      LYS  29  24.043   7.824  15.937
  236    HD3  LYS  29           HD1      LYS  29  25.245   6.653  15.403
  237    HE2  LYS  29           HE2      LYS  29  25.398   6.630  17.738
  238    HE3  LYS  29           HE1      LYS  29  26.751   7.632  17.223
  239    HZ1  LYS  29           HZ1      LYS  29  25.710   8.726  19.023
  240    HZ2  LYS  29           HZ2      LYS  29  24.171   8.516  18.368
  241    HZ3  LYS  29           HZ3      LYS  29  25.242   9.597  17.642
  242    H    SER  30           HN       SER  30  29.088   7.549  12.270
  243    HA   SER  30           HA       SER  30  31.620   7.575  13.626
  244    HB2  SER  30           HB2      SER  30  30.744   5.468  12.692
  245    HB3  SER  30           HB1      SER  30  30.763   6.165  11.070
  246    HG   SER  30           HG       SER  30  32.659   5.252  11.055
  247    H    GLU  31           HN       GLU  31  30.521   8.402  10.324
  248    HA   GLU  31           HA       GLU  31  32.973   9.450   9.442
  249    HB2  GLU  31           HB2      GLU  31  30.172  10.131   8.528
  250    HB3  GLU  31           HB1      GLU  31  31.648  10.526   7.656
  251    HG2  GLU  31           HG2      GLU  31  32.142   8.148   7.408
  252    HG3  GLU  31           HG1      GLU  31  30.669   7.750   8.289
  253    H    ARG  32           HN       ARG  32  30.533  10.766  11.475
  254    HA   ARG  32           HA       ARG  32  31.121  13.516  11.142
  255    HB2  ARG  32           HB2      ARG  32  29.040  12.658  12.176
  256    HB3  ARG  32           HB1      ARG  32  29.978  12.083  13.544
  257    HG2  ARG  32           HG2      ARG  32  30.662  14.430  13.989
  258    HG3  ARG  32           HG1      ARG  32  29.564  14.942  12.704
  259    HD2  ARG  32           HD2      ARG  32  28.452  15.169  14.824
  260    HD3  ARG  32           HD1      ARG  32  27.707  13.851  13.920
  261    HE   ARG  32           HE       ARG  32  29.770  13.241  15.917
  262   HH11  ARG  32          HH11      ARG  32  26.438  13.017  14.862
  263   HH12  ARG  32          HH12      ARG  32  25.979  11.900  16.109
  264   HH21  ARG  32          HH21      ARG  32  29.190  11.778  17.542
  265   HH22  ARG  32          HH22      ARG  32  27.563  11.188  17.649
  266    H    HIS  33           HN       HIS  33  32.527  10.915  12.998
  267    HA   HIS  33           HA       HIS  33  34.061  12.679  14.695
  268    HB2  HIS  33           HB2      HIS  33  33.236  10.436  15.469
  269    HB3  HIS  33           HB1      HIS  33  34.367   9.688  14.349
  270    HD1  HIS  33           HD1      HIS  33  36.613   9.167  15.295
  271    HD2  HIS  33           HD2      HIS  33  34.657  12.131  17.457
  272    HE1  HIS  33           HE1      HIS  33  38.104   9.671  17.249
  273    H    ASP  34           HN       ASP  34  34.408  11.188  11.633
  274    HA   ASP  34           HA       ASP  34  37.241  11.127  11.570
  275    HB2  ASP  34           HB2      ASP  34  35.190  10.971   9.368
  276    HB3  ASP  34           HB1      ASP  34  36.905  11.108   9.005
  277    H    HIS  35           HN       HIS  35  35.137  13.697  11.582
  278    HA   HIS  35           HA       HIS  35  36.481  15.572   9.971
  279    HB2  HIS  35           HB2      HIS  35  35.317  17.299  11.153
  280    HB3  HIS  35           HB1      HIS  35  34.215  15.936  11.112
  281    HD2  HIS  35           HD2      HIS  35  34.483  18.457  13.491
  282    HE1  HIS  35           HE1      HIS  35  35.051  15.096  16.007
  283    HE2  HIS  35           HE2      HIS  35  34.563  17.557  15.910
  284    H    ASP  36           HN       ASP  36  37.145  14.271  13.097
  285    HA   ASP  36           HA       ASP  36  39.106  16.111  13.999
  286    HB2  ASP  36           HB2      ASP  36  38.004  14.493  15.513
  287    HB3  ASP  36           HB1      ASP  36  38.804  13.166  14.676
  288    H    LYS  37           HN       LYS  37  39.209  13.328  11.915
  289    HA   LYS  37           HA       LYS  37  42.043  12.995  11.806
  290    HB2  LYS  37           HB2      LYS  37  40.118  12.284   9.604
  291    HB3  LYS  37           HB1      LYS  37  41.630  11.497  10.020
  292    HG2  LYS  37           HG2      LYS  37  39.210  11.476  11.792
  293    HG3  LYS  37           HG1      LYS  37  39.547  10.236  10.585
  294    HD2  LYS  37           HD2      LYS  37  41.751   9.875  11.732
  295    HD3  LYS  37           HD1      LYS  37  41.173  10.948  13.012
  296    HE2  LYS  37           HE2      LYS  37  40.808   8.574  13.540
  297    HE3  LYS  37           HE1      LYS  37  39.304   9.486  13.450
  298    HZ1  LYS  37           HZ1      LYS  37  40.390   7.830  11.236
  299    HZ2  LYS  37           HZ2      LYS  37  38.874   8.584  11.273
  300    HZ3  LYS  37           HZ3      LYS  37  39.214   7.303  12.323
  301    H    LYS  38           HN       LYS  38  39.920  15.298  10.645
  302    HA   LYS  38           HA       LYS  38  40.044  17.082   9.312
  303    HB2  LYS  38           HB2      LYS  38  42.981  16.413   9.074
  304    HB3  LYS  38           HB1      LYS  38  42.235  17.894   8.491
  305    HG2  LYS  38           HG2      LYS  38  42.662  16.993  11.317
  306    HG3  LYS  38           HG1      LYS  38  43.163  18.494  10.535
  307    HD2  LYS  38           HD2      LYS  38  40.729  19.081  10.314
  308    HD3  LYS  38           HD1      LYS  38  40.369  17.680  11.324
  309    HE2  LYS  38           HE2      LYS  38  40.400  19.570  12.755
  310    HE3  LYS  38           HE1      LYS  38  41.890  18.678  13.060
  311    HZ1  LYS  38           HZ1      LYS  38  42.247  21.075  12.882
  312    HZ2  LYS  38           HZ2      LYS  38  41.645  21.051  11.296
  313    HZ3  LYS  38           HZ3      LYS  38  43.081  20.232  11.673
  314    H    GLU  39           HN       GLU  39  39.655  14.296   8.355
  315    HA   GLU  39           HA       GLU  39  40.306  14.557   5.529
  316    HB2  GLU  39           HB2      GLU  39  38.744  12.413   6.996
  317    HB3  GLU  39           HB1      GLU  39  39.177  12.368   5.294
  318    HG2  GLU  39           HG2      GLU  39  41.555  12.387   5.927
  319    HG3  GLU  39           HG1      GLU  39  41.079  12.335   7.622
  320    H    ALA  40           HN       ALA  40  38.153  15.807   7.552
  321    HA   ALA  40           HA       ALA  40  36.262  16.371   5.414
  322    HB1  ALA  40           HB1      ALA  40  35.248  14.561   6.748
  323    HB2  ALA  40           HB2      ALA  40  34.343  16.067   6.893
  324    HB3  ALA  40           HB3      ALA  40  35.410  15.551   8.198
  325    H    GLU  41           HN       GLU  41  36.540  17.046   8.905
  326    HA   GLU  41           HA       GLU  41  36.596  18.924  10.114
  327    HB2  GLU  41           HB2      GLU  41  38.835  19.081   8.935
  328    HB3  GLU  41           HB1      GLU  41  38.075  20.189   7.801
  329    HG2  GLU  41           HG2      GLU  41  37.498  21.663   9.719
  330    HG3  GLU  41           HG1      GLU  41  38.414  20.585  10.765
  331    H    ARG  42           HN       ARG  42  34.345  19.142   9.968
  332    HA   ARG  42           HA       ARG  42  33.457  21.566   8.959
  333    HB2  ARG  42           HB2      ARG  42  31.776  20.667   7.377
  334    HB3  ARG  42           HB1      ARG  42  33.423  20.419   6.818
  335    HG2  ARG  42           HG2      ARG  42  33.323  18.089   7.570
  336    HG3  ARG  42           HG1      ARG  42  31.664  18.342   8.114
  337    HD2  ARG  42           HD2      ARG  42  31.645  17.268   5.962
  338    HD3  ARG  42           HD1      ARG  42  31.036  18.915   5.795
  339    HE   ARG  42           HE       ARG  42  33.662  19.174   5.220
  340   HH11  ARG  42          HH11      ARG  42  31.140  17.041   4.016
  341   HH12  ARG  42          HH12      ARG  42  31.852  16.885   2.447
  342   HH21  ARG  42          HH21      ARG  42  34.600  18.963   3.137
  343   HH22  ARG  42          HH22      ARG  42  33.820  17.979   1.948
  344    H    LYS  43           HN       LYS  43  32.073  22.112  10.287
  345    HA   LYS  43           HA       LYS  43  30.871  20.472  12.276
  346    HB2  LYS  43           HB2      LYS  43  30.452  23.357  11.499
  347    HB3  LYS  43           HB1      LYS  43  29.390  22.576  12.654
  348    HG2  LYS  43           HG2      LYS  43  32.351  22.487  13.037
  349    HG3  LYS  43           HG1      LYS  43  31.411  23.899  13.529
  350    HD2  LYS  43           HD2      LYS  43  30.078  22.584  15.016
  351    HD3  LYS  43           HD1      LYS  43  30.758  21.084  14.388
  352    HE2  LYS  43           HE2      LYS  43  32.361  23.201  15.814
  353    HE3  LYS  43           HE1      LYS  43  31.665  21.790  16.607
  354    HZ1  LYS  43           HZ1      LYS  43  33.750  21.821  14.499
  355    HZ2  LYS  43           HZ2      LYS  43  32.944  20.417  14.987
  356    HZ3  LYS  43           HZ3      LYS  43  33.903  21.269  16.092
  357    H    ALA  44           HN       ALA  44  30.055  21.054   9.089
  358    HA   ALA  44           HA       ALA  44  27.298  21.039   8.970
  359    HB1  ALA  44           HB1      ALA  44  29.163  19.576   7.090
  360    HB2  ALA  44           HB2      ALA  44  28.649  21.261   6.956
  361    HB3  ALA  44           HB3      ALA  44  27.477  19.965   6.772
  362    H    LEU  45           HN       LEU  45  29.385  18.128   9.146
  363    HA   LEU  45           HA       LEU  45  27.289  16.276   9.287
  364    HB2  LEU  45           HB2      LEU  45  30.100  16.092  10.369
  365    HB3  LEU  45           HB1      LEU  45  28.997  14.741  10.223
  366    HG   LEU  45           HG       LEU  45  30.009  16.367   7.890
  367   HD11  LEU  45          HD11      LEU  45  31.411  14.432   7.392
  368   HD12  LEU  45          HD12      LEU  45  30.875  13.656   8.881
  369   HD13  LEU  45          HD13      LEU  45  31.825  15.141   8.952
  370   HD21  LEU  45          HD21      LEU  45  27.851  15.341   7.464
  371   HD22  LEU  45          HD22      LEU  45  28.454  13.787   8.038
  372   HD23  LEU  45          HD23      LEU  45  29.111  14.497   6.564
  373    H    GLU  46           HN       GLU  46  28.627  18.350  11.712
  374    HA   GLU  46           HA       GLU  46  27.587  16.776  13.901
  375    HB2  GLU  46           HB2      GLU  46  28.920  19.495  13.922
  376    HB3  GLU  46           HB1      GLU  46  28.542  18.524  15.338
  377    HG2  GLU  46           HG2      GLU  46  30.054  16.768  14.537
  378    HG3  GLU  46           HG1      GLU  46  30.446  17.756  13.133
  379    H    ASP  47           HN       ASP  47  26.893  19.928  12.395
  380    HA   ASP  47           HA       ASP  47  24.722  20.643  14.003
  381    HB2  ASP  47           HB2      ASP  47  25.324  21.370  11.132
  382    HB3  ASP  47           HB1      ASP  47  23.985  22.056  12.037
  383    H    LYS  48           HN       LYS  48  24.846  18.006  11.981
  384    HA   LYS  48           HA       LYS  48  22.251  18.037  10.905
  385    HB2  LYS  48           HB2      LYS  48  24.101  15.713  11.505
  386    HB3  LYS  48           HB1      LYS  48  22.559  15.527  10.687
  387    HG2  LYS  48           HG2      LYS  48  24.772  17.296   9.682
  388    HG3  LYS  48           HG1      LYS  48  24.536  15.621   9.178
  389    HD2  LYS  48           HD2      LYS  48  22.309  16.178   8.346
  390    HD3  LYS  48           HD1      LYS  48  22.518  17.846   8.880
  391    HE2  LYS  48           HE2      LYS  48  24.281  16.461   6.870
  392    HE3  LYS  48           HE1      LYS  48  22.921  17.499   6.450
  393    HZ1  LYS  48           HZ1      LYS  48  24.001  19.340   7.520
  394    HZ2  LYS  48           HZ2      LYS  48  25.057  18.667   6.391
  395    HZ3  LYS  48           HZ3      LYS  48  25.274  18.362   8.044
  396    H    LEU  49           HN       LEU  49  20.352  16.524  11.662
  397    HA   LEU  49           HA       LEU  49  19.889  16.901  14.408
  398    HB2  LEU  49           HB2      LEU  49  17.803  15.560  13.942
  399    HB3  LEU  49           HB1      LEU  49  18.015  17.026  13.012
  400    HG   LEU  49           HG       LEU  49  18.877  15.531  11.123
  401   HD11  LEU  49          HD11      LEU  49  18.133  13.209  11.141
  402   HD12  LEU  49          HD12      LEU  49  17.598  13.391  12.812
  403   HD13  LEU  49          HD13      LEU  49  19.312  13.522  12.414
  404   HD21  LEU  49          HD21      LEU  49  16.013  15.266  12.020
  405   HD22  LEU  49          HD22      LEU  49  16.612  14.970  10.388
  406   HD23  LEU  49          HD23      LEU  49  16.694  16.592  11.076
  407    H    ALA  50           HN       ALA  50  21.878  14.693  13.087
  408    HA   ALA  50           HA       ALA  50  21.241  12.268  14.294
  409    HB1  ALA  50           HB1      ALA  50  23.605  11.706  14.038
  410    HB2  ALA  50           HB2      ALA  50  23.988  13.404  13.758
  411    HB3  ALA  50           HB3      ALA  50  22.997  12.521  12.597
  412    H    ASP  51           HN       ASP  51  23.848  14.401  15.444
  413    HA   ASP  51           HA       ASP  51  22.854  14.248  18.177
  414    HB2  ASP  51           HB2      ASP  51  25.685  13.407  17.478
  415    HB3  ASP  51           HB1      ASP  51  25.026  13.563  19.098
  416    H    TYR  52           HN       TYR  52  23.616  15.943  19.431
  417    HA   TYR  52           HA       TYR  52  25.123  17.958  17.923
  418    HB2  TYR  52           HB2      TYR  52  22.869  18.307  19.887
  419    HB3  TYR  52           HB1      TYR  52  23.934  19.632  19.424
  420    HD1  TYR  52           HD1      TYR  52  21.182  17.492  18.391
  421    HD2  TYR  52           HD2      TYR  52  23.948  20.459  17.117
  422    HE1  TYR  52           HE1      TYR  52  19.810  17.908  16.394
  423    HE2  TYR  52           HE2      TYR  52  22.587  20.884  15.123
  424    HH   TYR  52           HH       TYR  52  20.937  19.676  13.746
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   5.003 -19.340  11.511
    2    H2   GLY   1           HT2      GLY   1   4.641 -20.533  10.372
    3    H3   GLY   1           HT3      GLY   1   4.397 -20.829  12.018
    4    HA2  GLY   1           HA1      GLY   1   2.304 -20.384  10.895
    5    HA3  GLY   1           HA2      GLY   1   2.671 -19.192  12.134
    6    H    SER   2           HN       SER   2   4.184 -19.377   8.958
    7    HA   SER   2           HA       SER   2   3.514 -16.630   8.483
    8    HB2  SER   2           HB2      SER   2   4.816 -17.060   6.342
    9    HB3  SER   2           HB1      SER   2   5.710 -17.300   7.844
   10    HG   SER   2           HG       SER   2   4.476 -19.315   6.269
   11    H    VAL   3           HN       VAL   3   1.343 -16.476   8.122
   12    HA   VAL   3           HA       VAL   3  -0.050 -18.239   6.369
   13    HB   VAL   3           HB       VAL   3  -1.926 -16.621   6.560
   14   HG11  VAL   3          HG11      VAL   3  -2.275 -16.891   8.987
   15   HG12  VAL   3          HG12      VAL   3  -0.587 -17.367   9.157
   16   HG13  VAL   3          HG13      VAL   3  -1.696 -18.367   8.219
   17   HG21  VAL   3          HG21      VAL   3  -0.630 -14.549   6.683
   18   HG22  VAL   3          HG22      VAL   3   0.004 -15.031   8.257
   19   HG23  VAL   3          HG23      VAL   3  -1.716 -14.693   8.066
   20    H    GLU   4           HN       GLU   4   1.595 -15.249   6.072
   21    HA   GLU   4           HA       GLU   4   2.248 -13.929   4.307
   22    HB2  GLU   4           HB2      GLU   4   1.687 -16.388   2.640
   23    HB3  GLU   4           HB1      GLU   4   2.690 -15.019   2.189
   24    HG2  GLU   4           HG2      GLU   4   3.248 -16.961   4.424
   25    HG3  GLU   4           HG1      GLU   4   4.044 -16.925   2.853
   26    H    LYS   5           HN       LYS   5   0.048 -12.867   4.849
   27    HA   LYS   5           HA       LYS   5  -1.729 -12.976   2.518
   28    HB2  LYS   5           HB2      LYS   5  -2.583 -12.953   5.420
   29    HB3  LYS   5           HB1      LYS   5  -3.668 -12.672   4.069
   30    HG2  LYS   5           HG2      LYS   5  -3.027 -14.958   3.226
   31    HG3  LYS   5           HG1      LYS   5  -2.206 -15.204   4.766
   32    HD2  LYS   5           HD2      LYS   5  -5.128 -14.510   4.459
   33    HD3  LYS   5           HD1      LYS   5  -4.504 -16.137   4.725
   34    HE2  LYS   5           HE2      LYS   5  -3.617 -15.493   6.873
   35    HE3  LYS   5           HE1      LYS   5  -4.056 -13.811   6.593
   36    HZ1  LYS   5           HZ1      LYS   5  -6.000 -16.044   6.767
   37    HZ2  LYS   5           HZ2      LYS   5  -6.357 -14.393   6.658
   38    HZ3  LYS   5           HZ3      LYS   5  -5.611 -15.010   8.045
   39    H    LEU   6           HN       LEU   6   0.381 -11.172   3.004
   40    HA   LEU   6           HA       LEU   6   0.864  -8.957   2.955
   41    HB2  LEU   6           HB2      LEU   6  -2.138  -8.590   2.904
   42    HB3  LEU   6           HB1      LEU   6  -0.966  -7.317   2.628
   43    HG   LEU   6           HG       LEU   6  -1.402  -9.739   0.877
   44   HD11  LEU   6          HD11      LEU   6  -1.995  -6.823   0.416
   45   HD12  LEU   6          HD12      LEU   6  -3.185  -8.089   0.717
   46   HD13  LEU   6          HD13      LEU   6  -2.213  -8.123  -0.755
   47   HD21  LEU   6          HD21      LEU   6   0.491  -7.411   0.557
   48   HD22  LEU   6          HD22      LEU   6   0.183  -8.655  -0.652
   49   HD23  LEU   6          HD23      LEU   6   0.943  -9.086   0.877
   50    H    THR   7           HN       THR   7   0.527 -10.438   5.459
   51    HA   THR   7           HA       THR   7   0.289  -8.224   7.165
   52    HB   THR   7           HB       THR   7  -1.861  -9.348   7.416
   53    HG1  THR   7           HG1      THR   7  -1.074  -8.709   9.388
   54   HG21  THR   7          HG21      THR   7  -2.048 -11.716   8.011
   55   HG22  THR   7          HG22      THR   7  -0.297 -11.889   7.904
   56   HG23  THR   7          HG23      THR   7  -1.236 -11.523   6.458
   57    H    ALA   8           HN       ALA   8   1.609  -8.777   9.090
   58    HA   ALA   8           HA       ALA   8   3.429  -9.516  10.242
   59    HB1  ALA   8           HB1      ALA   8   3.332 -11.961   8.468
   60    HB2  ALA   8           HB2      ALA   8   2.527 -11.799  10.029
   61    HB3  ALA   8           HB3      ALA   8   4.288 -11.781   9.938
   62    H    ASP   9           HN       ASP   9   3.489  -9.776   6.814
   63    HA   ASP   9           HA       ASP   9   6.265  -9.578   6.363
   64    HB2  ASP   9           HB2      ASP   9   4.104  -8.470   4.557
   65    HB3  ASP   9           HB1      ASP   9   5.728  -8.961   4.098
   66    H    ALA  10           HN       ALA  10   3.711  -7.179   6.633
   67    HA   ALA  10           HA       ALA  10   5.232  -4.892   6.164
   68    HB1  ALA  10           HB1      ALA  10   3.466  -3.642   7.280
   69    HB2  ALA  10           HB2      ALA  10   2.804  -5.126   7.952
   70    HB3  ALA  10           HB3      ALA  10   2.778  -4.854   6.205
   71    H    GLU  11           HN       GLU  11   4.904  -6.838   9.067
   72    HA   GLU  11           HA       GLU  11   6.019  -4.864  10.814
   73    HB2  GLU  11           HB2      GLU  11   4.575  -6.623  11.717
   74    HB3  GLU  11           HB1      GLU  11   5.706  -7.861  11.185
   75    HG2  GLU  11           HG2      GLU  11   7.334  -7.151  12.750
   76    HG3  GLU  11           HG1      GLU  11   6.395  -5.718  13.163
   77    H    LEU  12           HN       LEU  12   7.236  -7.735   9.204
   78    HA   LEU  12           HA       LEU  12   9.910  -7.426  10.130
   79    HB2  LEU  12           HB2      LEU  12  10.564  -9.082   8.437
   80    HB3  LEU  12           HB1      LEU  12   9.177  -9.608   9.356
   81    HG   LEU  12           HG       LEU  12   7.818  -8.725   7.272
   82   HD11  LEU  12          HD11      LEU  12  10.488  -9.255   6.020
   83   HD12  LEU  12          HD12      LEU  12   9.706  -7.678   6.160
   84   HD13  LEU  12          HD13      LEU  12   8.965  -8.944   5.183
   85   HD21  LEU  12          HD21      LEU  12   8.014 -10.933   6.247
   86   HD22  LEU  12          HD22      LEU  12   7.868 -11.029   8.001
   87   HD23  LEU  12          HD23      LEU  12   9.440 -11.256   7.233
   88    H    GLN  13           HN       GLN  13   8.124  -6.116   7.492
   89    HA   GLN  13           HA       GLN  13  10.308  -5.032   6.026
   90    HB2  GLN  13           HB2      GLN  13   8.078  -5.259   5.005
   91    HB3  GLN  13           HB1      GLN  13   7.424  -4.091   6.147
   92    HG2  GLN  13           HG2      GLN  13   8.924  -2.381   5.198
   93    HG3  GLN  13           HG1      GLN  13   9.464  -3.560   4.003
   94   HE21  GLN  13          HE21      GLN  13   8.095  -1.004   3.648
   95   HE22  GLN  13          HE22      GLN  13   6.644  -1.360   2.776
   96    H    ARG  14           HN       ARG  14   8.114  -3.663   8.463
   97    HA   ARG  14           HA       ARG  14   9.316  -1.118   8.590
   98    HB2  ARG  14           HB2      ARG  14   7.753  -2.638  10.696
   99    HB3  ARG  14           HB1      ARG  14   8.251  -0.964  10.862
  100    HG2  ARG  14           HG2      ARG  14   6.461  -2.005   8.679
  101    HG3  ARG  14           HG1      ARG  14   5.908  -1.215  10.156
  102    HD2  ARG  14           HD2      ARG  14   7.716   0.010   8.076
  103    HD3  ARG  14           HD1      ARG  14   5.994   0.333   8.253
  104    HE   ARG  14           HE       ARG  14   6.840   0.999  10.667
  105   HH11  ARG  14          HH11      ARG  14   8.255   1.746   7.550
  106   HH12  ARG  14          HH12      ARG  14   8.923   3.253   8.073
  107   HH21  ARG  14          HH21      ARG  14   7.721   2.991  11.361
  108   HH22  ARG  14          HH22      ARG  14   8.629   3.961  10.251
  109    H    LEU  15           HN       LEU  15   9.836  -4.045  10.467
  110    HA   LEU  15           HA       LEU  15  11.723  -3.109  12.295
  111    HB2  LEU  15           HB2      LEU  15  10.659  -5.342  12.376
  112    HB3  LEU  15           HB1      LEU  15  11.624  -5.839  11.001
  113    HG   LEU  15           HG       LEU  15  13.669  -5.469  12.403
  114   HD11  LEU  15          HD11      LEU  15  11.637  -5.189  14.609
  115   HD12  LEU  15          HD12      LEU  15  12.735  -3.935  14.033
  116   HD13  LEU  15          HD13      LEU  15  13.377  -5.369  14.831
  117   HD21  LEU  15          HD21      LEU  15  12.750  -7.695  12.051
  118   HD22  LEU  15          HD22      LEU  15  11.652  -7.471  13.413
  119   HD23  LEU  15          HD23      LEU  15  13.392  -7.538  13.685
  120    H    LYS  16           HN       LYS  16  12.153  -4.274   9.022
  121    HA   LYS  16           HA       LYS  16  15.026  -4.046   9.112
  122    HB2  LYS  16           HB2      LYS  16  13.929  -5.715   7.644
  123    HB3  LYS  16           HB1      LYS  16  13.247  -4.411   6.681
  124    HG2  LYS  16           HG2      LYS  16  15.537  -3.672   6.131
  125    HG3  LYS  16           HG1      LYS  16  16.166  -5.058   7.021
  126    HD2  LYS  16           HD2      LYS  16  14.355  -5.179   4.607
  127    HD3  LYS  16           HD1      LYS  16  16.088  -5.495   4.611
  128    HE2  LYS  16           HE2      LYS  16  15.705  -7.360   6.189
  129    HE3  LYS  16           HE1      LYS  16  13.971  -7.066   6.078
  130    HZ1  LYS  16           HZ1      LYS  16  14.128  -7.510   3.681
  131    HZ2  LYS  16           HZ2      LYS  16  14.587  -8.837   4.615
  132    HZ3  LYS  16           HZ3      LYS  16  15.767  -7.890   3.867
  133    H    ASN  17           HN       ASN  17  12.408  -2.218   7.534
  134    HA   ASN  17           HA       ASN  17  14.013  -0.316   6.247
  135    HB2  ASN  17           HB2      ASN  17  11.556  -0.635   5.811
  136    HB3  ASN  17           HB1      ASN  17  11.227   0.193   7.332
  137   HD21  ASN  17          HD21      ASN  17  11.526   2.422   7.453
  138   HD22  ASN  17          HD22      ASN  17  11.780   3.394   6.049
  139    H    GLU  18           HN       GLU  18  12.520  -0.216   9.459
  140    HA   GLU  18           HA       GLU  18  13.393   2.362  10.118
  141    HB2  GLU  18           HB2      GLU  18  12.688  -0.002  11.850
  142    HB3  GLU  18           HB1      GLU  18  13.080   1.581  12.503
  143    HG2  GLU  18           HG2      GLU  18  11.195   2.557  11.310
  144    HG3  GLU  18           HG1      GLU  18  10.815   0.985  10.609
  145    H    ARG  19           HN       ARG  19  14.996  -0.774  10.340
  146    HA   ARG  19           HA       ARG  19  17.149   0.249  11.892
  147    HB2  ARG  19           HB2      ARG  19  16.638  -2.198  11.791
  148    HB3  ARG  19           HB1      ARG  19  17.253  -2.218  10.141
  149    HG2  ARG  19           HG2      ARG  19  18.961  -3.005  11.655
  150    HG3  ARG  19           HG1      ARG  19  19.446  -1.449  10.976
  151    HD2  ARG  19           HD2      ARG  19  18.376  -0.433  13.095
  152    HD3  ARG  19           HD1      ARG  19  18.443  -2.063  13.737
  153    HE   ARG  19           HE       ARG  19  20.828  -0.575  12.844
  154   HH11  ARG  19          HH11      ARG  19  19.244  -2.769  15.067
  155   HH12  ARG  19          HH12      ARG  19  20.574  -2.845  16.162
  156   HH21  ARG  19          HH21      ARG  19  22.599  -0.618  14.313
  157   HH22  ARG  19          HH22      ARG  19  22.502  -1.622  15.725
  158    H    HIS  20           HN       HIS  20  16.489   0.163   8.479
  159    HA   HIS  20           HA       HIS  20  19.145   0.739   7.635
  160    HB2  HIS  20           HB2      HIS  20  16.487   1.239   6.271
  161    HB3  HIS  20           HB1      HIS  20  18.021   1.695   5.547
  162    HD1  HIS  20           HD1      HIS  20  19.738  -0.362   5.138
  163    HD2  HIS  20           HD2      HIS  20  15.769  -1.361   5.844
  164    HE1  HIS  20           HE1      HIS  20  19.498  -2.739   4.368
  165    H    GLU  21           HN       GLU  21  16.433   2.772   8.578
  166    HA   GLU  21           HA       GLU  21  17.694   5.267   8.114
  167    HB2  GLU  21           HB2      GLU  21  15.651   4.610  10.232
  168    HB3  GLU  21           HB1      GLU  21  15.985   6.192   9.553
  169    HG2  GLU  21           HG2      GLU  21  15.110   5.485   7.411
  170    HG3  GLU  21           HG1      GLU  21  14.837   3.861   8.043
  171    H    GLU  22           HN       GLU  22  17.653   2.983  10.750
  172    HA   GLU  22           HA       GLU  22  18.986   4.583  12.697
  173    HB2  GLU  22           HB2      GLU  22  17.654   2.681  13.425
  174    HB3  GLU  22           HB1      GLU  22  18.608   1.580  12.445
  175    HG2  GLU  22           HG2      GLU  22  19.203   1.297  14.731
  176    HG3  GLU  22           HG1      GLU  22  20.555   2.044  13.885
  177    H    ALA  23           HN       ALA  23  20.022   2.652   9.991
  178    HA   ALA  23           HA       ALA  23  22.702   2.283  11.004
  179    HB1  ALA  23           HB1      ALA  23  21.644   0.535   9.590
  180    HB2  ALA  23           HB2      ALA  23  23.149   1.145   8.912
  181    HB3  ALA  23           HB3      ALA  23  21.611   1.677   8.242
  182    H    GLU  24           HN       GLU  24  20.898   4.529   9.239
  183    HA   GLU  24           HA       GLU  24  23.050   5.756   7.800
  184    HB2  GLU  24           HB2      GLU  24  20.750   6.113   7.052
  185    HB3  GLU  24           HB1      GLU  24  20.325   6.850   8.591
  186    HG2  GLU  24           HG2      GLU  24  21.886   8.681   8.116
  187    HG3  GLU  24           HG1      GLU  24  22.237   7.948   6.551
  188    H    LEU  25           HN       LEU  25  21.365   6.393  10.808
  189    HA   LEU  25           HA       LEU  25  22.947   8.597  11.605
  190    HB2  LEU  25           HB2      LEU  25  21.053   6.760  13.002
  191    HB3  LEU  25           HB1      LEU  25  22.107   7.762  13.977
  192    HG   LEU  25           HG       LEU  25  21.166   9.783  12.925
  193   HD11  LEU  25          HD11      LEU  25  20.542   8.876  10.756
  194   HD12  LEU  25          HD12      LEU  25  19.166   9.644  11.541
  195   HD13  LEU  25          HD13      LEU  25  19.292   7.888  11.517
  196   HD21  LEU  25          HD21      LEU  25  20.197   8.963  14.992
  197   HD22  LEU  25          HD22      LEU  25  19.105   7.918  14.086
  198   HD23  LEU  25          HD23      LEU  25  18.953   9.670  13.964
  199    H    GLU  26           HN       GLU  26  23.203   5.136  12.153
  200    HA   GLU  26           HA       GLU  26  25.441   5.315  13.899
  201    HB2  GLU  26           HB2      GLU  26  24.482   3.000  12.205
  202    HB3  GLU  26           HB1      GLU  26  25.742   2.888  13.425
  203    HG2  GLU  26           HG2      GLU  26  24.021   3.707  15.089
  204    HG3  GLU  26           HG1      GLU  26  22.812   3.439  13.837
  205    H    ARG  27           HN       ARG  27  25.081   4.920  10.431
  206    HA   ARG  27           HA       ARG  27  27.810   4.579   9.764
  207    HB2  ARG  27           HB2      ARG  27  26.002   4.137   8.149
  208    HB3  ARG  27           HB1      ARG  27  25.581   5.844   8.135
  209    HG2  ARG  27           HG2      ARG  27  27.724   6.373   7.126
  210    HG3  ARG  27           HG1      ARG  27  28.173   4.666   7.171
  211    HD2  ARG  27           HD2      ARG  27  27.372   5.260   4.958
  212    HD3  ARG  27           HD1      ARG  27  26.255   4.138   5.733
  213    HE   ARG  27           HE       ARG  27  25.699   7.016   5.862
  214   HH11  ARG  27          HH11      ARG  27  24.824   3.823   4.686
  215   HH12  ARG  27          HH12      ARG  27  23.289   4.322   4.079
  216   HH21  ARG  27          HH21      ARG  27  23.643   7.679   5.068
  217   HH22  ARG  27          HH22      ARG  27  22.601   6.524   4.310
  218    H    LEU  28           HN       LEU  28  25.888   7.353  10.509
  219    HA   LEU  28           HA       LEU  28  27.844   9.265   9.591
  220    HB2  LEU  28           HB2      LEU  28  25.388   9.753   9.598
  221    HB3  LEU  28           HB1      LEU  28  25.425   9.734  11.351
  222    HG   LEU  28           HG       LEU  28  26.921  11.672  11.346
  223   HD11  LEU  28          HD11      LEU  28  26.587  11.551   8.354
  224   HD12  LEU  28          HD12      LEU  28  28.084  11.313   9.258
  225   HD13  LEU  28          HD13      LEU  28  27.304  12.892   9.242
  226   HD21  LEU  28          HD21      LEU  28  24.423  12.029   9.697
  227   HD22  LEU  28          HD22      LEU  28  25.293  13.314  10.534
  228   HD23  LEU  28          HD23      LEU  28  24.519  12.028  11.458
  229    H    LYS  29           HN       LYS  29  27.272   7.415  12.425
  230    HA   LYS  29           HA       LYS  29  28.797   9.191  14.147
  231    HB2  LYS  29           HB2      LYS  29  26.894   8.086  15.185
  232    HB3  LYS  29           HB1      LYS  29  27.455   6.509  14.647
  233    HG2  LYS  29           HG2      LYS  29  29.489   6.853  16.074
  234    HG3  LYS  29           HG1      LYS  29  28.693   8.283  16.731
  235    HD2  LYS  29           HD2      LYS  29  27.489   5.519  16.767
  236    HD3  LYS  29           HD1      LYS  29  28.418   6.202  18.101
  237    HE2  LYS  29           HE2      LYS  29  25.921   7.436  16.943
  238    HE3  LYS  29           HE1      LYS  29  25.956   6.412  18.376
  239    HZ1  LYS  29           HZ1      LYS  29  25.963   8.757  18.940
  240    HZ2  LYS  29           HZ2      LYS  29  27.392   8.991  18.080
  241    HZ3  LYS  29           HZ3      LYS  29  27.386   8.009  19.455
  242    H    SER  30           HN       SER  30  29.087   6.376  12.184
  243    HA   SER  30           HA       SER  30  31.434   5.367  13.500
  244    HB2  SER  30           HB2      SER  30  29.813   3.829  12.360
  245    HB3  SER  30           HB1      SER  30  30.315   4.515  10.811
  246    HG   SER  30           HG       SER  30  31.462   2.591  11.323
  247    H    GLU  31           HN       GLU  31  30.705   7.600  11.000
  248    HA   GLU  31           HA       GLU  31  33.171   7.511   9.629
  249    HB2  GLU  31           HB2      GLU  31  31.110   8.606   8.763
  250    HB3  GLU  31           HB1      GLU  31  31.315   9.870   9.967
  251    HG2  GLU  31           HG2      GLU  31  32.119  10.534   7.750
  252    HG3  GLU  31           HG1      GLU  31  33.395  10.551   8.967
  253    H    ARG  32           HN       ARG  32  32.049   9.249  12.488
  254    HA   ARG  32           HA       ARG  32  34.533  10.694  12.731
  255    HB2  ARG  32           HB2      ARG  32  31.968  10.595  14.282
  256    HB3  ARG  32           HB1      ARG  32  33.401  11.333  14.986
  257    HG2  ARG  32           HG2      ARG  32  33.467  13.023  13.381
  258    HG3  ARG  32           HG1      ARG  32  32.405  12.146  12.281
  259    HD2  ARG  32           HD2      ARG  32  31.486  13.084  14.981
  260    HD3  ARG  32           HD1      ARG  32  31.409  14.123  13.557
  261    HE   ARG  32           HE       ARG  32  30.174  11.891  12.711
  262   HH11  ARG  32          HH11      ARG  32  29.721  13.864  15.583
  263   HH12  ARG  32          HH12      ARG  32  28.029  13.531  15.704
  264   HH21  ARG  32          HH21      ARG  32  27.956  11.441  12.876
  265   HH22  ARG  32          HH22      ARG  32  27.012  12.148  14.144
  266    H    HIS  33           HN       HIS  33  32.890   7.964  14.207
  267    HA   HIS  33           HA       HIS  33  34.851   7.454  16.207
  268    HB2  HIS  33           HB2      HIS  33  32.584   6.563  16.421
  269    HB3  HIS  33           HB1      HIS  33  32.768   5.652  14.931
  270    HD1  HIS  33           HD1      HIS  33  33.767   5.618  18.555
  271    HD2  HIS  33           HD2      HIS  33  34.088   3.211  15.182
  272    HE1  HIS  33           HE1      HIS  33  34.574   3.396  19.391
  273    H    ASP  34           HN       ASP  34  34.797   7.057  12.860
  274    HA   ASP  34           HA       ASP  34  36.494   4.778  12.616
  275    HB2  ASP  34           HB2      ASP  34  35.021   5.504  10.758
  276    HB3  ASP  34           HB1      ASP  34  35.990   6.964  10.574
  277    H    HIS  35           HN       HIS  35  37.071   7.973  13.548
  278    HA   HIS  35           HA       HIS  35  39.635   8.397  12.470
  279    HB2  HIS  35           HB2      HIS  35  38.225  10.152  13.624
  280    HB3  HIS  35           HB1      HIS  35  38.637   9.395  15.160
  281    HD2  HIS  35           HD2      HIS  35  41.321   9.817  15.993
  282    HE1  HIS  35           HE1      HIS  35  42.111  12.810  13.098
  283    HE2  HIS  35           HE2      HIS  35  42.830  11.789  15.277
  284    H    ASP  36           HN       ASP  36  38.526   6.355  15.017
  285    HA   ASP  36           HA       ASP  36  41.167   6.031  16.169
  286    HB2  ASP  36           HB2      ASP  36  38.556   4.655  16.829
  287    HB3  ASP  36           HB1      ASP  36  40.070   4.407  17.689
  288    H    LYS  37           HN       LYS  37  38.944   4.133  14.161
  289    HA   LYS  37           HA       LYS  37  40.866   1.940  14.167
  290    HB2  LYS  37           HB2      LYS  37  39.184   0.547  13.194
  291    HB3  LYS  37           HB1      LYS  37  38.434   1.457  14.489
  292    HG2  LYS  37           HG2      LYS  37  37.570   3.032  12.705
  293    HG3  LYS  37           HG1      LYS  37  38.118   1.842  11.523
  294    HD2  LYS  37           HD2      LYS  37  36.753   0.164  12.988
  295    HD3  LYS  37           HD1      LYS  37  35.943   1.617  13.573
  296    HE2  LYS  37           HE2      LYS  37  36.114   0.667  10.711
  297    HE3  LYS  37           HE1      LYS  37  34.687   0.642  11.742
  298    HZ1  LYS  37           HZ1      LYS  37  34.665   2.483  10.179
  299    HZ2  LYS  37           HZ2      LYS  37  36.111   3.084  10.808
  300    HZ3  LYS  37           HZ3      LYS  37  34.707   3.057  11.768
  301    H    LYS  38           HN       LYS  38  39.640   4.397  12.028
  302    HA   LYS  38           HA       LYS  38  40.270   5.162  10.002
  303    HB2  LYS  38           HB2      LYS  38  42.882   3.842  10.733
  304    HB3  LYS  38           HB1      LYS  38  42.664   5.039   9.466
  305    HG2  LYS  38           HG2      LYS  38  41.997   6.689  11.141
  306    HG3  LYS  38           HG1      LYS  38  42.222   5.483  12.411
  307    HD2  LYS  38           HD2      LYS  38  44.585   5.281  11.789
  308    HD3  LYS  38           HD1      LYS  38  44.356   6.498  10.536
  309    HE2  LYS  38           HE2      LYS  38  45.357   7.498  12.498
  310    HE3  LYS  38           HE1      LYS  38  43.731   8.131  12.257
  311    HZ1  LYS  38           HZ1      LYS  38  44.346   5.907  14.113
  312    HZ2  LYS  38           HZ2      LYS  38  42.905   6.798  14.004
  313    HZ3  LYS  38           HZ3      LYS  38  44.312   7.529  14.584
  314    H    GLU  39           HN       GLU  39  38.990   2.554   9.965
  315    HA   GLU  39           HA       GLU  39  39.747   1.780   7.314
  316    HB2  GLU  39           HB2      GLU  39  41.435   0.542   8.556
  317    HB3  GLU  39           HB1      GLU  39  40.187  -0.191   9.555
  318    HG2  GLU  39           HG2      GLU  39  39.256  -1.282   7.574
  319    HG3  GLU  39           HG1      GLU  39  40.530  -0.568   6.592
  320    H    ALA  40           HN       ALA  40  37.979   1.319   6.271
  321    HA   ALA  40           HA       ALA  40  35.930   0.612   5.702
  322    HB1  ALA  40           HB1      ALA  40  36.787  -1.568   6.452
  323    HB2  ALA  40           HB2      ALA  40  35.053  -1.418   6.722
  324    HB3  ALA  40           HB3      ALA  40  36.173  -1.243   8.072
  325    H    GLU  41           HN       GLU  41  33.681  -0.203   7.229
  326    HA   GLU  41           HA       GLU  41  33.133   2.294   8.684
  327    HB2  GLU  41           HB2      GLU  41  31.942   2.102   6.529
  328    HB3  GLU  41           HB1      GLU  41  31.203   0.606   7.083
  329    HG2  GLU  41           HG2      GLU  41  30.170   1.895   8.946
  330    HG3  GLU  41           HG1      GLU  41  30.789   3.366   8.195
  331    H    ARG  42           HN       ARG  42  32.301  -1.167   8.468
  332    HA   ARG  42           HA       ARG  42  32.202  -1.555  11.210
  333    HB2  ARG  42           HB2      ARG  42  29.699  -0.831   9.828
  334    HB3  ARG  42           HB1      ARG  42  29.624  -2.304  10.775
  335    HG2  ARG  42           HG2      ARG  42  30.407  -1.024  12.744
  336    HG3  ARG  42           HG1      ARG  42  30.339   0.446  11.764
  337    HD2  ARG  42           HD2      ARG  42  27.987   0.160  11.407
  338    HD3  ARG  42           HD1      ARG  42  28.013  -1.405  12.207
  339    HE   ARG  42           HE       ARG  42  28.938   0.481  14.029
  340   HH11  ARG  42          HH11      ARG  42  26.016  -0.228  12.250
  341   HH12  ARG  42          HH12      ARG  42  24.944   0.370  13.472
  342   HH21  ARG  42          HH21      ARG  42  27.554   1.277  15.675
  343   HH22  ARG  42          HH22      ARG  42  25.833   1.236  15.446
  344    H    LYS  43           HN       LYS  43  32.766  -3.498  11.321
  345    HA   LYS  43           HA       LYS  43  32.651  -5.367   9.155
  346    HB2  LYS  43           HB2      LYS  43  33.639  -6.978  10.787
  347    HB3  LYS  43           HB1      LYS  43  34.547  -5.482  10.627
  348    HG2  LYS  43           HG2      LYS  43  33.539  -4.656  12.700
  349    HG3  LYS  43           HG1      LYS  43  32.647  -6.167  12.859
  350    HD2  LYS  43           HD2      LYS  43  34.705  -7.409  13.065
  351    HD3  LYS  43           HD1      LYS  43  35.653  -5.954  12.752
  352    HE2  LYS  43           HE2      LYS  43  33.808  -6.362  15.105
  353    HE3  LYS  43           HE1      LYS  43  35.564  -6.528  15.149
  354    HZ1  LYS  43           HZ1      LYS  43  34.868  -4.361  15.947
  355    HZ2  LYS  43           HZ2      LYS  43  34.072  -4.042  14.499
  356    HZ3  LYS  43           HZ3      LYS  43  35.756  -4.201  14.522
  357    H    ALA  44           HN       ALA  44  30.662  -4.614  11.847
  358    HA   ALA  44           HA       ALA  44  29.335  -7.009  12.350
  359    HB1  ALA  44           HB1      ALA  44  28.141  -4.231  12.447
  360    HB2  ALA  44           HB2      ALA  44  29.015  -5.035  13.757
  361    HB3  ALA  44           HB3      ALA  44  27.473  -5.672  13.204
  362    H    LEU  45           HN       LEU  45  28.642  -4.596   9.853
  363    HA   LEU  45           HA       LEU  45  26.303  -5.908   8.910
  364    HB2  LEU  45           HB2      LEU  45  28.068  -3.805   7.649
  365    HB3  LEU  45           HB1      LEU  45  26.686  -4.486   6.828
  366    HG   LEU  45           HG       LEU  45  25.237  -3.657   8.699
  367   HD11  LEU  45          HD11      LEU  45  27.731  -2.184   9.520
  368   HD12  LEU  45          HD12      LEU  45  26.926  -3.458  10.434
  369   HD13  LEU  45          HD13      LEU  45  26.111  -1.918  10.164
  370   HD21  LEU  45          HD21      LEU  45  25.408  -2.456   6.594
  371   HD22  LEU  45          HD22      LEU  45  26.831  -1.595   7.184
  372   HD23  LEU  45          HD23      LEU  45  25.262  -1.329   7.943
  373    H    GLU  46           HN       GLU  46  29.711  -6.007   7.950
  374    HA   GLU  46           HA       GLU  46  29.371  -7.500   5.592
  375    HB2  GLU  46           HB2      GLU  46  31.763  -7.322   7.433
  376    HB3  GLU  46           HB1      GLU  46  31.777  -7.959   5.797
  377    HG2  GLU  46           HG2      GLU  46  31.056  -5.135   6.529
  378    HG3  GLU  46           HG1      GLU  46  32.637  -5.664   5.955
  379    H    ASP  47           HN       ASP  47  29.835  -8.402   8.943
  380    HA   ASP  47           HA       ASP  47  30.065 -11.206   8.308
  381    HB2  ASP  47           HB2      ASP  47  29.831  -9.774  10.963
  382    HB3  ASP  47           HB1      ASP  47  29.937 -11.521  10.806
  383    H    LYS  48           HN       LYS  48  27.577  -9.026   9.390
  384    HA   LYS  48           HA       LYS  48  25.651 -10.913  10.145
  385    HB2  LYS  48           HB2      LYS  48  25.279  -8.585  10.678
  386    HB3  LYS  48           HB1      LYS  48  25.194  -8.154   8.974
  387    HG2  LYS  48           HG2      LYS  48  23.158  -9.394   8.712
  388    HG3  LYS  48           HG1      LYS  48  23.275  -9.999  10.363
  389    HD2  LYS  48           HD2      LYS  48  23.007  -7.744  11.228
  390    HD3  LYS  48           HD1      LYS  48  22.958  -7.102   9.583
  391    HE2  LYS  48           HE2      LYS  48  20.712  -7.366  10.606
  392    HE3  LYS  48           HE1      LYS  48  20.923  -8.290   9.120
  393    HZ1  LYS  48           HZ1      LYS  48  19.820  -9.610  10.812
  394    HZ2  LYS  48           HZ2      LYS  48  21.107  -9.387  11.877
  395    HZ3  LYS  48           HZ3      LYS  48  21.332 -10.269  10.459
  396    H    LEU  49           HN       LEU  49  25.923  -9.302   6.918
  397    HA   LEU  49           HA       LEU  49  24.012 -11.034   5.773
  398    HB2  LEU  49           HB2      LEU  49  24.795 -10.066   3.611
  399    HB3  LEU  49           HB1      LEU  49  24.281  -8.893   4.800
  400    HG   LEU  49           HG       LEU  49  26.784  -8.600   5.330
  401   HD11  LEU  49          HD11      LEU  49  27.617 -10.566   4.170
  402   HD12  LEU  49          HD12      LEU  49  28.314  -9.094   3.494
  403   HD13  LEU  49          HD13      LEU  49  27.020  -9.932   2.636
  404   HD21  LEU  49          HD21      LEU  49  27.047  -6.991   3.518
  405   HD22  LEU  49          HD22      LEU  49  25.422  -6.930   4.199
  406   HD23  LEU  49          HD23      LEU  49  25.701  -7.734   2.656
  407    H    ALA  50           HN       ALA  50  26.812 -11.967   6.928
  408    HA   ALA  50           HA       ALA  50  27.409 -13.807   4.716
  409    HB1  ALA  50           HB1      ALA  50  29.656 -14.025   5.670
  410    HB2  ALA  50           HB2      ALA  50  29.228 -12.884   6.946
  411    HB3  ALA  50           HB3      ALA  50  29.295 -12.346   5.267
  412    H    ASP  51           HN       ASP  51  28.484 -15.871   5.719
  413    HA   ASP  51           HA       ASP  51  27.187 -16.625   8.221
  414    HB2  ASP  51           HB2      ASP  51  25.606 -17.287   6.463
  415    HB3  ASP  51           HB1      ASP  51  26.878 -18.195   5.657
  416    H    TYR  52           HN       TYR  52  28.528 -17.720   9.487
  417    HA   TYR  52           HA       TYR  52  31.111 -18.466   8.514
  418    HB2  TYR  52           HB2      TYR  52  29.828 -18.828  11.229
  419    HB3  TYR  52           HB1      TYR  52  31.507 -19.181  10.859
  420    HD1  TYR  52           HD1      TYR  52  29.274 -16.756  12.085
  421    HD2  TYR  52           HD2      TYR  52  32.873 -17.169   9.852
  422    HE1  TYR  52           HE1      TYR  52  29.871 -14.434  12.625
  423    HE2  TYR  52           HE2      TYR  52  33.478 -14.847  10.388
  424    HH   TYR  52           HH       TYR  52  32.308 -12.740  11.027
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  -4.846 -19.321  13.793
    2    H2   GLY   1           HT2      GLY   1  -4.387 -19.057  15.395
    3    H3   GLY   1           HT3      GLY   1  -3.244 -18.931  14.156
    4    HA2  GLY   1           HA1      GLY   1  -5.588 -17.166  14.506
    5    HA3  GLY   1           HA2      GLY   1  -3.937 -16.759  14.952
    6    H    SER   2           HN       SER   2  -6.201 -16.285  12.672
    7    HA   SER   2           HA       SER   2  -4.640 -16.500  10.283
    8    HB2  SER   2           HB2      SER   2  -7.119 -16.624  10.302
    9    HB3  SER   2           HB1      SER   2  -7.181 -14.935  10.795
   10    HG   SER   2           HG       SER   2  -7.430 -14.979   8.608
   11    H    VAL   3           HN       VAL   3  -5.130 -14.132  12.739
   12    HA   VAL   3           HA       VAL   3  -4.447 -11.774  11.464
   13    HB   VAL   3           HB       VAL   3  -3.547 -10.978  13.684
   14   HG11  VAL   3          HG11      VAL   3  -5.870 -10.674  13.080
   15   HG12  VAL   3          HG12      VAL   3  -5.740 -11.063  14.795
   16   HG13  VAL   3          HG13      VAL   3  -6.258 -12.296  13.647
   17   HG21  VAL   3          HG21      VAL   3  -2.696 -13.095  14.538
   18   HG22  VAL   3          HG22      VAL   3  -4.326 -13.765  14.553
   19   HG23  VAL   3          HG23      VAL   3  -3.909 -12.437  15.636
   20    H    GLU   4           HN       GLU   4  -2.191 -14.241  12.778
   21    HA   GLU   4           HA       GLU   4   0.147 -12.815  12.329
   22    HB2  GLU   4           HB2      GLU   4  -0.210 -15.807  12.250
   23    HB3  GLU   4           HB1      GLU   4   1.273 -14.928  12.600
   24    HG2  GLU   4           HG2      GLU   4  -1.217 -14.962  14.293
   25    HG3  GLU   4           HG1      GLU   4   0.290 -15.813  14.624
   26    H    LYS   5           HN       LYS   5  -1.984 -13.973  10.038
   27    HA   LYS   5           HA       LYS   5   0.143 -14.122   8.009
   28    HB2  LYS   5           HB2      LYS   5  -1.257 -16.154   8.177
   29    HB3  LYS   5           HB1      LYS   5  -2.688 -15.186   7.856
   30    HG2  LYS   5           HG2      LYS   5  -1.863 -14.653   5.640
   31    HG3  LYS   5           HG1      LYS   5  -0.378 -15.548   5.958
   32    HD2  LYS   5           HD2      LYS   5  -1.660 -17.605   6.204
   33    HD3  LYS   5           HD1      LYS   5  -3.159 -16.716   5.935
   34    HE2  LYS   5           HE2      LYS   5  -2.407 -16.122   3.686
   35    HE3  LYS   5           HE1      LYS   5  -0.894 -16.984   3.961
   36    HZ1  LYS   5           HZ1      LYS   5  -2.141 -19.031   4.198
   37    HZ2  LYS   5           HZ2      LYS   5  -2.476 -18.317   2.704
   38    HZ3  LYS   5           HZ3      LYS   5  -3.596 -18.207   3.957
   39    H    LEU   6           HN       LEU   6  -3.062 -12.830   8.725
   40    HA   LEU   6           HA       LEU   6  -3.325 -11.185   6.456
   41    HB2  LEU   6           HB2      LEU   6  -4.516 -10.838   9.208
   42    HB3  LEU   6           HB1      LEU   6  -5.044 -10.004   7.763
   43    HG   LEU   6           HG       LEU   6  -5.178 -12.996   8.133
   44   HD11  LEU   6          HD11      LEU   6  -7.570 -12.667   8.445
   45   HD12  LEU   6          HD12      LEU   6  -7.345 -10.920   8.375
   46   HD13  LEU   6          HD13      LEU   6  -6.648 -11.846   9.704
   47   HD21  LEU   6          HD21      LEU   6  -6.386 -11.175   6.055
   48   HD22  LEU   6          HD22      LEU   6  -6.627 -12.918   6.173
   49   HD23  LEU   6          HD23      LEU   6  -5.029 -12.270   5.803
   50    H    THR   7           HN       THR   7  -1.488 -10.778   9.369
   51    HA   THR   7           HA       THR   7  -0.615  -8.201   8.460
   52    HB   THR   7           HB       THR   7  -0.744  -7.411  10.914
   53    HG1  THR   7           HG1      THR   7  -1.734  -9.791  11.269
   54   HG21  THR   7          HG21      THR   7  -3.300  -7.711   9.326
   55   HG22  THR   7          HG22      THR   7  -2.096  -6.442   9.110
   56   HG23  THR   7          HG23      THR   7  -3.015  -6.539  10.612
   57    H    ALA   8           HN       ALA   8   1.488  -9.096   8.199
   58    HA   ALA   8           HA       ALA   8   3.056  -9.470  10.589
   59    HB1  ALA   8           HB1      ALA   8   2.251 -11.750  10.173
   60    HB2  ALA   8           HB2      ALA   8   3.991 -11.630   9.908
   61    HB3  ALA   8           HB3      ALA   8   2.889 -11.678   8.532
   62    H    ASP   9           HN       ASP   9   2.877  -9.545   7.075
   63    HA   ASP   9           HA       ASP   9   5.597  -9.152   6.504
   64    HB2  ASP   9           HB2      ASP   9   3.236  -8.177   4.877
   65    HB3  ASP   9           HB1      ASP   9   4.873  -8.436   4.290
   66    H    ALA  10           HN       ALA  10   2.960  -6.918   7.059
   67    HA   ALA  10           HA       ALA  10   4.199  -4.495   6.531
   68    HB1  ALA  10           HB1      ALA  10   1.796  -4.670   7.025
   69    HB2  ALA  10           HB2      ALA  10   2.574  -3.445   8.020
   70    HB3  ALA  10           HB3      ALA  10   2.171  -5.011   8.717
   71    H    GLU  11           HN       GLU  11   4.448  -6.479   9.446
   72    HA   GLU  11           HA       GLU  11   5.776  -4.422  10.950
   73    HB2  GLU  11           HB2      GLU  11   5.414  -7.374  11.510
   74    HB3  GLU  11           HB1      GLU  11   6.204  -6.250  12.605
   75    HG2  GLU  11           HG2      GLU  11   3.348  -6.077  11.673
   76    HG3  GLU  11           HG1      GLU  11   3.898  -6.638  13.252
   77    H    LEU  12           HN       LEU  12   6.781  -7.402   9.350
   78    HA   LEU  12           HA       LEU  12   9.521  -7.099   9.957
   79    HB2  LEU  12           HB2      LEU  12   9.985  -8.758   8.215
   80    HB3  LEU  12           HB1      LEU  12   8.681  -9.267   9.258
   81    HG   LEU  12           HG       LEU  12   7.145  -8.377   7.320
   82   HD11  LEU  12          HD11      LEU  12   8.895  -7.307   6.031
   83   HD12  LEU  12          HD12      LEU  12   8.100  -8.588   5.120
   84   HD13  LEU  12          HD13      LEU  12   9.698  -8.865   5.818
   85   HD21  LEU  12          HD21      LEU  12   7.227 -10.576   6.263
   86   HD22  LEU  12          HD22      LEU  12   7.293 -10.700   8.022
   87   HD23  LEU  12          HD23      LEU  12   8.761 -10.904   7.068
   88    H    GLN  13           HN       GLN  13   7.515  -5.675   7.545
   89    HA   GLN  13           HA       GLN  13   9.620  -4.674   5.885
   90    HB2  GLN  13           HB2      GLN  13   7.269  -4.900   5.079
   91    HB3  GLN  13           HB1      GLN  13   6.788  -3.621   6.189
   92    HG2  GLN  13           HG2      GLN  13   8.264  -2.066   4.994
   93    HG3  GLN  13           HG1      GLN  13   8.676  -3.355   3.864
   94   HE21  GLN  13          HE21      GLN  13   7.849  -2.261   2.105
   95   HE22  GLN  13          HE22      GLN  13   6.151  -2.042   1.861
   96    H    ARG  14           HN       ARG  14   7.793  -3.438   8.630
   97    HA   ARG  14           HA       ARG  14   8.865  -0.815   8.628
   98    HB2  ARG  14           HB2      ARG  14   7.726  -2.465  10.901
   99    HB3  ARG  14           HB1      ARG  14   8.143  -0.766  11.023
  100    HG2  ARG  14           HG2      ARG  14   6.459  -0.154   9.462
  101    HG3  ARG  14           HG1      ARG  14   6.145  -1.842   9.054
  102    HD2  ARG  14           HD2      ARG  14   4.435  -0.942  10.558
  103    HD3  ARG  14           HD1      ARG  14   5.336  -2.256  11.310
  104    HE   ARG  14           HE       ARG  14   6.445   0.297  11.940
  105   HH11  ARG  14          HH11      ARG  14   3.913  -1.982  12.799
  106   HH12  ARG  14          HH12      ARG  14   3.713  -1.339  14.395
  107   HH21  ARG  14          HH21      ARG  14   6.192   1.127  14.066
  108   HH22  ARG  14          HH22      ARG  14   5.005   0.432  15.118
  109    H    LEU  15           HN       LEU  15   9.786  -3.796  10.295
  110    HA   LEU  15           HA       LEU  15  11.950  -2.740  11.750
  111    HB2  LEU  15           HB2      LEU  15  10.910  -4.894  12.268
  112    HB3  LEU  15           HB1      LEU  15  11.472  -5.547  10.743
  113    HG   LEU  15           HG       LEU  15  13.810  -5.271  11.520
  114   HD11  LEU  15          HD11      LEU  15  14.223  -4.875  13.904
  115   HD12  LEU  15          HD12      LEU  15  12.509  -4.529  14.137
  116   HD13  LEU  15          HD13      LEU  15  13.492  -3.476  13.117
  117   HD21  LEU  15          HD21      LEU  15  12.678  -7.414  11.738
  118   HD22  LEU  15          HD22      LEU  15  12.023  -6.925  13.301
  119   HD23  LEU  15          HD23      LEU  15  13.762  -7.144  13.104
  120    H    LYS  16           HN       LYS  16  11.617  -3.817   8.479
  121    HA   LYS  16           HA       LYS  16  14.395  -4.096   7.901
  122    HB2  LYS  16           HB2      LYS  16  12.574  -5.117   6.507
  123    HB3  LYS  16           HB1      LYS  16  12.158  -3.504   5.939
  124    HG2  LYS  16           HG2      LYS  16  14.286  -3.285   4.860
  125    HG3  LYS  16           HG1      LYS  16  14.834  -4.815   5.547
  126    HD2  LYS  16           HD2      LYS  16  13.033  -5.974   4.331
  127    HD3  LYS  16           HD1      LYS  16  12.567  -4.437   3.600
  128    HE2  LYS  16           HE2      LYS  16  14.743  -4.255   2.541
  129    HE3  LYS  16           HE1      LYS  16  15.268  -5.745   3.325
  130    HZ1  LYS  16           HZ1      LYS  16  13.532  -6.927   2.116
  131    HZ2  LYS  16           HZ2      LYS  16  14.606  -6.170   1.061
  132    HZ3  LYS  16           HZ3      LYS  16  13.079  -5.500   1.334
  133    H    ASN  17           HN       ASN  17  12.074  -1.464   7.545
  134    HA   ASN  17           HA       ASN  17  13.902   0.390   6.420
  135    HB2  ASN  17           HB2      ASN  17  11.362   0.866   8.006
  136    HB3  ASN  17           HB1      ASN  17  12.289   2.145   7.239
  137   HD21  ASN  17          HD21      ASN  17  12.971   0.471   4.917
  138   HD22  ASN  17          HD22      ASN  17  11.528   0.392   3.975
  139    H    GLU  18           HN       GLU  18  12.885  -0.241   9.747
  140    HA   GLU  18           HA       GLU  18  14.411   1.754  10.997
  141    HB2  GLU  18           HB2      GLU  18  13.552  -0.946  12.027
  142    HB3  GLU  18           HB1      GLU  18  14.219   0.338  13.025
  143    HG2  GLU  18           HG2      GLU  18  12.343   1.758  12.522
  144    HG3  GLU  18           HG1      GLU  18  11.695   0.550  11.409
  145    H    ARG  19           HN       ARG  19  15.219  -1.520  10.030
  146    HA   ARG  19           HA       ARG  19  17.693  -1.773  11.321
  147    HB2  ARG  19           HB2      ARG  19  16.580  -3.676  10.202
  148    HB3  ARG  19           HB1      ARG  19  16.888  -2.936   8.635
  149    HG2  ARG  19           HG2      ARG  19  18.478  -4.678   9.008
  150    HG3  ARG  19           HG1      ARG  19  19.314  -3.125   9.078
  151    HD2  ARG  19           HD2      ARG  19  19.191  -3.205  11.538
  152    HD3  ARG  19           HD1      ARG  19  18.422  -4.787  11.431
  153    HE   ARG  19           HE       ARG  19  20.940  -4.638  10.068
  154   HH11  ARG  19          HH11      ARG  19  19.368  -5.270  13.144
  155   HH12  ARG  19          HH12      ARG  19  20.708  -6.156  13.792
  156   HH21  ARG  19          HH21      ARG  19  22.723  -5.793  10.935
  157   HH22  ARG  19          HH22      ARG  19  22.623  -6.442  12.535
  158    H    HIS  20           HN       HIS  20  16.963  -0.567   8.073
  159    HA   HIS  20           HA       HIS  20  19.693   0.111   7.514
  160    HB2  HIS  20           HB2      HIS  20  17.895  -0.347   5.748
  161    HB3  HIS  20           HB1      HIS  20  17.296   1.277   6.082
  162    HD1  HIS  20           HD1      HIS  20  19.126   3.269   5.607
  163    HD2  HIS  20           HD2      HIS  20  19.915  -0.473   3.951
  164    HE1  HIS  20           HE1      HIS  20  20.841   3.665   3.825
  165    H    GLU  21           HN       GLU  21  16.985   1.749   8.904
  166    HA   GLU  21           HA       GLU  21  17.934   4.418   8.564
  167    HB2  GLU  21           HB2      GLU  21  15.566   4.005   9.008
  168    HB3  GLU  21           HB1      GLU  21  15.958   3.329  10.585
  169    HG2  GLU  21           HG2      GLU  21  16.672   5.448  11.395
  170    HG3  GLU  21           HG1      GLU  21  16.557   6.161   9.788
  171    H    GLU  22           HN       GLU  22  18.131   2.101  11.197
  172    HA   GLU  22           HA       GLU  22  19.505   3.846  12.949
  173    HB2  GLU  22           HB2      GLU  22  18.367   1.845  13.802
  174    HB3  GLU  22           HB1      GLU  22  19.497   0.809  12.940
  175    HG2  GLU  22           HG2      GLU  22  21.327   1.788  14.288
  176    HG3  GLU  22           HG1      GLU  22  20.115   2.676  15.209
  177    H    ALA  23           HN       ALA  23  20.747   1.161  10.870
  178    HA   ALA  23           HA       ALA  23  23.411   1.501  11.480
  179    HB1  ALA  23           HB1      ALA  23  22.517  -0.474  10.327
  180    HB2  ALA  23           HB2      ALA  23  23.893   0.224   9.482
  181    HB3  ALA  23           HB3      ALA  23  22.266   0.498   8.873
  182    H    GLU  24           HN       GLU  24  21.473   3.341   9.165
  183    HA   GLU  24           HA       GLU  24  23.812   4.381   7.852
  184    HB2  GLU  24           HB2      GLU  24  22.295   5.844   6.612
  185    HB3  GLU  24           HB1      GLU  24  21.724   4.185   6.583
  186    HG2  GLU  24           HG2      GLU  24  20.097   4.751   8.347
  187    HG3  GLU  24           HG1      GLU  24  20.645   6.425   8.279
  188    H    LEU  25           HN       LEU  25  21.578   5.474  10.332
  189    HA   LEU  25           HA       LEU  25  22.673   8.046  10.691
  190    HB2  LEU  25           HB2      LEU  25  20.490   7.302  11.596
  191    HB3  LEU  25           HB1      LEU  25  21.329   6.244  12.711
  192    HG   LEU  25           HG       LEU  25  22.372   8.247  13.754
  193   HD11  LEU  25          HD11      LEU  25  21.394  10.444  13.281
  194   HD12  LEU  25          HD12      LEU  25  20.467   9.740  11.958
  195   HD13  LEU  25          HD13      LEU  25  22.228   9.779  11.878
  196   HD21  LEU  25          HD21      LEU  25  20.350   8.960  14.935
  197   HD22  LEU  25          HD22      LEU  25  20.400   7.210  14.730
  198   HD23  LEU  25          HD23      LEU  25  19.358   8.189  13.698
  199    H    GLU  26           HN       GLU  26  23.205   5.040  12.332
  200    HA   GLU  26           HA       GLU  26  25.272   5.745  14.078
  201    HB2  GLU  26           HB2      GLU  26  24.946   3.106  12.640
  202    HB3  GLU  26           HB1      GLU  26  26.103   3.374  13.933
  203    HG2  GLU  26           HG2      GLU  26  24.112   4.061  15.360
  204    HG3  GLU  26           HG1      GLU  26  23.103   3.374  14.089
  205    H    ARG  27           HN       ARG  27  25.541   4.826  10.687
  206    HA   ARG  27           HA       ARG  27  28.388   4.975  10.530
  207    HB2  ARG  27           HB2      ARG  27  26.956   3.813   8.833
  208    HB3  ARG  27           HB1      ARG  27  26.395   5.388   8.282
  209    HG2  ARG  27           HG2      ARG  27  28.940   5.854   7.951
  210    HG3  ARG  27           HG1      ARG  27  29.056   4.092   7.948
  211    HD2  ARG  27           HD2      ARG  27  28.802   4.821   5.685
  212    HD3  ARG  27           HD1      ARG  27  27.292   4.055   6.187
  213    HE   ARG  27           HE       ARG  27  27.523   6.966   6.387
  214   HH11  ARG  27          HH11      ARG  27  26.142   4.190   4.751
  215   HH12  ARG  27          HH12      ARG  27  24.897   5.101   3.974
  216   HH21  ARG  27          HH21      ARG  27  25.886   8.178   5.364
  217   HH22  ARG  27          HH22      ARG  27  24.743   7.379   4.339
  218    H    LEU  28           HN       LEU  28  25.878   7.307  10.497
  219    HA   LEU  28           HA       LEU  28  27.421   9.407   9.230
  220    HB2  LEU  28           HB2      LEU  28  24.966   9.326   8.954
  221    HB3  LEU  28           HB1      LEU  28  24.759   9.524  10.682
  222    HG   LEU  28           HG       LEU  28  25.752  11.768  10.527
  223   HD11  LEU  28          HD11      LEU  28  27.154  11.452   8.567
  224   HD12  LEU  28          HD12      LEU  28  26.047  12.804   8.327
  225   HD13  LEU  28          HD13      LEU  28  25.721  11.251   7.559
  226   HD21  LEU  28          HD21      LEU  28  23.421  11.290   8.677
  227   HD22  LEU  28          HD22      LEU  28  23.847  12.826   9.433
  228   HD23  LEU  28          HD23      LEU  28  23.334  11.465  10.428
  229    H    LYS  29           HN       LYS  29  26.611   8.314  12.428
  230    HA   LYS  29           HA       LYS  29  27.540  10.567  13.875
  231    HB2  LYS  29           HB2      LYS  29  27.436   7.669  14.738
  232    HB3  LYS  29           HB1      LYS  29  27.614   9.051  15.806
  233    HG2  LYS  29           HG2      LYS  29  25.215   8.508  14.068
  234    HG3  LYS  29           HG1      LYS  29  25.333   8.136  15.787
  235    HD2  LYS  29           HD2      LYS  29  25.689  10.534  16.251
  236    HD3  LYS  29           HD1      LYS  29  25.500  10.875  14.529
  237    HE2  LYS  29           HE2      LYS  29  23.234   9.982  14.590
  238    HE3  LYS  29           HE1      LYS  29  23.418   9.602  16.300
  239    HZ1  LYS  29           HZ1      LYS  29  23.701  11.973  16.737
  240    HZ2  LYS  29           HZ2      LYS  29  22.215  11.655  16.001
  241    HZ3  LYS  29           HZ3      LYS  29  23.475  12.310  15.095
  242    H    SER  30           HN       SER  30  29.068   7.515  12.870
  243    HA   SER  30           HA       SER  30  31.581   7.999  14.006
  244    HB2  SER  30           HB2      SER  30  30.904   6.384  11.534
  245    HB3  SER  30           HB1      SER  30  32.349   6.217  12.533
  246    HG   SER  30           HG       SER  30  31.262   4.992  13.819
  247    H    GLU  31           HN       GLU  31  30.151   8.839  10.901
  248    HA   GLU  31           HA       GLU  31  32.403   9.790   9.565
  249    HB2  GLU  31           HB2      GLU  31  30.148   9.450   8.560
  250    HB3  GLU  31           HB1      GLU  31  29.584  10.877   9.414
  251    HG2  GLU  31           HG2      GLU  31  30.049  11.427   7.128
  252    HG3  GLU  31           HG1      GLU  31  31.216  12.234   8.175
  253    H    ARG  32           HN       ARG  32  30.198  11.420  11.807
  254    HA   ARG  32           HA       ARG  32  31.398  13.973  11.657
  255    HB2  ARG  32           HB2      ARG  32  29.172  13.699  12.595
  256    HB3  ARG  32           HB1      ARG  32  29.803  12.687  13.884
  257    HG2  ARG  32           HG2      ARG  32  31.076  14.595  14.743
  258    HG3  ARG  32           HG1      ARG  32  30.407  15.606  13.461
  259    HD2  ARG  32           HD2      ARG  32  28.169  15.263  14.325
  260    HD3  ARG  32           HD1      ARG  32  28.787  14.163  15.556
  261    HE   ARG  32           HE       ARG  32  30.158  16.516  15.909
  262   HH11  ARG  32          HH11      ARG  32  26.781  15.527  15.992
  263   HH12  ARG  32          HH12      ARG  32  26.327  16.747  17.130
  264   HH21  ARG  32          HH21      ARG  32  29.543  18.125  17.433
  265   HH22  ARG  32          HH22      ARG  32  27.897  18.219  17.953
  266    H    HIS  33           HN       HIS  33  31.780  11.299  13.943
  267    HA   HIS  33           HA       HIS  33  33.658  12.393  15.669
  268    HB2  HIS  33           HB2      HIS  33  32.629  10.304  16.215
  269    HB3  HIS  33           HB1      HIS  33  33.224   9.550  14.743
  270    HD1  HIS  33           HD1      HIS  33  35.748   8.823  14.709
  271    HD2  HIS  33           HD2      HIS  33  34.391  10.295  18.368
  272    HE1  HIS  33           HE1      HIS  33  37.491   8.167  16.395
  273    H    ASP  34           HN       ASP  34  34.126  10.908  12.552
  274    HA   ASP  34           HA       ASP  34  36.996  10.898  12.827
  275    HB2  ASP  34           HB2      ASP  34  35.173   9.895  10.657
  276    HB3  ASP  34           HB1      ASP  34  36.914   9.988  10.445
  277    H    HIS  35           HN       HIS  35  34.839  13.248  11.908
  278    HA   HIS  35           HA       HIS  35  35.885  14.408   9.625
  279    HB2  HIS  35           HB2      HIS  35  34.811  16.427  10.149
  280    HB3  HIS  35           HB1      HIS  35  33.865  15.258  11.049
  281    HD2  HIS  35           HD2      HIS  35  34.282  15.405  13.913
  282    HE1  HIS  35           HE1      HIS  35  36.121  19.215  13.757
  283    HE2  HIS  35           HE2      HIS  35  34.921  17.551  15.197
  284    H    ASP  36           HN       ASP  36  37.248  14.656  12.888
  285    HA   ASP  36           HA       ASP  36  39.209  16.597  12.104
  286    HB2  ASP  36           HB2      ASP  36  40.178  16.302  14.318
  287    HB3  ASP  36           HB1      ASP  36  38.430  16.431  14.454
  288    H    LYS  37           HN       LYS  37  39.064  13.137  12.353
  289    HA   LYS  37           HA       LYS  37  41.840  12.583  12.059
  290    HB2  LYS  37           HB2      LYS  37  40.348  10.877  12.936
  291    HB3  LYS  37           HB1      LYS  37  39.416  10.868  11.442
  292    HG2  LYS  37           HG2      LYS  37  41.547  10.124  10.297
  293    HG3  LYS  37           HG1      LYS  37  42.190   9.845  11.917
  294    HD2  LYS  37           HD2      LYS  37  40.376   8.314  12.399
  295    HD3  LYS  37           HD1      LYS  37  39.656   8.635  10.820
  296    HE2  LYS  37           HE2      LYS  37  41.742   7.763   9.779
  297    HE3  LYS  37           HE1      LYS  37  42.301   7.311  11.387
  298    HZ1  LYS  37           HZ1      LYS  37  40.303   5.918  11.599
  299    HZ2  LYS  37           HZ2      LYS  37  41.305   5.431  10.328
  300    HZ3  LYS  37           HZ3      LYS  37  39.888   6.286  10.000
  301    H    LYS  38           HN       LYS  38  39.175  12.876   9.781
  302    HA   LYS  38           HA       LYS  38  40.636  12.120   7.467
  303    HB2  LYS  38           HB2      LYS  38  38.155  12.204   7.502
  304    HB3  LYS  38           HB1      LYS  38  38.225  13.960   7.632
  305    HG2  LYS  38           HG2      LYS  38  39.261  14.101   5.449
  306    HG3  LYS  38           HG1      LYS  38  39.277  12.342   5.327
  307    HD2  LYS  38           HD2      LYS  38  36.825  12.329   5.453
  308    HD3  LYS  38           HD1      LYS  38  36.830  14.092   5.531
  309    HE2  LYS  38           HE2      LYS  38  37.877  14.198   3.336
  310    HE3  LYS  38           HE1      LYS  38  37.931  12.439   3.262
  311    HZ1  LYS  38           HZ1      LYS  38  35.471  14.076   3.418
  312    HZ2  LYS  38           HZ2      LYS  38  35.531  12.393   3.312
  313    HZ3  LYS  38           HZ3      LYS  38  36.068  13.343   2.016
  314    H    GLU  39           HN       GLU  39  40.210  15.097   9.167
  315    HA   GLU  39           HA       GLU  39  41.403  16.823   7.255
  316    HB2  GLU  39           HB2      GLU  39  39.963  17.676   9.049
  317    HB3  GLU  39           HB1      GLU  39  41.119  17.134  10.256
  318    HG2  GLU  39           HG2      GLU  39  42.721  18.745   9.519
  319    HG3  GLU  39           HG1      GLU  39  41.692  19.208   8.164
  320    H    ALA  40           HN       ALA  40  42.658  15.282  10.207
  321    HA   ALA  40           HA       ALA  40  45.162  14.644   9.160
  322    HB1  ALA  40           HB1      ALA  40  46.611  16.266  10.286
  323    HB2  ALA  40           HB2      ALA  40  45.196  17.132  10.887
  324    HB3  ALA  40           HB3      ALA  40  45.530  17.083   9.157
  325    H    GLU  41           HN       GLU  41  46.724  14.875  11.537
  326    HA   GLU  41           HA       GLU  41  45.462  12.871  13.171
  327    HB2  GLU  41           HB2      GLU  41  48.092  14.345  13.511
  328    HB3  GLU  41           HB1      GLU  41  47.561  12.990  14.490
  329    HG2  GLU  41           HG2      GLU  41  47.663  11.498  12.650
  330    HG3  GLU  41           HG1      GLU  41  47.906  12.823  11.512
  331    H    ARG  42           HN       ARG  42  46.311  16.271  13.403
  332    HA   ARG  42           HA       ARG  42  44.206  16.909  15.050
  333    HB2  ARG  42           HB2      ARG  42  45.639  15.853  16.791
  334    HB3  ARG  42           HB1      ARG  42  46.946  16.937  16.343
  335    HG2  ARG  42           HG2      ARG  42  45.721  18.837  17.123
  336    HG3  ARG  42           HG1      ARG  42  44.288  17.846  17.401
  337    HD2  ARG  42           HD2      ARG  42  45.533  18.346  19.477
  338    HD3  ARG  42           HD1      ARG  42  45.413  16.622  19.143
  339    HE   ARG  42           HE       ARG  42  47.736  16.786  18.287
  340   HH11  ARG  42          HH11      ARG  42  46.570  19.198  20.579
  341   HH12  ARG  42          HH12      ARG  42  48.146  19.533  21.206
  342   HH21  ARG  42          HH21      ARG  42  49.816  17.246  19.140
  343   HH22  ARG  42          HH22      ARG  42  49.979  18.432  20.389
  344    H    LYS  43           HN       LYS  43  43.813  18.798  14.336
  345    HA   LYS  43           HA       LYS  43  45.467  20.203  12.549
  346    HB2  LYS  43           HB2      LYS  43  43.803  21.901  12.431
  347    HB3  LYS  43           HB1      LYS  43  42.973  20.363  12.580
  348    HG2  LYS  43           HG2      LYS  43  42.563  20.791  14.933
  349    HG3  LYS  43           HG1      LYS  43  43.457  22.308  14.826
  350    HD2  LYS  43           HD2      LYS  43  41.808  23.045  13.086
  351    HD3  LYS  43           HD1      LYS  43  40.867  21.598  13.459
  352    HE2  LYS  43           HE2      LYS  43  39.941  23.398  14.712
  353    HE3  LYS  43           HE1      LYS  43  40.806  22.354  15.837
  354    HZ1  LYS  43           HZ1      LYS  43  41.490  24.457  16.449
  355    HZ2  LYS  43           HZ2      LYS  43  41.517  25.033  14.870
  356    HZ3  LYS  43           HZ3      LYS  43  42.750  24.012  15.398
  357    H    ALA  44           HN       ALA  44  45.469  20.228  15.916
  358    HA   ALA  44           HA       ALA  44  46.246  22.805  16.597
  359    HB1  ALA  44           HB1      ALA  44  47.338  20.255  17.804
  360    HB2  ALA  44           HB2      ALA  44  45.851  21.070  18.293
  361    HB3  ALA  44           HB3      ALA  44  47.406  21.859  18.525
  362    H    LEU  45           HN       LEU  45  48.182  20.213  15.190
  363    HA   LEU  45           HA       LEU  45  50.664  21.594  15.389
  364    HB2  LEU  45           HB2      LEU  45  49.842  19.315  13.585
  365    HB3  LEU  45           HB1      LEU  45  51.484  19.872  13.827
  366    HG   LEU  45           HG       LEU  45  49.725  18.647  15.952
  367   HD11  LEU  45          HD11      LEU  45  52.098  17.531  14.470
  368   HD12  LEU  45          HD12      LEU  45  50.419  17.024  14.282
  369   HD13  LEU  45          HD13      LEU  45  51.259  16.751  15.809
  370   HD21  LEU  45          HD21      LEU  45  51.277  20.263  16.901
  371   HD22  LEU  45          HD22      LEU  45  52.616  19.517  16.028
  372   HD23  LEU  45          HD23      LEU  45  51.785  18.623  17.300
  373    H    GLU  46           HN       GLU  46  48.144  21.361  12.921
  374    HA   GLU  46           HA       GLU  46  49.642  22.723  10.920
  375    HB2  GLU  46           HB2      GLU  46  46.698  22.064  11.190
  376    HB3  GLU  46           HB1      GLU  46  47.317  23.041   9.877
  377    HG2  GLU  46           HG2      GLU  46  47.012  20.687   9.254
  378    HG3  GLU  46           HG1      GLU  46  48.672  21.240   9.071
  379    H    ASP  47           HN       ASP  47  47.262  23.672  13.342
  380    HA   ASP  47           HA       ASP  47  47.004  26.379  12.573
  381    HB2  ASP  47           HB2      ASP  47  46.735  25.132  15.322
  382    HB3  ASP  47           HB1      ASP  47  46.280  26.783  14.935
  383    H    LYS  48           HN       LYS  48  49.124  24.739  14.797
  384    HA   LYS  48           HA       LYS  48  50.619  26.895  15.749
  385    HB2  LYS  48           HB2      LYS  48  50.835  24.543  16.597
  386    HB3  LYS  48           HB1      LYS  48  51.739  24.125  15.153
  387    HG2  LYS  48           HG2      LYS  48  53.482  25.691  15.791
  388    HG3  LYS  48           HG1      LYS  48  52.552  26.149  17.219
  389    HD2  LYS  48           HD2      LYS  48  52.634  23.745  17.931
  390    HD3  LYS  48           HD1      LYS  48  53.746  23.452  16.596
  391    HE2  LYS  48           HE2      LYS  48  54.175  25.345  18.901
  392    HE3  LYS  48           HE1      LYS  48  54.970  23.789  18.666
  393    HZ1  LYS  48           HZ1      LYS  48  56.413  25.546  17.967
  394    HZ2  LYS  48           HZ2      LYS  48  55.234  26.184  16.946
  395    HZ3  LYS  48           HZ3      LYS  48  55.923  24.683  16.599
  396    H    LEU  49           HN       LEU  49  51.367  24.833  12.901
  397    HA   LEU  49           HA       LEU  49  52.183  25.295  10.882
  398    HB2  LEU  49           HB2      LEU  49  50.558  27.145  11.030
  399    HB3  LEU  49           HB1      LEU  49  51.827  28.177  11.648
  400    HG   LEU  49           HG       LEU  49  53.018  28.006   9.521
  401   HD11  LEU  49          HD11      LEU  49  50.658  26.335   8.657
  402   HD12  LEU  49          HD12      LEU  49  52.318  25.768   8.847
  403   HD13  LEU  49          HD13      LEU  49  51.924  26.945   7.595
  404   HD21  LEU  49          HD21      LEU  49  51.421  29.776   9.877
  405   HD22  LEU  49          HD22      LEU  49  50.120  28.736   9.305
  406   HD23  LEU  49          HD23      LEU  49  51.389  29.257   8.190
  407    H    ALA  50           HN       ALA  50  53.880  25.891  13.606
  408    HA   ALA  50           HA       ALA  50  56.289  26.495  12.057
  409    HB1  ALA  50           HB1      ALA  50  57.123  27.928  13.843
  410    HB2  ALA  50           HB2      ALA  50  55.627  27.684  14.747
  411    HB3  ALA  50           HB3      ALA  50  55.596  28.542  13.206
  412    H    ASP  51           HN       ASP  51  58.042  25.312  12.550
  413    HA   ASP  51           HA       ASP  51  58.216  23.868  15.033
  414    HB2  ASP  51           HB2      ASP  51  58.365  21.652  14.112
  415    HB3  ASP  51           HB1      ASP  51  56.859  22.354  13.543
  416    H    TYR  52           HN       TYR  52  60.311  23.041  15.401
  417    HA   TYR  52           HA       TYR  52  62.305  24.457  13.792
  418    HB2  TYR  52           HB2      TYR  52  62.557  23.332  16.593
  419    HB3  TYR  52           HB1      TYR  52  63.795  24.248  15.738
  420    HD1  TYR  52           HD1      TYR  52  61.094  24.455  17.998
  421    HD2  TYR  52           HD2      TYR  52  63.062  26.634  14.927
  422    HE1  TYR  52           HE1      TYR  52  60.115  26.537  18.854
  423    HE2  TYR  52           HE2      TYR  52  62.092  28.725  15.775
  424    HH   TYR  52           HH       TYR  52  60.091  29.410  17.094
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -3.023  -6.205  18.890
    2    H2   GLY   1           HT2      GLY   1  -1.699  -6.857  19.716
    3    H3   GLY   1           HT3      GLY   1  -2.806  -7.882  18.953
    4    HA2  GLY   1           HA1      GLY   1  -1.002  -5.962  17.606
    5    HA3  GLY   1           HA2      GLY   1  -0.787  -7.705  17.669
    6    H    SER   2           HN       SER   2  -2.316  -9.053  16.584
    7    HA   SER   2           HA       SER   2  -3.653  -9.697  14.879
    8    HB2  SER   2           HB2      SER   2  -4.704  -6.859  14.957
    9    HB3  SER   2           HB1      SER   2  -5.454  -8.208  14.105
   10    HG   SER   2           HG       SER   2  -6.230  -8.932  15.925
   11    H    VAL   3           HN       VAL   3  -1.060  -8.034  14.561
   12    HA   VAL   3           HA       VAL   3  -1.231  -6.983  11.880
   13    HB   VAL   3           HB       VAL   3   1.297  -7.586  13.430
   14   HG11  VAL   3          HG11      VAL   3   2.178  -5.691  12.124
   15   HG12  VAL   3          HG12      VAL   3   0.640  -5.585  11.269
   16   HG13  VAL   3          HG13      VAL   3   1.645  -7.026  11.102
   17   HG21  VAL   3          HG21      VAL   3  -0.397  -5.094  13.562
   18   HG22  VAL   3          HG22      VAL   3   1.182  -5.314  14.316
   19   HG23  VAL   3          HG23      VAL   3  -0.195  -6.274  14.856
   20    H    GLU   4           HN       GLU   4  -2.177  -9.345  11.422
   21    HA   GLU   4           HA       GLU   4  -0.066 -10.872  10.169
   22    HB2  GLU   4           HB2      GLU   4  -1.104 -13.027  11.107
   23    HB3  GLU   4           HB1      GLU   4  -0.086 -12.083  12.186
   24    HG2  GLU   4           HG2      GLU   4  -2.049 -11.144  13.259
   25    HG3  GLU   4           HG1      GLU   4  -3.097 -12.009  12.138
   26    H    LYS   5           HN       LYS   5  -3.540 -10.836  10.894
   27    HA   LYS   5           HA       LYS   5  -4.289 -12.097   8.460
   28    HB2  LYS   5           HB2      LYS   5  -5.686 -12.083  10.511
   29    HB3  LYS   5           HB1      LYS   5  -5.923 -10.356  10.314
   30    HG2  LYS   5           HG2      LYS   5  -7.076 -10.745   8.206
   31    HG3  LYS   5           HG1      LYS   5  -6.827 -12.482   8.390
   32    HD2  LYS   5           HD2      LYS   5  -8.151 -12.479  10.425
   33    HD3  LYS   5           HD1      LYS   5  -8.355 -10.731  10.312
   34    HE2  LYS   5           HE2      LYS   5  -9.357 -12.785   8.346
   35    HE3  LYS   5           HE1      LYS   5 -10.336 -11.883   9.504
   36    HZ1  LYS   5           HZ1      LYS   5  -8.811 -10.722   7.229
   37    HZ2  LYS   5           HZ2      LYS   5  -9.699  -9.833   8.356
   38    HZ3  LYS   5           HZ3      LYS   5 -10.488 -10.909   7.320
   39    H    LEU   6           HN       LEU   6  -3.712  -8.876   9.502
   40    HA   LEU   6           HA       LEU   6  -4.803  -7.687   7.118
   41    HB2  LEU   6           HB2      LEU   6  -3.180  -6.371   9.326
   42    HB3  LEU   6           HB1      LEU   6  -4.031  -5.543   8.038
   43    HG   LEU   6           HG       LEU   6  -5.317  -7.195  10.208
   44   HD11  LEU   6          HD11      LEU   6  -4.323  -5.162  11.092
   45   HD12  LEU   6          HD12      LEU   6  -6.084  -5.051  11.091
   46   HD13  LEU   6          HD13      LEU   6  -5.147  -4.209   9.858
   47   HD21  LEU   6          HD21      LEU   6  -6.518  -5.444   8.067
   48   HD22  LEU   6          HD22      LEU   6  -7.405  -6.202   9.387
   49   HD23  LEU   6          HD23      LEU   6  -6.626  -7.201   8.161
   50    H    THR   7           HN       THR   7  -1.438  -7.396   8.489
   51    HA   THR   7           HA       THR   7  -0.346  -7.986   5.961
   52    HB   THR   7           HB       THR   7   1.060  -5.838   6.134
   53    HG1  THR   7           HG1      THR   7   0.166  -5.286   8.242
   54   HG21  THR   7          HG21      THR   7  -1.855  -5.599   5.380
   55   HG22  THR   7          HG22      THR   7  -0.572  -6.226   4.348
   56   HG23  THR   7          HG23      THR   7  -0.556  -4.535   4.842
   57    H    ALA   8           HN       ALA   8   0.927  -9.632   7.118
   58    HA   ALA   8           HA       ALA   8   2.302  -8.924   9.547
   59    HB1  ALA   8           HB1      ALA   8   2.707 -11.371   7.801
   60    HB2  ALA   8           HB2      ALA   8   1.553 -11.261   9.131
   61    HB3  ALA   8           HB3      ALA   8   3.279 -11.149   9.451
   62    H    ASP   9           HN       ASP   9   2.996  -9.259   6.191
   63    HA   ASP   9           HA       ASP   9   5.813  -9.106   6.263
   64    HB2  ASP   9           HB2      ASP   9   5.750  -8.656   3.918
   65    HB3  ASP   9           HB1      ASP   9   4.453  -9.791   4.261
   66    H    ALA  10           HN       ALA  10   3.374  -6.675   6.141
   67    HA   ALA  10           HA       ALA  10   4.939  -4.398   5.694
   68    HB1  ALA  10           HB1      ALA  10   2.391  -4.523   7.317
   69    HB2  ALA  10           HB2      ALA  10   2.495  -4.317   5.563
   70    HB3  ALA  10           HB3      ALA  10   3.122  -3.073   6.636
   71    H    GLU  11           HN       GLU  11   4.545  -6.270   8.607
   72    HA   GLU  11           HA       GLU  11   5.672  -4.175  10.271
   73    HB2  GLU  11           HB2      GLU  11   3.927  -5.660  11.198
   74    HB3  GLU  11           HB1      GLU  11   4.961  -7.056  10.926
   75    HG2  GLU  11           HG2      GLU  11   6.551  -6.235  12.539
   76    HG3  GLU  11           HG1      GLU  11   5.605  -4.762  12.759
   77    H    LEU  12           HN       LEU  12   6.624  -6.810   8.380
   78    HA   LEU  12           HA       LEU  12   9.123  -7.363   9.710
   79    HB2  LEU  12           HB2      LEU  12   8.468  -8.058   6.852
   80    HB3  LEU  12           HB1      LEU  12   9.596  -8.858   7.922
   81    HG   LEU  12           HG       LEU  12   6.591  -9.035   7.939
   82   HD11  LEU  12          HD11      LEU  12   8.734 -11.098   7.658
   83   HD12  LEU  12          HD12      LEU  12   7.712 -10.446   6.374
   84   HD13  LEU  12          HD13      LEU  12   6.994 -11.382   7.682
   85   HD21  LEU  12          HD21      LEU  12   6.778 -10.451   9.905
   86   HD22  LEU  12          HD22      LEU  12   7.267  -8.791  10.229
   87   HD23  LEU  12          HD23      LEU  12   8.495 -10.052  10.035
   88    H    GLN  13           HN       GLN  13   8.045  -5.702   6.794
   89    HA   GLN  13           HA       GLN  13  10.581  -4.720   6.023
   90    HB2  GLN  13           HB2      GLN  13   7.849  -3.552   5.450
   91    HB3  GLN  13           HB1      GLN  13   9.331  -3.181   4.584
   92    HG2  GLN  13           HG2      GLN  13   7.907  -5.835   4.649
   93    HG3  GLN  13           HG1      GLN  13   7.963  -4.702   3.300
   94   HE21  GLN  13          HE21      GLN  13   9.704  -7.081   5.120
   95   HE22  GLN  13          HE22      GLN  13  11.030  -7.248   4.024
   96    H    ARG  14           HN       ARG  14   8.113  -3.635   8.203
   97    HA   ARG  14           HA       ARG  14   9.012  -1.004   8.652
   98    HB2  ARG  14           HB2      ARG  14   6.805  -1.848   9.426
   99    HB3  ARG  14           HB1      ARG  14   7.623  -2.848  10.619
  100    HG2  ARG  14           HG2      ARG  14   8.380  -0.914  11.804
  101    HG3  ARG  14           HG1      ARG  14   7.771   0.154  10.534
  102    HD2  ARG  14           HD2      ARG  14   6.094  -1.672  12.249
  103    HD3  ARG  14           HD1      ARG  14   6.251   0.071  12.459
  104    HE   ARG  14           HE       ARG  14   5.339   0.141  10.066
  105   HH11  ARG  14          HH11      ARG  14   4.395  -2.240  12.467
  106   HH12  ARG  14          HH12      ARG  14   2.829  -2.497  11.781
  107   HH21  ARG  14          HH21      ARG  14   3.268  -0.221   9.135
  108   HH22  ARG  14          HH22      ARG  14   2.186  -1.351   9.873
  109    H    LEU  15           HN       LEU  15   9.914  -4.097  10.183
  110    HA   LEU  15           HA       LEU  15  11.689  -2.934  12.068
  111    HB2  LEU  15           HB2      LEU  15  11.646  -5.739  10.945
  112    HB3  LEU  15           HB1      LEU  15  12.522  -5.222  12.370
  113    HG   LEU  15           HG       LEU  15   9.529  -5.345  12.055
  114   HD11  LEU  15          HD11      LEU  15   9.650  -7.090  13.743
  115   HD12  LEU  15          HD12      LEU  15  11.408  -6.961  13.760
  116   HD13  LEU  15          HD13      LEU  15  10.580  -7.524  12.308
  117   HD21  LEU  15          HD21      LEU  15  10.120  -3.454  13.453
  118   HD22  LEU  15          HD22      LEU  15  11.201  -4.467  14.408
  119   HD23  LEU  15          HD23      LEU  15   9.461  -4.751  14.449
  120    H    LYS  16           HN       LYS  16  11.920  -4.069   8.822
  121    HA   LYS  16           HA       LYS  16  14.765  -4.058   8.610
  122    HB2  LYS  16           HB2      LYS  16  13.450  -5.229   6.912
  123    HB3  LYS  16           HB1      LYS  16  12.687  -3.722   6.422
  124    HG2  LYS  16           HG2      LYS  16  14.749  -2.884   5.549
  125    HG3  LYS  16           HG1      LYS  16  15.638  -4.256   6.207
  126    HD2  LYS  16           HD2      LYS  16  13.447  -4.509   4.150
  127    HD3  LYS  16           HD1      LYS  16  15.160  -4.381   3.746
  128    HE2  LYS  16           HE2      LYS  16  13.892  -6.542   5.433
  129    HE3  LYS  16           HE1      LYS  16  14.413  -6.711   3.760
  130    HZ1  LYS  16           HZ1      LYS  16  16.056  -7.602   5.281
  131    HZ2  LYS  16           HZ2      LYS  16  16.182  -6.116   6.074
  132    HZ3  LYS  16           HZ3      LYS  16  16.687  -6.262   4.468
  133    H    ASN  17           HN       ASN  17  12.281  -1.657   7.936
  134    HA   ASN  17           HA       ASN  17  14.003   0.414   7.071
  135    HB2  ASN  17           HB2      ASN  17  11.240   0.475   8.305
  136    HB3  ASN  17           HB1      ASN  17  12.113   1.946   7.911
  137   HD21  ASN  17          HD21      ASN  17  10.524   2.511   6.450
  138   HD22  ASN  17          HD22      ASN  17  10.399   1.759   4.895
  139    H    GLU  18           HN       GLU  18  12.786  -0.504  10.239
  140    HA   GLU  18           HA       GLU  18  13.840   1.605  11.735
  141    HB2  GLU  18           HB2      GLU  18  12.226  -0.269  12.446
  142    HB3  GLU  18           HB1      GLU  18  13.663  -1.233  12.737
  143    HG2  GLU  18           HG2      GLU  18  12.999  -0.297  14.805
  144    HG3  GLU  18           HG1      GLU  18  14.451   0.558  14.283
  145    H    ARG  19           HN       ARG  19  15.233  -1.538  10.865
  146    HA   ARG  19           HA       ARG  19  17.721  -1.116  12.159
  147    HB2  ARG  19           HB2      ARG  19  16.957  -2.982   9.905
  148    HB3  ARG  19           HB1      ARG  19  18.548  -2.951  10.639
  149    HG2  ARG  19           HG2      ARG  19  17.558  -3.508  12.806
  150    HG3  ARG  19           HG1      ARG  19  15.966  -3.578  12.046
  151    HD2  ARG  19           HD2      ARG  19  16.621  -5.422  10.681
  152    HD3  ARG  19           HD1      ARG  19  18.305  -5.264  11.182
  153    HE   ARG  19           HE       ARG  19  16.761  -5.668  13.463
  154   HH11  ARG  19          HH11      ARG  19  17.653  -7.442  10.572
  155   HH12  ARG  19          HH12      ARG  19  17.623  -8.986  11.347
  156   HH21  ARG  19          HH21      ARG  19  16.720  -7.713  14.500
  157   HH22  ARG  19          HH22      ARG  19  17.075  -9.143  13.597
  158    H    HIS  20           HN       HIS  20  16.678  -0.724   8.781
  159    HA   HIS  20           HA       HIS  20  19.074   0.086   7.653
  160    HB2  HIS  20           HB2      HIS  20  16.929  -0.417   6.409
  161    HB3  HIS  20           HB1      HIS  20  16.309   1.144   6.920
  162    HD1  HIS  20           HD1      HIS  20  17.888  -0.472   4.181
  163    HD2  HIS  20           HD2      HIS  20  18.117   3.324   5.853
  164    HE1  HIS  20           HE1      HIS  20  18.813   0.995   2.374
  165    H    GLU  21           HN       GLU  21  16.557   2.103   9.143
  166    HA   GLU  21           HA       GLU  21  17.817   4.581   8.794
  167    HB2  GLU  21           HB2      GLU  21  15.412   4.177   9.537
  168    HB3  GLU  21           HB1      GLU  21  16.051   3.891  11.152
  169    HG2  GLU  21           HG2      GLU  21  15.234   6.136  10.966
  170    HG3  GLU  21           HG1      GLU  21  16.988   6.155  11.149
  171    H    GLU  22           HN       GLU  22  18.053   2.268  11.499
  172    HA   GLU  22           HA       GLU  22  19.734   3.939  13.096
  173    HB2  GLU  22           HB2      GLU  22  18.275   2.145  14.042
  174    HB3  GLU  22           HB1      GLU  22  19.287   0.936  13.264
  175    HG2  GLU  22           HG2      GLU  22  19.812   1.108  15.604
  176    HG3  GLU  22           HG1      GLU  22  21.176   1.654  14.633
  177    H    ALA  23           HN       ALA  23  20.255   1.956  10.407
  178    HA   ALA  23           HA       ALA  23  22.999   1.246  11.022
  179    HB1  ALA  23           HB1      ALA  23  21.607  -0.275   9.651
  180    HB2  ALA  23           HB2      ALA  23  23.075   0.227   8.822
  181    HB3  ALA  23           HB3      ALA  23  21.534   0.955   8.387
  182    H    GLU  24           HN       GLU  24  21.319   3.440   8.818
  183    HA   GLU  24           HA       GLU  24  23.703   4.583   7.788
  184    HB2  GLU  24           HB2      GLU  24  20.916   5.741   7.869
  185    HB3  GLU  24           HB1      GLU  24  22.248   6.345   6.894
  186    HG2  GLU  24           HG2      GLU  24  22.321   4.072   5.807
  187    HG3  GLU  24           HG1      GLU  24  20.794   3.736   6.623
  188    H    LEU  25           HN       LEU  25  21.496   5.462  10.384
  189    HA   LEU  25           HA       LEU  25  22.621   7.871  11.175
  190    HB2  LEU  25           HB2      LEU  25  20.545   6.941  12.104
  191    HB3  LEU  25           HB1      LEU  25  21.467   5.708  12.936
  192    HG   LEU  25           HG       LEU  25  22.558   7.456  14.293
  193   HD11  LEU  25          HD11      LEU  25  22.411   9.321  12.748
  194   HD12  LEU  25          HD12      LEU  25  21.645   9.732  14.282
  195   HD13  LEU  25          HD13      LEU  25  20.652   9.319  12.883
  196   HD21  LEU  25          HD21      LEU  25  20.610   7.993  15.667
  197   HD22  LEU  25          HD22      LEU  25  20.578   6.315  15.128
  198   HD23  LEU  25          HD23      LEU  25  19.545   7.512  14.347
  199    H    GLU  26           HN       GLU  26  23.652   4.576  11.886
  200    HA   GLU  26           HA       GLU  26  25.651   5.198  13.766
  201    HB2  GLU  26           HB2      GLU  26  24.749   2.941  13.478
  202    HB3  GLU  26           HB1      GLU  26  25.416   2.862  11.855
  203    HG2  GLU  26           HG2      GLU  26  27.414   3.437  13.897
  204    HG3  GLU  26           HG1      GLU  26  26.589   1.897  14.133
  205    H    ARG  27           HN       ARG  27  25.726   4.847  10.248
  206    HA   ARG  27           HA       ARG  27  28.522   5.298   9.983
  207    HB2  ARG  27           HB2      ARG  27  26.324   5.700   7.944
  208    HB3  ARG  27           HB1      ARG  27  28.044   5.643   7.596
  209    HG2  ARG  27           HG2      ARG  27  26.357   3.385   8.657
  210    HG3  ARG  27           HG1      ARG  27  27.008   3.544   7.025
  211    HD2  ARG  27           HD2      ARG  27  29.299   3.539   8.025
  212    HD3  ARG  27           HD1      ARG  27  28.560   3.174   9.583
  213    HE   ARG  27           HE       ARG  27  27.897   1.381   7.406
  214   HH11  ARG  27          HH11      ARG  27  29.903   1.967  10.226
  215   HH12  ARG  27          HH12      ARG  27  30.413   0.321  10.370
  216   HH21  ARG  27          HH21      ARG  27  28.552  -0.813   7.618
  217   HH22  ARG  27          HH22      ARG  27  29.627  -1.269   8.896
  218    H    LEU  28           HN       LEU  28  25.704   7.351  10.010
  219    HA   LEU  28           HA       LEU  28  26.881   9.763   9.147
  220    HB2  LEU  28           HB2      LEU  28  24.436   9.468   9.362
  221    HB3  LEU  28           HB1      LEU  28  24.593   9.388  11.105
  222    HG   LEU  28           HG       LEU  28  25.419  11.730  11.089
  223   HD11  LEU  28          HD11      LEU  28  24.646  11.620   8.178
  224   HD12  LEU  28          HD12      LEU  28  26.277  11.819   8.821
  225   HD13  LEU  28          HD13      LEU  28  25.069  13.076   9.078
  226   HD21  LEU  28          HD21      LEU  28  23.091  11.225  11.567
  227   HD22  LEU  28          HD22      LEU  28  22.715  11.255   9.844
  228   HD23  LEU  28          HD23      LEU  28  23.225  12.732  10.659
  229    H    LYS  29           HN       LYS  29  26.477   8.404  12.371
  230    HA   LYS  29           HA       LYS  29  27.820  10.466  13.769
  231    HB2  LYS  29           HB2      LYS  29  27.472   7.548  14.502
  232    HB3  LYS  29           HB1      LYS  29  28.069   8.789  15.595
  233    HG2  LYS  29           HG2      LYS  29  25.968   9.964  15.487
  234    HG3  LYS  29           HG1      LYS  29  25.363   8.831  14.279
  235    HD2  LYS  29           HD2      LYS  29  25.472   7.018  15.893
  236    HD3  LYS  29           HD1      LYS  29  26.159   8.109  17.099
  237    HE2  LYS  29           HE2      LYS  29  24.133   9.432  17.102
  238    HE3  LYS  29           HE1      LYS  29  23.450   8.442  15.817
  239    HZ1  LYS  29           HZ1      LYS  29  23.452   6.552  17.312
  240    HZ2  LYS  29           HZ2      LYS  29  22.585   7.831  17.988
  241    HZ3  LYS  29           HZ3      LYS  29  24.141   7.485  18.540
  242    H    SER  30           HN       SER  30  28.973   7.277  12.660
  243    HA   SER  30           HA       SER  30  31.595   7.325  13.186
  244    HB2  SER  30           HB2      SER  30  30.530   5.507  11.907
  245    HB3  SER  30           HB1      SER  30  30.425   6.557  10.493
  246    HG   SER  30           HG       SER  30  32.927   6.648  11.057
  247    H    GLU  31           HN       GLU  31  30.188   9.040  10.379
  248    HA   GLU  31           HA       GLU  31  32.516  10.040   9.271
  249    HB2  GLU  31           HB2      GLU  31  29.778  11.293   9.405
  250    HB3  GLU  31           HB1      GLU  31  31.087  11.930   8.421
  251    HG2  GLU  31           HG2      GLU  31  29.827   9.210   8.164
  252    HG3  GLU  31           HG1      GLU  31  29.580  10.587   7.090
  253    H    ARG  32           HN       ARG  32  30.535  11.553  11.793
  254    HA   ARG  32           HA       ARG  32  32.102  13.863  12.132
  255    HB2  ARG  32           HB2      ARG  32  29.827  13.638  13.032
  256    HB3  ARG  32           HB1      ARG  32  30.386  12.420  14.163
  257    HG2  ARG  32           HG2      ARG  32  30.102  14.528  15.299
  258    HG3  ARG  32           HG1      ARG  32  31.814  14.109  15.248
  259    HD2  ARG  32           HD2      ARG  32  32.178  15.655  13.421
  260    HD3  ARG  32           HD1      ARG  32  30.451  15.997  13.326
  261    HE   ARG  32           HE       ARG  32  31.235  16.605  15.916
  262   HH11  ARG  32          HH11      ARG  32  32.026  17.720  12.688
  263   HH12  ARG  32          HH12      ARG  32  32.340  19.346  13.184
  264   HH21  ARG  32          HH21      ARG  32  31.658  18.764  16.581
  265   HH22  ARG  32          HH22      ARG  32  32.138  19.943  15.408
  266    H    HIS  33           HN       HIS  33  32.406  10.640  13.468
  267    HA   HIS  33           HA       HIS  33  34.435  11.327  15.381
  268    HB2  HIS  33           HB2      HIS  33  33.415   8.697  14.327
  269    HB3  HIS  33           HB1      HIS  33  34.767   8.794  15.448
  270    HD1  HIS  33           HD1      HIS  33  31.054   9.415  15.244
  271    HD2  HIS  33           HD2      HIS  33  34.086   9.290  18.085
  272    HE1  HIS  33           HE1      HIS  33  29.892   9.430  17.466
  273    H    ASP  34           HN       ASP  34  34.400   9.858  12.178
  274    HA   ASP  34           HA       ASP  34  37.195   9.406  12.011
  275    HB2  ASP  34           HB2      ASP  34  35.072   9.588   9.866
  276    HB3  ASP  34           HB1      ASP  34  36.765   9.300   9.499
  277    H    HIS  35           HN       HIS  35  35.549  12.220  12.107
  278    HA   HIS  35           HA       HIS  35  37.345  13.718  10.332
  279    HB2  HIS  35           HB2      HIS  35  34.860  14.241  10.387
  280    HB3  HIS  35           HB1      HIS  35  35.080  14.819  12.034
  281    HD2  HIS  35           HD2      HIS  35  35.796  17.447  12.208
  282    HE1  HIS  35           HE1      HIS  35  36.769  18.035   8.121
  283    HE2  HIS  35           HE2      HIS  35  36.171  19.145  10.290
  284    H    ASP  36           HN       ASP  36  37.040  12.705  13.494
  285    HA   ASP  36           HA       ASP  36  38.756  14.816  14.602
  286    HB2  ASP  36           HB2      ASP  36  36.886  14.300  16.010
  287    HB3  ASP  36           HB1      ASP  36  37.193  12.570  15.910
  288    H    LYS  37           HN       LYS  37  38.810  11.609  13.447
  289    HA   LYS  37           HA       LYS  37  41.112  10.705  14.880
  290    HB2  LYS  37           HB2      LYS  37  39.882   9.545  12.380
  291    HB3  LYS  37           HB1      LYS  37  40.966   8.728  13.495
  292    HG2  LYS  37           HG2      LYS  37  38.152   9.633  14.086
  293    HG3  LYS  37           HG1      LYS  37  38.671   7.978  13.772
  294    HD2  LYS  37           HD2      LYS  37  40.080   8.053  15.780
  295    HD3  LYS  37           HD1      LYS  37  39.547   9.708  16.085
  296    HE2  LYS  37           HE2      LYS  37  38.287   8.180  17.473
  297    HE3  LYS  37           HE1      LYS  37  37.226   8.896  16.265
  298    HZ1  LYS  37           HZ1      LYS  37  38.435   6.187  16.124
  299    HZ2  LYS  37           HZ2      LYS  37  37.423   6.866  14.955
  300    HZ3  LYS  37           HZ3      LYS  37  36.823   6.531  16.495
  301    H    LYS  38           HN       LYS  38  40.469  12.467  12.005
  302    HA   LYS  38           HA       LYS  38  43.026  11.958  10.804
  303    HB2  LYS  38           HB2      LYS  38  40.972  14.081  10.131
  304    HB3  LYS  38           HB1      LYS  38  42.392  13.679   9.178
  305    HG2  LYS  38           HG2      LYS  38  40.070  11.848   9.724
  306    HG3  LYS  38           HG1      LYS  38  40.391  12.709   8.218
  307    HD2  LYS  38           HD2      LYS  38  42.568  11.499   8.073
  308    HD3  LYS  38           HD1      LYS  38  42.076  10.549   9.477
  309    HE2  LYS  38           HE2      LYS  38  40.693  10.676   6.804
  310    HE3  LYS  38           HE1      LYS  38  41.611   9.318   7.447
  311    HZ1  LYS  38           HZ1      LYS  38  39.070  10.396   8.539
  312    HZ2  LYS  38           HZ2      LYS  38  39.971   9.150   9.238
  313    HZ3  LYS  38           HZ3      LYS  38  39.272   8.931   7.720
  314    H    GLU  39           HN       GLU  39  43.994  12.500  12.906
  315    HA   GLU  39           HA       GLU  39  44.401  15.355  13.366
  316    HB2  GLU  39           HB2      GLU  39  45.539  14.763  15.392
  317    HB3  GLU  39           HB1      GLU  39  44.099  13.766  15.286
  318    HG2  GLU  39           HG2      GLU  39  45.478  11.866  14.533
  319    HG3  GLU  39           HG1      GLU  39  46.909  12.888  14.635
  320    H    ALA  40           HN       ALA  40  46.850  15.858  14.028
  321    HA   ALA  40           HA       ALA  40  48.982  16.238  13.376
  322    HB1  ALA  40           HB1      ALA  40  48.781  13.521  12.096
  323    HB2  ALA  40           HB2      ALA  40  49.293  13.866  13.748
  324    HB3  ALA  40           HB3      ALA  40  50.270  14.419  12.390
  325    H    GLU  41           HN       GLU  41  48.359  18.078  11.859
  326    HA   GLU  41           HA       GLU  41  48.389  19.172   9.917
  327    HB2  GLU  41           HB2      GLU  41  49.635  16.648   8.805
  328    HB3  GLU  41           HB1      GLU  41  49.512  18.170   7.938
  329    HG2  GLU  41           HG2      GLU  41  51.079  17.654  10.450
  330    HG3  GLU  41           HG1      GLU  41  51.729  17.884   8.829
  331    H    ARG  42           HN       ARG  42  46.125  19.202   9.976
  332    HA   ARG  42           HA       ARG  42  44.841  18.187   7.748
  333    HB2  ARG  42           HB2      ARG  42  45.025  16.141   9.286
  334    HB3  ARG  42           HB1      ARG  42  43.920  16.992  10.353
  335    HG2  ARG  42           HG2      ARG  42  42.605  15.530   9.083
  336    HG3  ARG  42           HG1      ARG  42  42.339  17.132   8.404
  337    HD2  ARG  42           HD2      ARG  42  43.721  16.686   6.546
  338    HD3  ARG  42           HD1      ARG  42  44.379  15.230   7.291
  339    HE   ARG  42           HE       ARG  42  41.533  15.387   6.576
  340   HH11  ARG  42          HH11      ARG  42  44.698  13.909   6.166
  341   HH12  ARG  42          HH12      ARG  42  44.079  12.535   5.316
  342   HH21  ARG  42          HH21      ARG  42  40.730  13.572   5.432
  343   HH22  ARG  42          HH22      ARG  42  41.823  12.338   4.896
  344    H    LYS  43           HN       LYS  43  43.441  19.641   7.415
  345    HA   LYS  43           HA       LYS  43  42.756  21.790   9.073
  346    HB2  LYS  43           HB2      LYS  43  42.384  21.702   6.565
  347    HB3  LYS  43           HB1      LYS  43  40.949  20.734   6.877
  348    HG2  LYS  43           HG2      LYS  43  40.034  22.606   8.202
  349    HG3  LYS  43           HG1      LYS  43  41.446  23.565   7.763
  350    HD2  LYS  43           HD2      LYS  43  40.862  23.283   5.382
  351    HD3  LYS  43           HD1      LYS  43  39.412  22.399   5.862
  352    HE2  LYS  43           HE2      LYS  43  38.836  24.698   5.380
  353    HE3  LYS  43           HE1      LYS  43  38.648  24.390   7.105
  354    HZ1  LYS  43           HZ1      LYS  43  40.986  25.714   5.843
  355    HZ2  LYS  43           HZ2      LYS  43  40.776  25.455   7.498
  356    HZ3  LYS  43           HZ3      LYS  43  39.745  26.506   6.673
  357    H    ALA  44           HN       ALA  44  41.462  18.614   8.965
  358    HA   ALA  44           HA       ALA  44  39.004  18.847  10.224
  359    HB1  ALA  44           HB1      ALA  44  39.854  16.699   9.392
  360    HB2  ALA  44           HB2      ALA  44  39.327  16.572  11.066
  361    HB3  ALA  44           HB3      ALA  44  41.045  16.663  10.695
  362    H    LEU  45           HN       LEU  45  42.238  19.089  11.651
  363    HA   LEU  45           HA       LEU  45  41.663  18.957  14.351
  364    HB2  LEU  45           HB2      LEU  45  43.697  20.653  12.912
  365    HB3  LEU  45           HB1      LEU  45  43.678  20.386  14.642
  366    HG   LEU  45           HG       LEU  45  44.042  18.219  12.571
  367   HD11  LEU  45          HD11      LEU  45  46.055  19.558  14.372
  368   HD12  LEU  45          HD12      LEU  45  45.941  19.745  12.622
  369   HD13  LEU  45          HD13      LEU  45  46.365  18.179  13.316
  370   HD21  LEU  45          HD21      LEU  45  44.742  16.888  14.551
  371   HD22  LEU  45          HD22      LEU  45  43.036  17.333  14.556
  372   HD23  LEU  45          HD23      LEU  45  44.179  18.205  15.580
  373    H    GLU  46           HN       GLU  46  40.526  21.231  12.183
  374    HA   GLU  46           HA       GLU  46  40.510  23.523  13.967
  375    HB2  GLU  46           HB2      GLU  46  40.580  23.672  11.409
  376    HB3  GLU  46           HB1      GLU  46  38.889  23.187  11.428
  377    HG2  GLU  46           HG2      GLU  46  38.931  25.527  11.217
  378    HG3  GLU  46           HG1      GLU  46  38.452  25.185  12.880
  379    H    ASP  47           HN       ASP  47  38.419  20.895  13.015
  380    HA   ASP  47           HA       ASP  47  36.153  22.025  14.512
  381    HB2  ASP  47           HB2      ASP  47  36.270  19.679  12.603
  382    HB3  ASP  47           HB1      ASP  47  34.841  20.139  13.514
  383    H    LYS  48           HN       LYS  48  38.115  19.133  14.178
  384    HA   LYS  48           HA       LYS  48  38.458  17.289  15.473
  385    HB2  LYS  48           HB2      LYS  48  39.155  19.451  16.929
  386    HB3  LYS  48           HB1      LYS  48  37.928  18.792  17.997
  387    HG2  LYS  48           HG2      LYS  48  40.097  17.988  18.661
  388    HG3  LYS  48           HG1      LYS  48  39.158  16.641  18.015
  389    HD2  LYS  48           HD2      LYS  48  40.335  16.825  15.879
  390    HD3  LYS  48           HD1      LYS  48  41.239  18.213  16.484
  391    HE2  LYS  48           HE2      LYS  48  42.645  16.282  16.627
  392    HE3  LYS  48           HE1      LYS  48  42.180  16.741  18.261
  393    HZ1  LYS  48           HZ1      LYS  48  41.235  14.443  16.655
  394    HZ2  LYS  48           HZ2      LYS  48  40.335  15.009  17.960
  395    HZ3  LYS  48           HZ3      LYS  48  41.915  14.442  18.208
  396    H    LEU  49           HN       LEU  49  37.286  16.426  17.984
  397    HA   LEU  49           HA       LEU  49  34.527  15.992  17.089
  398    HB2  LEU  49           HB2      LEU  49  36.022  14.043  17.707
  399    HB3  LEU  49           HB1      LEU  49  35.983  14.618  19.360
  400    HG   LEU  49           HG       LEU  49  33.532  14.276  19.386
  401   HD11  LEU  49          HD11      LEU  49  33.050  14.488  17.032
  402   HD12  LEU  49          HD12      LEU  49  32.518  12.908  17.609
  403   HD13  LEU  49          HD13      LEU  49  34.010  13.053  16.677
  404   HD21  LEU  49          HD21      LEU  49  33.612  11.858  19.545
  405   HD22  LEU  49          HD22      LEU  49  35.073  12.569  20.235
  406   HD23  LEU  49          HD23      LEU  49  35.120  11.832  18.634
  407    H    ALA  50           HN       ALA  50  35.644  18.436  18.520
  408    HA   ALA  50           HA       ALA  50  33.623  18.483  20.651
  409    HB1  ALA  50           HB1      ALA  50  35.828  18.171  21.677
  410    HB2  ALA  50           HB2      ALA  50  35.112  19.722  22.111
  411    HB3  ALA  50           HB3      ALA  50  36.392  19.649  20.899
  412    H    ASP  51           HN       ASP  51  35.711  20.404  18.534
  413    HA   ASP  51           HA       ASP  51  35.454  22.379  17.471
  414    HB2  ASP  51           HB2      ASP  51  33.216  21.536  16.807
  415    HB3  ASP  51           HB1      ASP  51  32.539  22.206  18.286
  416    H    TYR  52           HN       TYR  52  36.163  24.314  18.169
  417    HA   TYR  52           HA       TYR  52  35.223  25.230  20.768
  418    HB2  TYR  52           HB2      TYR  52  37.381  23.902  20.989
  419    HB3  TYR  52           HB1      TYR  52  38.160  25.177  20.058
  420    HD1  TYR  52           HD1      TYR  52  36.134  24.634  23.135
  421    HD2  TYR  52           HD2      TYR  52  39.045  27.026  21.166
  422    HE1  TYR  52           HE1      TYR  52  36.474  25.908  25.205
  423    HE2  TYR  52           HE2      TYR  52  39.396  28.309  23.231
  424    HH   TYR  52           HH       TYR  52  38.279  27.294  26.241
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  -4.509 -18.271  10.266
    2    H2   GLY   1           HT2      GLY   1  -5.201 -16.854  10.879
    3    H3   GLY   1           HT3      GLY   1  -5.153 -18.245  11.831
    4    HA2  GLY   1           HA1      GLY   1  -2.746 -18.152  11.904
    5    HA3  GLY   1           HA2      GLY   1  -2.796 -16.717  10.890
    6    H    SER   2           HN       SER   2  -2.001 -17.408  13.793
    7    HA   SER   2           HA       SER   2  -3.704 -15.574  15.259
    8    HB2  SER   2           HB2      SER   2  -1.311 -17.175  16.174
    9    HB3  SER   2           HB1      SER   2  -2.433 -16.298  17.216
   10    HG   SER   2           HG       SER   2  -3.757 -17.906  17.096
   11    H    VAL   3           HN       VAL   3  -0.332 -15.785  14.158
   12    HA   VAL   3           HA       VAL   3   0.287 -13.208  15.348
   13    HB   VAL   3           HB       VAL   3   1.936 -15.133  15.249
   14   HG11  VAL   3          HG11      VAL   3   1.539 -15.866  12.977
   15   HG12  VAL   3          HG12      VAL   3   3.233 -15.432  13.200
   16   HG13  VAL   3          HG13      VAL   3   2.145 -14.332  12.355
   17   HG21  VAL   3          HG21      VAL   3   3.884 -13.695  14.800
   18   HG22  VAL   3          HG22      VAL   3   2.673 -12.885  15.794
   19   HG23  VAL   3          HG23      VAL   3   2.813 -12.492  14.081
   20    H    GLU   4           HN       GLU   4  -1.127 -14.255  12.546
   21    HA   GLU   4           HA       GLU   4  -0.031 -12.448  10.643
   22    HB2  GLU   4           HB2      GLU   4  -2.681 -13.925  10.628
   23    HB3  GLU   4           HB1      GLU   4  -2.052 -12.983   9.282
   24    HG2  GLU   4           HG2      GLU   4  -0.736 -15.388  10.513
   25    HG3  GLU   4           HG1      GLU   4  -1.674 -15.375   9.019
   26    H    LYS   5           HN       LYS   5  -3.387 -12.264  11.980
   27    HA   LYS   5           HA       LYS   5  -4.597 -10.498  12.647
   28    HB2  LYS   5           HB2      LYS   5  -1.925  -9.087  12.873
   29    HB3  LYS   5           HB1      LYS   5  -3.450  -8.475  13.493
   30    HG2  LYS   5           HG2      LYS   5  -3.592 -10.315  15.059
   31    HG3  LYS   5           HG1      LYS   5  -2.116 -11.020  14.394
   32    HD2  LYS   5           HD2      LYS   5  -0.871  -9.010  15.072
   33    HD3  LYS   5           HD1      LYS   5  -2.346  -8.343  15.770
   34    HE2  LYS   5           HE2      LYS   5  -1.084 -10.948  16.611
   35    HE3  LYS   5           HE1      LYS   5  -0.825  -9.410  17.428
   36    HZ1  LYS   5           HZ1      LYS   5  -2.539 -10.798  18.478
   37    HZ2  LYS   5           HZ2      LYS   5  -3.481 -10.692  17.078
   38    HZ3  LYS   5           HZ3      LYS   5  -3.138  -9.301  17.970
   39    H    LEU   6           HN       LEU   6  -3.675 -11.043   9.863
   40    HA   LEU   6           HA       LEU   6  -4.313 -10.321   7.841
   41    HB2  LEU   6           HB2      LEU   6  -5.085  -7.760   9.228
   42    HB3  LEU   6           HB1      LEU   6  -5.308  -8.056   7.517
   43    HG   LEU   6           HG       LEU   6  -6.592  -9.676   9.712
   44   HD11  LEU   6          HD11      LEU   6  -8.646  -8.519   9.104
   45   HD12  LEU   6          HD12      LEU   6  -7.750  -7.518   7.961
   46   HD13  LEU   6          HD13      LEU   6  -7.427  -7.388   9.691
   47   HD21  LEU   6          HD21      LEU   6  -6.283 -10.941   7.662
   48   HD22  LEU   6          HD22      LEU   6  -7.006  -9.635   6.725
   49   HD23  LEU   6          HD23      LEU   6  -7.985 -10.540   7.878
   50    H    THR   7           HN       THR   7  -1.946  -8.731   9.762
   51    HA   THR   7           HA       THR   7  -0.523  -8.141   7.419
   52    HB   THR   7           HB       THR   7  -1.685  -6.096   7.451
   53    HG1  THR   7           HG1      THR   7   0.578  -5.904   7.145
   54   HG21  THR   7          HG21      THR   7  -1.777  -4.591   9.408
   55   HG22  THR   7          HG22      THR   7  -0.979  -5.832  10.375
   56   HG23  THR   7          HG23      THR   7  -2.583  -6.130   9.709
   57    H    ALA   8           HN       ALA   8   1.127  -9.522   8.290
   58    HA   ALA   8           HA       ALA   8   2.506  -8.476  10.662
   59    HB1  ALA   8           HB1      ALA   8   1.655 -10.779  10.932
   60    HB2  ALA   8           HB2      ALA   8   3.414 -10.706  10.999
   61    HB3  ALA   8           HB3      ALA   8   2.613 -11.283   9.539
   62    H    ASP   9           HN       ASP   9   2.676  -9.248   7.335
   63    HA   ASP   9           HA       ASP   9   5.507  -9.387   7.041
   64    HB2  ASP   9           HB2      ASP   9   3.991 -10.319   5.330
   65    HB3  ASP   9           HB1      ASP   9   3.412  -8.698   4.953
   66    H    ALA  10           HN       ALA  10   3.163  -6.812   6.804
   67    HA   ALA  10           HA       ALA  10   4.917  -4.811   5.852
   68    HB1  ALA  10           HB1      ALA  10   2.471  -4.572   5.713
   69    HB2  ALA  10           HB2      ALA  10   3.221  -3.194   6.510
   70    HB3  ALA  10           HB3      ALA  10   2.392  -4.414   7.471
   71    H    GLU  11           HN       GLU  11   4.471  -6.153   9.022
   72    HA   GLU  11           HA       GLU  11   5.658  -3.867  10.345
   73    HB2  GLU  11           HB2      GLU  11   3.982  -5.161  11.582
   74    HB3  GLU  11           HB1      GLU  11   4.968  -6.613  11.442
   75    HG2  GLU  11           HG2      GLU  11   6.697  -5.603  12.796
   76    HG3  GLU  11           HG1      GLU  11   5.774  -4.105  12.890
   77    H    LEU  12           HN       LEU  12   6.542  -7.178   9.575
   78    HA   LEU  12           HA       LEU  12   9.173  -7.007  10.564
   79    HB2  LEU  12           HB2      LEU  12   9.696  -9.016   9.254
   80    HB3  LEU  12           HB1      LEU  12   8.208  -9.189  10.149
   81    HG   LEU  12           HG       LEU  12   7.065  -8.592   7.862
   82   HD11  LEU  12          HD11      LEU  12   9.082  -7.934   6.694
   83   HD12  LEU  12          HD12      LEU  12   8.290  -9.304   5.919
   84   HD13  LEU  12          HD13      LEU  12   9.738  -9.560   6.897
   85   HD21  LEU  12          HD21      LEU  12   7.065 -10.957   7.252
   86   HD22  LEU  12          HD22      LEU  12   6.868 -10.737   8.991
   87   HD23  LEU  12          HD23      LEU  12   8.429 -11.237   8.336
   88    H    GLN  13           HN       GLN  13   7.753  -5.958   7.591
   89    HA   GLN  13           HA       GLN  13  10.264  -5.430   6.296
   90    HB2  GLN  13           HB2      GLN  13   8.155  -5.806   5.006
   91    HB3  GLN  13           HB1      GLN  13   7.547  -4.271   5.617
   92    HG2  GLN  13           HG2      GLN  13   9.254  -3.065   4.465
   93    HG3  GLN  13           HG1      GLN  13  10.062  -4.561   3.995
   94   HE21  GLN  13          HE21      GLN  13   7.408  -2.428   3.400
   95   HE22  GLN  13          HE22      GLN  13   6.901  -3.153   1.913
   96    H    ARG  14           HN       ARG  14   7.943  -3.584   8.182
   97    HA   ARG  14           HA       ARG  14   9.193  -1.050   7.955
   98    HB2  ARG  14           HB2      ARG  14   6.892  -1.369   8.903
   99    HB3  ARG  14           HB1      ARG  14   7.592  -2.151  10.309
  100    HG2  ARG  14           HG2      ARG  14   8.315   0.668   9.579
  101    HG3  ARG  14           HG1      ARG  14   6.851   0.301  10.486
  102    HD2  ARG  14           HD2      ARG  14   9.679  -0.403  11.290
  103    HD3  ARG  14           HD1      ARG  14   8.692   0.883  11.985
  104    HE   ARG  14           HE       ARG  14   7.167  -1.299  12.381
  105   HH11  ARG  14          HH11      ARG  14  10.543  -0.639  13.096
  106   HH12  ARG  14          HH12      ARG  14  10.592  -1.667  14.483
  107   HH21  ARG  14          HH21      ARG  14   7.230  -2.673  14.238
  108   HH22  ARG  14          HH22      ARG  14   8.696  -2.838  15.133
  109    H    LEU  15           HN       LEU  15   9.654  -3.787  10.051
  110    HA   LEU  15           HA       LEU  15  11.577  -2.747  11.809
  111    HB2  LEU  15           HB2      LEU  15  10.392  -4.876  12.129
  112    HB3  LEU  15           HB1      LEU  15  11.249  -5.559  10.762
  113    HG   LEU  15           HG       LEU  15  13.375  -5.246  12.035
  114   HD11  LEU  15          HD11      LEU  15  13.208  -4.906  14.458
  115   HD12  LEU  15          HD12      LEU  15  11.482  -4.593  14.288
  116   HD13  LEU  15          HD13      LEU  15  12.654  -3.497  13.555
  117   HD21  LEU  15          HD21      LEU  15  11.252  -6.960  13.313
  118   HD22  LEU  15          HD22      LEU  15  12.994  -7.166  13.486
  119   HD23  LEU  15          HD23      LEU  15  12.233  -7.393  11.914
  120    H    LYS  16           HN       LYS  16  11.834  -4.217   8.634
  121    HA   LYS  16           HA       LYS  16  14.672  -4.318   8.486
  122    HB2  LYS  16           HB2      LYS  16  13.172  -5.603   6.957
  123    HB3  LYS  16           HB1      LYS  16  12.693  -4.095   6.195
  124    HG2  LYS  16           HG2      LYS  16  15.023  -3.744   5.494
  125    HG3  LYS  16           HG1      LYS  16  15.444  -5.306   6.201
  126    HD2  LYS  16           HD2      LYS  16  13.846  -6.405   4.694
  127    HD3  LYS  16           HD1      LYS  16  13.457  -4.841   3.976
  128    HE2  LYS  16           HE2      LYS  16  15.812  -4.602   3.299
  129    HE3  LYS  16           HE1      LYS  16  16.148  -6.199   3.961
  130    HZ1  LYS  16           HZ1      LYS  16  14.651  -7.167   2.356
  131    HZ2  LYS  16           HZ2      LYS  16  15.801  -6.224   1.553
  132    HZ3  LYS  16           HZ3      LYS  16  14.234  -5.641   1.760
  133    H    ASN  17           HN       ASN  17  12.279  -1.913   7.665
  134    HA   ASN  17           HA       ASN  17  14.025  -0.057   6.379
  135    HB2  ASN  17           HB2      ASN  17  11.437   0.513   7.849
  136    HB3  ASN  17           HB1      ASN  17  12.245   1.600   6.733
  137   HD21  ASN  17          HD21      ASN  17   9.575   0.593   6.636
  138   HD22  ASN  17          HD22      ASN  17   9.409  -0.277   5.151
  139    H    GLU  18           HN       GLU  18  12.708  -0.331   9.637
  140    HA   GLU  18           HA       GLU  18  13.928   1.889  10.814
  141    HB2  GLU  18           HB2      GLU  18  12.118   0.300  11.737
  142    HB3  GLU  18           HB1      GLU  18  13.455  -0.716  12.253
  143    HG2  GLU  18           HG2      GLU  18  12.803   0.597  14.109
  144    HG3  GLU  18           HG1      GLU  18  14.337   1.245  13.527
  145    H    ARG  19           HN       ARG  19  15.071  -1.371  10.269
  146    HA   ARG  19           HA       ARG  19  17.434  -1.254  11.792
  147    HB2  ARG  19           HB2      ARG  19  16.417  -3.348  10.748
  148    HB3  ARG  19           HB1      ARG  19  17.120  -2.826   9.221
  149    HG2  ARG  19           HG2      ARG  19  18.530  -4.471  10.240
  150    HG3  ARG  19           HG1      ARG  19  19.350  -2.908  10.275
  151    HD2  ARG  19           HD2      ARG  19  18.726  -2.594  12.592
  152    HD3  ARG  19           HD1      ARG  19  17.794  -4.090  12.571
  153    HE   ARG  19           HE       ARG  19  20.574  -4.419  11.897
  154   HH11  ARG  19          HH11      ARG  19  18.222  -4.305  14.501
  155   HH12  ARG  19          HH12      ARG  19  19.209  -5.206  15.597
  156   HH21  ARG  19          HH21      ARG  19  21.874  -5.605  13.354
  157   HH22  ARG  19          HH22      ARG  19  21.292  -5.946  14.943
  158    H    HIS  20           HN       HIS  20  16.772  -0.392   8.426
  159    HA   HIS  20           HA       HIS  20  19.452   0.331   7.801
  160    HB2  HIS  20           HB2      HIS  20  16.846   1.107   6.468
  161    HB3  HIS  20           HB1      HIS  20  18.433   1.541   5.851
  162    HD1  HIS  20           HD1      HIS  20  16.042  -0.581   4.817
  163    HD2  HIS  20           HD2      HIS  20  19.938  -1.318   6.062
  164    HE1  HIS  20           HE1      HIS  20  16.670  -2.776   3.792
  165    H    GLU  21           HN       GLU  21  16.716   2.089   9.112
  166    HA   GLU  21           HA       GLU  21  17.785   4.683   8.866
  167    HB2  GLU  21           HB2      GLU  21  15.884   3.610  10.957
  168    HB3  GLU  21           HB1      GLU  21  16.186   5.312  10.629
  169    HG2  GLU  21           HG2      GLU  21  15.000   3.335   8.697
  170    HG3  GLU  21           HG1      GLU  21  14.111   4.544   9.618
  171    H    GLU  22           HN       GLU  22  18.083   2.225  11.362
  172    HA   GLU  22           HA       GLU  22  19.574   3.901  13.134
  173    HB2  GLU  22           HB2      GLU  22  18.284   1.922  13.932
  174    HB3  GLU  22           HB1      GLU  22  19.427   0.872  13.103
  175    HG2  GLU  22           HG2      GLU  22  19.905   0.979  15.473
  176    HG3  GLU  22           HG1      GLU  22  21.222   1.689  14.538
  177    H    ALA  23           HN       ALA  23  20.386   1.851  10.381
  178    HA   ALA  23           HA       ALA  23  23.166   1.668  11.066
  179    HB1  ALA  23           HB1      ALA  23  22.036  -0.097   9.727
  180    HB2  ALA  23           HB2      ALA  23  23.428   0.597   8.907
  181    HB3  ALA  23           HB3      ALA  23  21.806   1.072   8.421
  182    H    GLU  24           HN       GLU  24  21.086   3.857   9.497
  183    HA   GLU  24           HA       GLU  24  23.056   5.246   7.950
  184    HB2  GLU  24           HB2      GLU  24  20.642   5.496   7.449
  185    HB3  GLU  24           HB1      GLU  24  20.375   6.246   9.014
  186    HG2  GLU  24           HG2      GLU  24  20.427   7.966   7.404
  187    HG3  GLU  24           HG1      GLU  24  21.937   8.064   8.306
  188    H    LEU  25           HN       LEU  25  21.527   5.736  11.088
  189    HA   LEU  25           HA       LEU  25  22.992   7.963  11.921
  190    HB2  LEU  25           HB2      LEU  25  21.933   5.744  13.667
  191    HB3  LEU  25           HB1      LEU  25  22.291   7.388  14.160
  192    HG   LEU  25           HG       LEU  25  20.099   6.575  12.250
  193   HD11  LEU  25          HD11      LEU  25  19.633   5.889  14.535
  194   HD12  LEU  25          HD12      LEU  25  18.582   7.216  14.044
  195   HD13  LEU  25          HD13      LEU  25  19.957   7.526  15.104
  196   HD21  LEU  25          HD21      LEU  25  20.992   8.788  11.737
  197   HD22  LEU  25          HD22      LEU  25  20.789   9.271  13.421
  198   HD23  LEU  25          HD23      LEU  25  19.376   8.906  12.431
  199    H    GLU  26           HN       GLU  26  23.607   4.565  12.215
  200    HA   GLU  26           HA       GLU  26  25.970   4.543  13.710
  201    HB2  GLU  26           HB2      GLU  26  25.199   2.768  11.399
  202    HB3  GLU  26           HB1      GLU  26  26.658   2.509  12.342
  203    HG2  GLU  26           HG2      GLU  26  25.256   2.274  14.362
  204    HG3  GLU  26           HG1      GLU  26  23.821   2.406  13.347
  205    H    ARG  27           HN       ARG  27  25.746   4.671  10.182
  206    HA   ARG  27           HA       ARG  27  28.498   5.215   9.735
  207    HB2  ARG  27           HB2      ARG  27  27.161   4.297   7.940
  208    HB3  ARG  27           HB1      ARG  27  26.071   5.675   7.976
  209    HG2  ARG  27           HG2      ARG  27  27.835   7.119   7.156
  210    HG3  ARG  27           HG1      ARG  27  28.968   5.763   7.171
  211    HD2  ARG  27           HD2      ARG  27  28.016   6.240   4.926
  212    HD3  ARG  27           HD1      ARG  27  27.696   4.605   5.498
  213    HE   ARG  27           HE       ARG  27  25.633   6.643   5.916
  214   HH11  ARG  27          HH11      ARG  27  26.725   3.800   4.177
  215   HH12  ARG  27          HH12      ARG  27  25.161   3.434   3.538
  216   HH21  ARG  27          HH21      ARG  27  23.561   6.155   5.082
  217   HH22  ARG  27          HH22      ARG  27  23.353   4.777   4.043
  218    H    LEU  28           HN       LEU  28  25.714   7.236  10.229
  219    HA   LEU  28           HA       LEU  28  26.789   9.714   9.416
  220    HB2  LEU  28           HB2      LEU  28  24.379   9.356   9.799
  221    HB3  LEU  28           HB1      LEU  28  24.673   9.191  11.519
  222    HG   LEU  28           HG       LEU  28  25.481  11.554  11.536
  223   HD11  LEU  28          HD11      LEU  28  24.888  12.979   9.640
  224   HD12  LEU  28          HD12      LEU  28  24.394  11.555   8.725
  225   HD13  LEU  28          HD13      LEU  28  26.083  11.763   9.192
  226   HD21  LEU  28          HD21      LEU  28  22.667  11.085  10.560
  227   HD22  LEU  28          HD22      LEU  28  23.242  12.515  11.416
  228   HD23  LEU  28          HD23      LEU  28  23.223  10.950  12.227
  229    H    LYS  29           HN       LYS  29  26.638   8.218  12.639
  230    HA   LYS  29           HA       LYS  29  27.984  10.337  13.957
  231    HB2  LYS  29           HB2      LYS  29  27.769   7.447  14.813
  232    HB3  LYS  29           HB1      LYS  29  28.249   8.788  15.841
  233    HG2  LYS  29           HG2      LYS  29  25.970   9.789  15.368
  234    HG3  LYS  29           HG1      LYS  29  25.545   8.231  14.657
  235    HD2  LYS  29           HD2      LYS  29  26.419   8.744  17.505
  236    HD3  LYS  29           HD1      LYS  29  24.802   8.307  16.964
  237    HE2  LYS  29           HE2      LYS  29  27.255   6.570  16.663
  238    HE3  LYS  29           HE1      LYS  29  26.058   6.407  17.945
  239    HZ1  LYS  29           HZ1      LYS  29  25.709   4.843  16.123
  240    HZ2  LYS  29           HZ2      LYS  29  25.487   6.123  15.044
  241    HZ3  LYS  29           HZ3      LYS  29  24.389   5.881  16.311
  242    H    SER  30           HN       SER  30  29.102   7.732  12.026
  243    HA   SER  30           HA       SER  30  31.768   7.692  13.115
  244    HB2  SER  30           HB2      SER  30  30.769   5.662  12.061
  245    HB3  SER  30           HB1      SER  30  30.755   6.497  10.507
  246    HG   SER  30           HG       SER  30  32.990   6.558  10.547
  247    H    GLU  31           HN       GLU  31  30.110   9.249  10.455
  248    HA   GLU  31           HA       GLU  31  32.565  10.301   9.342
  249    HB2  GLU  31           HB2      GLU  31  29.696  10.921   8.632
  250    HB3  GLU  31           HB1      GLU  31  31.114  11.395   7.708
  251    HG2  GLU  31           HG2      GLU  31  30.140   8.591   8.193
  252    HG3  GLU  31           HG1      GLU  31  30.053   9.492   6.680
  253    H    ARG  32           HN       ARG  32  29.644  11.631  10.859
  254    HA   ARG  32           HA       ARG  32  30.493  14.303  10.981
  255    HB2  ARG  32           HB2      ARG  32  28.539  12.814  12.733
  256    HB3  ARG  32           HB1      ARG  32  28.756  14.555  12.757
  257    HG2  ARG  32           HG2      ARG  32  27.840  12.950  10.373
  258    HG3  ARG  32           HG1      ARG  32  26.787  13.848  11.463
  259    HD2  ARG  32           HD2      ARG  32  27.022  15.487   9.931
  260    HD3  ARG  32           HD1      ARG  32  28.544  15.785  10.765
  261    HE   ARG  32           HE       ARG  32  28.962  13.863   8.750
  262   HH11  ARG  32          HH11      ARG  32  28.237  17.287   9.071
  263   HH12  ARG  32          HH12      ARG  32  28.969  17.716   7.565
  264   HH21  ARG  32          HH21      ARG  32  29.922  14.442   6.729
  265   HH22  ARG  32          HH22      ARG  32  29.912  16.100   6.234
  266    H    HIS  33           HN       HIS  33  31.465  11.601  12.797
  267    HA   HIS  33           HA       HIS  33  32.079  12.523  15.312
  268    HB2  HIS  33           HB2      HIS  33  32.363  10.186  14.263
  269    HB3  HIS  33           HB1      HIS  33  33.957  10.746  13.781
  270    HD1  HIS  33           HD1      HIS  33  32.270   9.055  16.440
  271    HD2  HIS  33           HD2      HIS  33  35.509  11.640  16.184
  272    HE1  HIS  33           HE1      HIS  33  33.557   8.729  18.569
  273    H    ASP  34           HN       ASP  34  33.845  13.134  12.323
  274    HA   ASP  34           HA       ASP  34  36.024  14.483  13.768
  275    HB2  ASP  34           HB2      ASP  34  36.615  13.051  11.824
  276    HB3  ASP  34           HB1      ASP  34  35.643  14.074  10.775
  277    H    HIS  35           HN       HIS  35  33.074  15.256  12.713
  278    HA   HIS  35           HA       HIS  35  33.729  18.006  11.904
  279    HB2  HIS  35           HB2      HIS  35  31.078  16.550  11.829
  280    HB3  HIS  35           HB1      HIS  35  31.337  18.206  11.291
  281    HD2  HIS  35           HD2      HIS  35  32.904  18.437   8.919
  282    HE1  HIS  35           HE1      HIS  35  32.540  14.340   7.895
  283    HE2  HIS  35           HE2      HIS  35  33.394  16.588   7.178
  284    H    ASP  36           HN       ASP  36  33.065  16.287  14.631
  285    HA   ASP  36           HA       ASP  36  31.227  17.913  16.025
  286    HB2  ASP  36           HB2      ASP  36  31.804  16.715  17.985
  287    HB3  ASP  36           HB1      ASP  36  32.002  15.551  16.686
  288    H    LYS  37           HN       LYS  37  34.721  18.001  15.741
  289    HA   LYS  37           HA       LYS  37  35.121  20.023  17.697
  290    HB2  LYS  37           HB2      LYS  37  36.960  18.570  16.885
  291    HB3  LYS  37           HB1      LYS  37  36.895  19.382  15.325
  292    HG2  LYS  37           HG2      LYS  37  37.532  21.475  16.375
  293    HG3  LYS  37           HG1      LYS  37  37.560  20.683  17.952
  294    HD2  LYS  37           HD2      LYS  37  39.325  19.174  17.128
  295    HD3  LYS  37           HD1      LYS  37  39.322  20.043  15.591
  296    HE2  LYS  37           HE2      LYS  37  39.967  22.092  16.718
  297    HE3  LYS  37           HE1      LYS  37  39.896  21.281  18.281
  298    HZ1  LYS  37           HZ1      LYS  37  41.759  20.620  16.070
  299    HZ2  LYS  37           HZ2      LYS  37  41.697  19.840  17.572
  300    HZ3  LYS  37           HZ3      LYS  37  42.153  21.469  17.481
  301    H    LYS  38           HN       LYS  38  34.096  20.134  14.415
  302    HA   LYS  38           HA       LYS  38  34.693  22.936  14.077
  303    HB2  LYS  38           HB2      LYS  38  32.968  21.189  12.313
  304    HB3  LYS  38           HB1      LYS  38  33.737  22.711  11.884
  305    HG2  LYS  38           HG2      LYS  38  35.938  21.620  12.223
  306    HG3  LYS  38           HG1      LYS  38  35.091  20.097  12.472
  307    HD2  LYS  38           HD2      LYS  38  34.100  20.329  10.217
  308    HD3  LYS  38           HD1      LYS  38  35.064  21.790   9.977
  309    HE2  LYS  38           HE2      LYS  38  36.091  18.995  10.453
  310    HE3  LYS  38           HE1      LYS  38  36.176  19.906   8.947
  311    HZ1  LYS  38           HZ1      LYS  38  37.551  20.610  11.488
  312    HZ2  LYS  38           HZ2      LYS  38  37.626  21.506  10.062
  313    HZ3  LYS  38           HZ3      LYS  38  38.282  19.955  10.115
  314    H    GLU  39           HN       GLU  39  31.783  20.929  14.467
  315    HA   GLU  39           HA       GLU  39  30.445  22.813  16.055
  316    HB2  GLU  39           HB2      GLU  39  30.288  24.010  13.847
  317    HB3  GLU  39           HB1      GLU  39  29.365  22.651  13.228
  318    HG2  GLU  39           HG2      GLU  39  27.944  24.533  13.906
  319    HG3  GLU  39           HG1      GLU  39  27.603  23.065  14.820
  320    H    ALA  40           HN       ALA  40  28.392  22.053  16.738
  321    HA   ALA  40           HA       ALA  40  28.256  19.218  16.780
  322    HB1  ALA  40           HB1      ALA  40  27.579  20.548  18.721
  323    HB2  ALA  40           HB2      ALA  40  26.284  19.485  18.184
  324    HB3  ALA  40           HB3      ALA  40  26.214  21.201  17.805
  325    H    GLU  41           HN       GLU  41  27.171  17.930  15.109
  326    HA   GLU  41           HA       GLU  41  25.238  19.344  13.426
  327    HB2  GLU  41           HB2      GLU  41  26.838  16.830  12.914
  328    HB3  GLU  41           HB1      GLU  41  25.664  17.519  11.805
  329    HG2  GLU  41           HG2      GLU  41  28.179  18.874  12.740
  330    HG3  GLU  41           HG1      GLU  41  27.953  18.074  11.182
  331    H    ARG  42           HN       ARG  42  25.181  17.404  16.071
  332    HA   ARG  42           HA       ARG  42  22.591  16.573  15.793
  333    HB2  ARG  42           HB2      ARG  42  23.829  14.909  14.262
  334    HB3  ARG  42           HB1      ARG  42  24.608  14.318  15.721
  335    HG2  ARG  42           HG2      ARG  42  22.422  13.734  16.651
  336    HG3  ARG  42           HG1      ARG  42  21.650  14.319  15.176
  337    HD2  ARG  42           HD2      ARG  42  22.934  12.653  13.885
  338    HD3  ARG  42           HD1      ARG  42  23.607  12.037  15.393
  339    HE   ARG  42           HE       ARG  42  20.765  11.910  14.615
  340   HH11  ARG  42          HH11      ARG  42  23.492  10.667  16.455
  341   HH12  ARG  42          HH12      ARG  42  22.615   9.327  17.097
  342   HH21  ARG  42          HH21      ARG  42  19.616  10.109  15.453
  343   HH22  ARG  42          HH22      ARG  42  20.412   8.992  16.504
  344    H    LYS  43           HN       LYS  43  21.968  15.970  17.739
  345    HA   LYS  43           HA       LYS  43  23.085  16.785  20.079
  346    HB2  LYS  43           HB2      LYS  43  21.348  14.342  19.745
  347    HB3  LYS  43           HB1      LYS  43  21.708  15.088  21.292
  348    HG2  LYS  43           HG2      LYS  43  20.645  17.171  20.480
  349    HG3  LYS  43           HG1      LYS  43  20.193  16.322  19.005
  350    HD2  LYS  43           HD2      LYS  43  19.372  15.531  21.798
  351    HD3  LYS  43           HD1      LYS  43  18.354  16.393  20.647
  352    HE2  LYS  43           HE2      LYS  43  19.513  13.632  20.236
  353    HE3  LYS  43           HE1      LYS  43  17.863  13.975  20.739
  354    HZ1  LYS  43           HZ1      LYS  43  17.531  15.164  18.648
  355    HZ2  LYS  43           HZ2      LYS  43  17.942  13.550  18.383
  356    HZ3  LYS  43           HZ3      LYS  43  19.096  14.765  18.154
  357    H    ALA  44           HN       ALA  44  23.497  13.558  18.701
  358    HA   ALA  44           HA       ALA  44  25.058  12.341  20.632
  359    HB1  ALA  44           HB1      ALA  44  25.373  12.055  17.635
  360    HB2  ALA  44           HB2      ALA  44  24.279  11.124  18.663
  361    HB3  ALA  44           HB3      ALA  44  26.021  10.952  18.844
  362    H    LEU  45           HN       LEU  45  26.086  14.641  18.178
  363    HA   LEU  45           HA       LEU  45  28.882  14.402  18.934
  364    HB2  LEU  45           HB2      LEU  45  27.510  16.248  16.964
  365    HB3  LEU  45           HB1      LEU  45  29.226  16.284  17.294
  366    HG   LEU  45           HG       LEU  45  28.995  15.104  15.279
  367   HD11  LEU  45          HD11      LEU  45  29.253  13.012  17.426
  368   HD12  LEU  45          HD12      LEU  45  30.543  14.064  16.847
  369   HD13  LEU  45          HD13      LEU  45  29.814  12.883  15.759
  370   HD21  LEU  45          HD21      LEU  45  26.839  13.452  16.590
  371   HD22  LEU  45          HD22      LEU  45  27.500  13.174  14.979
  372   HD23  LEU  45          HD23      LEU  45  26.619  14.662  15.325
  373    H    GLU  46           HN       GLU  46  26.218  16.617  19.355
  374    HA   GLU  46           HA       GLU  46  27.630  18.739  20.570
  375    HB2  GLU  46           HB2      GLU  46  25.249  18.911  19.791
  376    HB3  GLU  46           HB1      GLU  46  24.769  17.918  21.162
  377    HG2  GLU  46           HG2      GLU  46  25.509  19.614  22.700
  378    HG3  GLU  46           HG1      GLU  46  26.135  20.589  21.371
  379    H    ASP  47           HN       ASP  47  26.183  15.832  21.875
  380    HA   ASP  47           HA       ASP  47  26.660  16.344  24.625
  381    HB2  ASP  47           HB2      ASP  47  25.106  14.585  23.973
  382    HB3  ASP  47           HB1      ASP  47  26.387  13.709  23.141
  383    H    LYS  48           HN       LYS  48  28.475  14.568  22.231
  384    HA   LYS  48           HA       LYS  48  30.710  13.825  23.672
  385    HB2  LYS  48           HB2      LYS  48  30.645  14.806  20.811
  386    HB3  LYS  48           HB1      LYS  48  32.043  14.047  21.557
  387    HG2  LYS  48           HG2      LYS  48  29.341  12.780  21.155
  388    HG3  LYS  48           HG1      LYS  48  30.793  12.469  20.202
  389    HD2  LYS  48           HD2      LYS  48  31.917  11.691  22.291
  390    HD3  LYS  48           HD1      LYS  48  30.374  11.867  23.131
  391    HE2  LYS  48           HE2      LYS  48  30.721   9.558  22.461
  392    HE3  LYS  48           HE1      LYS  48  29.358  10.259  21.589
  393    HZ1  LYS  48           HZ1      LYS  48  30.789   8.961  20.134
  394    HZ2  LYS  48           HZ2      LYS  48  32.109   9.947  20.517
  395    HZ3  LYS  48           HZ3      LYS  48  30.791  10.588  19.678
  396    H    LEU  49           HN       LEU  49  30.298  16.961  22.005
  397    HA   LEU  49           HA       LEU  49  32.642  18.140  23.004
  398    HB2  LEU  49           HB2      LEU  49  30.047  19.478  22.236
  399    HB3  LEU  49           HB1      LEU  49  31.602  20.267  22.390
  400    HG   LEU  49           HG       LEU  49  30.954  18.142  20.349
  401   HD11  LEU  49          HD11      LEU  49  30.951  19.977  18.737
  402   HD12  LEU  49          HD12      LEU  49  31.162  21.134  20.051
  403   HD13  LEU  49          HD13      LEU  49  29.684  20.180  19.946
  404   HD21  LEU  49          HD21      LEU  49  33.315  18.208  20.942
  405   HD22  LEU  49          HD22      LEU  49  33.347  19.951  20.677
  406   HD23  LEU  49          HD23      LEU  49  33.064  18.858  19.322
  407    H    ALA  50           HN       ALA  50  29.319  18.675  23.988
  408    HA   ALA  50           HA       ALA  50  29.741  20.241  26.248
  409    HB1  ALA  50           HB1      ALA  50  27.471  18.311  25.808
  410    HB2  ALA  50           HB2      ALA  50  27.548  19.972  25.218
  411    HB3  ALA  50           HB3      ALA  50  27.483  19.651  26.950
  412    H    ASP  51           HN       ASP  51  31.337  19.568  27.566
  413    HA   ASP  51           HA       ASP  51  31.175  16.932  28.772
  414    HB2  ASP  51           HB2      ASP  51  33.391  17.819  28.148
  415    HB3  ASP  51           HB1      ASP  51  33.192  19.107  29.336
  416    H    TYR  52           HN       TYR  52  29.436  16.921  29.997
  417    HA   TYR  52           HA       TYR  52  29.571  18.565  32.431
  418    HB2  TYR  52           HB2      TYR  52  27.079  17.637  30.986
  419    HB3  TYR  52           HB1      TYR  52  27.082  18.392  32.573
  420    HD1  TYR  52           HD1      TYR  52  26.832  18.948  29.096
  421    HD2  TYR  52           HD2      TYR  52  28.195  20.757  32.694
  422    HE1  TYR  52           HE1      TYR  52  26.696  21.161  28.030
  423    HE2  TYR  52           HE2      TYR  52  28.062  22.971  31.638
  424    HH   TYR  52           HH       TYR  52  28.102  23.929  29.359
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  -5.312  -4.174  15.804
    2    H2   GLY   1           HT2      GLY   1  -4.012  -4.138  16.886
    3    H3   GLY   1           HT3      GLY   1  -4.686  -5.618  16.417
    4    HA2  GLY   1           HA1      GLY   1  -3.271  -3.725  14.634
    5    HA3  GLY   1           HA2      GLY   1  -2.588  -5.210  15.287
    6    H    SER   2           HN       SER   2  -5.225  -3.948  13.290
    7    HA   SER   2           HA       SER   2  -6.014  -6.471  12.276
    8    HB2  SER   2           HB2      SER   2  -6.441  -3.758  11.017
    9    HB3  SER   2           HB1      SER   2  -7.403  -5.215  10.768
   10    HG   SER   2           HG       SER   2  -8.133  -5.081  12.861
   11    H    VAL   3           HN       VAL   3  -3.989  -3.855  10.963
   12    HA   VAL   3           HA       VAL   3  -3.451  -5.138   8.484
   13    HB   VAL   3           HB       VAL   3  -1.835  -3.005   9.916
   14   HG11  VAL   3          HG11      VAL   3  -1.844  -3.803   7.005
   15   HG12  VAL   3          HG12      VAL   3  -0.548  -4.111   8.160
   16   HG13  VAL   3          HG13      VAL   3  -0.947  -2.455   7.702
   17   HG21  VAL   3          HG21      VAL   3  -4.153  -2.318   9.539
   18   HG22  VAL   3          HG22      VAL   3  -3.996  -2.721   7.830
   19   HG23  VAL   3          HG23      VAL   3  -3.042  -1.406   8.519
   20    H    GLU   4           HN       GLU   4  -1.980  -5.130  11.601
   21    HA   GLU   4           HA       GLU   4   0.501  -6.350  11.044
   22    HB2  GLU   4           HB2      GLU   4   0.031  -5.335  13.221
   23    HB3  GLU   4           HB1      GLU   4  -1.202  -6.546  13.543
   24    HG2  GLU   4           HG2      GLU   4   0.583  -8.271  13.465
   25    HG3  GLU   4           HG1      GLU   4   1.762  -6.963  13.341
   26    H    LYS   5           HN       LYS   5  -2.658  -7.726  11.741
   27    HA   LYS   5           HA       LYS   5  -1.696 -10.436  11.682
   28    HB2  LYS   5           HB2      LYS   5  -3.640  -9.734  13.059
   29    HB3  LYS   5           HB1      LYS   5  -4.533  -9.414  11.579
   30    HG2  LYS   5           HG2      LYS   5  -4.234 -11.818  10.971
   31    HG3  LYS   5           HG1      LYS   5  -3.537 -12.074  12.571
   32    HD2  LYS   5           HD2      LYS   5  -5.851 -12.684  12.659
   33    HD3  LYS   5           HD1      LYS   5  -5.647 -11.176  13.553
   34    HE2  LYS   5           HE2      LYS   5  -6.433  -9.920  11.600
   35    HE3  LYS   5           HE1      LYS   5  -6.642 -11.427  10.713
   36    HZ1  LYS   5           HZ1      LYS   5  -8.289 -12.104  12.356
   37    HZ2  LYS   5           HZ2      LYS   5  -8.725 -10.646  11.621
   38    HZ3  LYS   5           HZ3      LYS   5  -8.090 -10.642  13.179
   39    H    LEU   6           HN       LEU   6  -3.743  -8.425   9.580
   40    HA   LEU   6           HA       LEU   6  -4.148 -10.301   7.560
   41    HB2  LEU   6           HB2      LEU   6  -4.050  -7.298   7.334
   42    HB3  LEU   6           HB1      LEU   6  -4.710  -8.381   6.127
   43    HG   LEU   6           HG       LEU   6  -5.790  -7.995   8.917
   44   HD11  LEU   6          HD11      LEU   6  -7.693  -6.957   7.795
   45   HD12  LEU   6          HD12      LEU   6  -6.869  -7.126   6.245
   46   HD13  LEU   6          HD13      LEU   6  -6.197  -6.073   7.491
   47   HD21  LEU   6          HD21      LEU   6  -6.169 -10.259   8.191
   48   HD22  LEU   6          HD22      LEU   6  -6.758  -9.697   6.627
   49   HD23  LEU   6          HD23      LEU   6  -7.683  -9.358   8.091
   50    H    THR   7           HN       THR   7  -1.363  -8.261   8.168
   51    HA   THR   7           HA       THR   7  -0.042  -9.503   5.938
   52    HB   THR   7           HB       THR   7   0.077  -6.512   6.356
   53    HG1  THR   7           HG1      THR   7  -1.928  -6.785   5.536
   54   HG21  THR   7          HG21      THR   7   1.142  -6.540   4.142
   55   HG22  THR   7          HG22      THR   7   0.994  -8.297   4.092
   56   HG23  THR   7          HG23      THR   7   2.041  -7.535   5.288
   57    H    ALA   8           HN       ALA   8   1.369 -10.537   7.529
   58    HA   ALA   8           HA       ALA   8   2.633  -9.057   9.618
   59    HB1  ALA   8           HB1      ALA   8   2.239 -11.490   9.819
   60    HB2  ALA   8           HB2      ALA   8   3.935 -11.070  10.035
   61    HB3  ALA   8           HB3      ALA   8   3.397 -11.774   8.516
   62    H    ASP   9           HN       ASP   9   3.181  -9.541   6.371
   63    HA   ASP   9           HA       ASP   9   6.000  -9.194   6.141
   64    HB2  ASP   9           HB2      ASP   9   4.736  -9.898   4.171
   65    HB3  ASP   9           HB1      ASP   9   3.818  -8.395   4.180
   66    H    ALA  10           HN       ALA  10   3.326  -6.985   6.443
   67    HA   ALA  10           HA       ALA  10   4.651  -4.554   6.045
   68    HB1  ALA  10           HB1      ALA  10   2.848  -3.512   7.300
   69    HB2  ALA  10           HB2      ALA  10   2.340  -5.074   7.928
   70    HB3  ALA  10           HB3      ALA  10   2.202  -4.724   6.202
   71    H    GLU  11           HN       GLU  11   4.513  -6.620   8.892
   72    HA   GLU  11           HA       GLU  11   5.687  -4.712  10.672
   73    HB2  GLU  11           HB2      GLU  11   5.474  -7.731  10.870
   74    HB3  GLU  11           HB1      GLU  11   6.077  -6.692  12.149
   75    HG2  GLU  11           HG2      GLU  11   3.289  -6.600  11.002
   76    HG3  GLU  11           HG1      GLU  11   3.760  -7.351  12.522
   77    H    LEU  12           HN       LEU  12   6.839  -7.324   8.653
   78    HA   LEU  12           HA       LEU  12   9.550  -7.318   9.354
   79    HB2  LEU  12           HB2      LEU  12   8.138  -7.979   6.764
   80    HB3  LEU  12           HB1      LEU  12   9.877  -8.000   6.874
   81    HG   LEU  12           HG       LEU  12   9.880  -9.849   8.365
   82   HD11  LEU  12          HD11      LEU  12   7.870 -10.840   9.302
   83   HD12  LEU  12          HD12      LEU  12   6.886  -9.583   8.554
   84   HD13  LEU  12          HD13      LEU  12   8.038  -9.163   9.821
   85   HD21  LEU  12          HD21      LEU  12   9.494 -10.409   6.040
   86   HD22  LEU  12          HD22      LEU  12   7.753 -10.255   6.280
   87   HD23  LEU  12          HD23      LEU  12   8.645 -11.540   7.098
   88    H    GLN  13           HN       GLN  13   7.774  -5.427   6.957
   89    HA   GLN  13           HA       GLN  13   9.900  -3.980   5.880
   90    HB2  GLN  13           HB2      GLN  13   7.022  -3.144   6.268
   91    HB3  GLN  13           HB1      GLN  13   8.190  -2.256   5.302
   92    HG2  GLN  13           HG2      GLN  13   7.288  -5.081   4.803
   93    HG3  GLN  13           HG1      GLN  13   6.753  -3.648   3.923
   94   HE21  GLN  13          HE21      GLN  13   8.186  -2.618   2.534
   95   HE22  GLN  13          HE22      GLN  13   9.605  -3.400   1.933
   96    H    ARG  14           HN       ARG  14   7.893  -3.292   8.706
   97    HA   ARG  14           HA       ARG  14   8.978  -0.789   9.342
   98    HB2  ARG  14           HB2      ARG  14   7.858  -2.909  11.187
   99    HB3  ARG  14           HB1      ARG  14   8.241  -1.269  11.678
  100    HG2  ARG  14           HG2      ARG  14   6.598  -0.438  10.026
  101    HG3  ARG  14           HG1      ARG  14   6.158  -2.114   9.684
  102    HD2  ARG  14           HD2      ARG  14   5.416  -2.449  11.934
  103    HD3  ARG  14           HD1      ARG  14   6.054  -0.882  12.428
  104    HE   ARG  14           HE       ARG  14   3.782  -1.245  10.590
  105   HH11  ARG  14          HH11      ARG  14   5.387   0.499  13.180
  106   HH12  ARG  14          HH12      ARG  14   4.176   1.728  13.275
  107   HH21  ARG  14          HH21      ARG  14   2.152   0.382  10.743
  108   HH22  ARG  14          HH22      ARG  14   2.337   1.660  11.895
  109    H    LEU  15           HN       LEU  15   9.952  -4.018  10.302
  110    HA   LEU  15           HA       LEU  15  12.103  -3.208  11.969
  111    HB2  LEU  15           HB2      LEU  15  11.132  -5.421  12.168
  112    HB3  LEU  15           HB1      LEU  15  11.623  -5.826  10.538
  113    HG   LEU  15           HG       LEU  15  14.001  -5.629  11.262
  114   HD11  LEU  15          HD11      LEU  15  14.488  -5.656  13.660
  115   HD12  LEU  15          HD12      LEU  15  12.778  -5.399  14.006
  116   HD13  LEU  15          HD13      LEU  15  13.705  -4.156  13.166
  117   HD21  LEU  15          HD21      LEU  15  12.899  -7.790  11.121
  118   HD22  LEU  15          HD22      LEU  15  12.298  -7.604  12.768
  119   HD23  LEU  15          HD23      LEU  15  14.031  -7.752  12.473
  120    H    LYS  16           HN       LYS  16  12.035  -4.389   8.619
  121    HA   LYS  16           HA       LYS  16  14.758  -4.263   8.051
  122    HB2  LYS  16           HB2      LYS  16  12.390  -3.841   6.212
  123    HB3  LYS  16           HB1      LYS  16  14.043  -4.056   5.663
  124    HG2  LYS  16           HG2      LYS  16  14.111  -6.292   6.367
  125    HG3  LYS  16           HG1      LYS  16  12.678  -6.106   7.377
  126    HD2  LYS  16           HD2      LYS  16  12.182  -7.353   5.315
  127    HD3  LYS  16           HD1      LYS  16  11.287  -5.836   5.390
  128    HE2  LYS  16           HE2      LYS  16  12.991  -4.805   3.924
  129    HE3  LYS  16           HE1      LYS  16  13.801  -6.365   3.809
  130    HZ1  LYS  16           HZ1      LYS  16  12.361  -5.924   1.904
  131    HZ2  LYS  16           HZ2      LYS  16  11.015  -5.817   2.924
  132    HZ3  LYS  16           HZ3      LYS  16  11.836  -7.285   2.761
  133    H    ASN  17           HN       ASN  17  12.284  -1.768   7.690
  134    HA   ASN  17           HA       ASN  17  14.069   0.114   6.470
  135    HB2  ASN  17           HB2      ASN  17  11.610   0.198   6.104
  136    HB3  ASN  17           HB1      ASN  17  11.397   0.680   7.786
  137   HD21  ASN  17          HD21      ASN  17  12.466   1.643   4.637
  138   HD22  ASN  17          HD22      ASN  17  12.584   3.329   4.980
  139    H    GLU  18           HN       GLU  18  12.745  -0.222   9.746
  140    HA   GLU  18           HA       GLU  18  13.884   2.121  10.778
  141    HB2  GLU  18           HB2      GLU  18  12.068   0.909  11.888
  142    HB3  GLU  18           HB1      GLU  18  13.172  -0.409  12.256
  143    HG2  GLU  18           HG2      GLU  18  14.479   1.029  13.679
  144    HG3  GLU  18           HG1      GLU  18  13.480   2.415  13.243
  145    H    ARG  19           HN       ARG  19  15.097  -1.245  10.904
  146    HA   ARG  19           HA       ARG  19  17.398  -0.545  12.385
  147    HB2  ARG  19           HB2      ARG  19  18.243  -2.739  11.953
  148    HB3  ARG  19           HB1      ARG  19  16.510  -2.884  12.180
  149    HG2  ARG  19           HG2      ARG  19  16.228  -3.024   9.738
  150    HG3  ARG  19           HG1      ARG  19  17.982  -2.934   9.552
  151    HD2  ARG  19           HD2      ARG  19  18.107  -4.954  11.074
  152    HD3  ARG  19           HD1      ARG  19  16.363  -5.099  10.871
  153    HE   ARG  19           HE       ARG  19  17.422  -4.958   8.326
  154   HH11  ARG  19          HH11      ARG  19  17.644  -7.106  11.102
  155   HH12  ARG  19          HH12      ARG  19  18.070  -8.488  10.153
  156   HH21  ARG  19          HH21      ARG  19  17.983  -6.827   7.067
  157   HH22  ARG  19          HH22      ARG  19  18.257  -8.333   7.873
  158    H    HIS  20           HN       HIS  20  16.818  -0.822   8.919
  159    HA   HIS  20           HA       HIS  20  19.429  -0.264   8.053
  160    HB2  HIS  20           HB2      HIS  20  17.581  -1.016   6.528
  161    HB3  HIS  20           HB1      HIS  20  16.879   0.596   6.646
  162    HD1  HIS  20           HD1      HIS  20  17.792   2.352   5.097
  163    HD2  HIS  20           HD2      HIS  20  20.101  -1.101   5.149
  164    HE1  HIS  20           HE1      HIS  20  19.458   2.637   3.245
  165    H    GLU  21           HN       GLU  21  16.793   1.903   8.948
  166    HA   GLU  21           HA       GLU  21  18.110   4.329   8.303
  167    HB2  GLU  21           HB2      GLU  21  15.663   4.213   8.714
  168    HB3  GLU  21           HB1      GLU  21  15.973   3.866  10.410
  169    HG2  GLU  21           HG2      GLU  21  17.060   6.054  10.634
  170    HG3  GLU  21           HG1      GLU  21  16.680   6.396   8.947
  171    H    GLU  22           HN       GLU  22  17.973   2.381  11.230
  172    HA   GLU  22           HA       GLU  22  19.468   4.142  12.859
  173    HB2  GLU  22           HB2      GLU  22  19.125   1.135  13.052
  174    HB3  GLU  22           HB1      GLU  22  19.951   2.107  14.255
  175    HG2  GLU  22           HG2      GLU  22  17.905   3.336  14.698
  176    HG3  GLU  22           HG1      GLU  22  17.058   2.407  13.465
  177    H    ALA  23           HN       ALA  23  20.493   1.240  11.018
  178    HA   ALA  23           HA       ALA  23  23.222   1.470  11.355
  179    HB1  ALA  23           HB1      ALA  23  23.475   0.212   9.271
  180    HB2  ALA  23           HB2      ALA  23  21.797   0.532   8.855
  181    HB3  ALA  23           HB3      ALA  23  22.186  -0.463  10.262
  182    H    GLU  24           HN       GLU  24  21.178   3.562   9.596
  183    HA   GLU  24           HA       GLU  24  23.293   4.663   7.955
  184    HB2  GLU  24           HB2      GLU  24  21.015   4.782   7.083
  185    HB3  GLU  24           HB1      GLU  24  20.495   5.716   8.480
  186    HG2  GLU  24           HG2      GLU  24  21.911   7.552   7.825
  187    HG3  GLU  24           HG1      GLU  24  22.544   6.614   6.476
  188    H    LEU  25           HN       LEU  25  21.431   5.701  10.792
  189    HA   LEU  25           HA       LEU  25  22.851   8.051  11.351
  190    HB2  LEU  25           HB2      LEU  25  20.742   7.438  12.453
  191    HB3  LEU  25           HB1      LEU  25  21.544   6.113  13.271
  192    HG   LEU  25           HG       LEU  25  22.948   7.754  14.490
  193   HD11  LEU  25          HD11      LEU  25  22.888   9.584  12.901
  194   HD12  LEU  25          HD12      LEU  25  22.291  10.114  14.473
  195   HD13  LEU  25          HD13      LEU  25  21.154   9.782  13.166
  196   HD21  LEU  25          HD21      LEU  25  20.921   6.862  15.505
  197   HD22  LEU  25          HD22      LEU  25  19.970   8.148  14.762
  198   HD23  LEU  25          HD23      LEU  25  21.177   8.539  15.985
  199    H    GLU  26           HN       GLU  26  23.417   4.749  12.193
  200    HA   GLU  26           HA       GLU  26  25.654   4.983  13.884
  201    HB2  GLU  26           HB2      GLU  26  24.920   2.819  11.910
  202    HB3  GLU  26           HB1      GLU  26  26.301   2.687  12.986
  203    HG2  GLU  26           HG2      GLU  26  23.531   3.177  14.035
  204    HG3  GLU  26           HG1      GLU  26  24.129   1.559  13.688
  205    H    ARG  27           HN       ARG  27  25.415   4.955  10.389
  206    HA   ARG  27           HA       ARG  27  28.256   5.138   9.950
  207    HB2  ARG  27           HB2      ARG  27  25.896   5.448   8.093
  208    HB3  ARG  27           HB1      ARG  27  27.555   5.670   7.579
  209    HG2  ARG  27           HG2      ARG  27  28.096   3.407   8.125
  210    HG3  ARG  27           HG1      ARG  27  26.490   3.151   8.808
  211    HD2  ARG  27           HD2      ARG  27  25.458   3.225   6.729
  212    HD3  ARG  27           HD1      ARG  27  26.818   4.055   5.975
  213    HE   ARG  27           HE       ARG  27  27.791   2.048   5.565
  214   HH11  ARG  27          HH11      ARG  27  25.276   1.553   7.971
  215   HH12  ARG  27          HH12      ARG  27  25.353  -0.175   7.890
  216   HH21  ARG  27          HH21      ARG  27  27.914  -0.247   5.469
  217   HH22  ARG  27          HH22      ARG  27  26.861  -1.190   6.459
  218    H    LEU  28           HN       LEU  28  25.577   7.354  10.136
  219    HA   LEU  28           HA       LEU  28  26.863   9.626   9.064
  220    HB2  LEU  28           HB2      LEU  28  24.429   9.542   9.400
  221    HB3  LEU  28           HB1      LEU  28  24.653   9.511  11.138
  222    HG   LEU  28           HG       LEU  28  25.644  11.776  11.013
  223   HD11  LEU  28          HD11      LEU  28  24.777  11.651   8.132
  224   HD12  LEU  28          HD12      LEU  28  26.440  11.695   8.712
  225   HD13  LEU  28          HD13      LEU  28  25.378  13.078   8.975
  226   HD21  LEU  28          HD21      LEU  28  23.284  11.447  11.541
  227   HD22  LEU  28          HD22      LEU  28  22.890  11.502   9.823
  228   HD23  LEU  28          HD23      LEU  28  23.535  12.934  10.626
  229    H    LYS  29           HN       LYS  29  26.507   8.514  12.389
  230    HA   LYS  29           HA       LYS  29  28.008  10.548  13.620
  231    HB2  LYS  29           HB2      LYS  29  27.535   7.692  14.488
  232    HB3  LYS  29           HB1      LYS  29  28.315   8.906  15.487
  233    HG2  LYS  29           HG2      LYS  29  26.310  10.245  15.507
  234    HG3  LYS  29           HG1      LYS  29  25.515   9.114  14.406
  235    HD2  LYS  29           HD2      LYS  29  25.563   7.377  16.050
  236    HD3  LYS  29           HD1      LYS  29  26.579   8.344  17.120
  237    HE2  LYS  29           HE2      LYS  29  23.761   9.033  16.291
  238    HE3  LYS  29           HE1      LYS  29  24.220   8.305  17.831
  239    HZ1  LYS  29           HZ1      LYS  29  25.541  10.275  18.321
  240    HZ2  LYS  29           HZ2      LYS  29  23.930  10.689  18.039
  241    HZ3  LYS  29           HZ3      LYS  29  25.087  10.971  16.852
  242    H    SER  30           HN       SER  30  29.055   7.220  12.796
  243    HA   SER  30           HA       SER  30  31.713   7.523  13.454
  244    HB2  SER  30           HB2      SER  30  32.080   5.647  11.761
  245    HB3  SER  30           HB1      SER  30  30.929   5.330  13.059
  246    HG   SER  30           HG       SER  30  29.325   5.332  11.671
  247    H    GLU  31           HN       GLU  31  30.173   8.103  10.293
  248    HA   GLU  31           HA       GLU  31  32.496   8.791   8.901
  249    HB2  GLU  31           HB2      GLU  31  30.442   8.366   7.715
  250    HB3  GLU  31           HB1      GLU  31  29.653   9.723   8.506
  251    HG2  GLU  31           HG2      GLU  31  31.174  11.264   7.372
  252    HG3  GLU  31           HG1      GLU  31  31.953   9.898   6.574
  253    H    ARG  32           HN       ARG  32  30.162  10.913  10.563
  254    HA   ARG  32           HA       ARG  32  31.447  13.320  10.036
  255    HB2  ARG  32           HB2      ARG  32  29.144  12.926  11.076
  256    HB3  ARG  32           HB1      ARG  32  29.989  12.782  12.612
  257    HG2  ARG  32           HG2      ARG  32  30.945  15.054  12.213
  258    HG3  ARG  32           HG1      ARG  32  29.892  15.184  10.803
  259    HD2  ARG  32           HD2      ARG  32  29.101  14.919  13.691
  260    HD3  ARG  32           HD1      ARG  32  28.794  16.274  12.611
  261    HE   ARG  32           HE       ARG  32  27.483  13.636  12.466
  262   HH11  ARG  32          HH11      ARG  32  27.511  17.063  11.688
  263   HH12  ARG  32          HH12      ARG  32  25.857  17.089  11.190
  264   HH21  ARG  32          HH21      ARG  32  25.299  13.679  11.808
  265   HH22  ARG  32          HH22      ARG  32  24.596  15.154  11.241
  266    H    HIS  33           HN       HIS  33  31.934  11.084  12.744
  267    HA   HIS  33           HA       HIS  33  33.830  12.795  14.040
  268    HB2  HIS  33           HB2      HIS  33  32.431  11.054  15.210
  269    HB3  HIS  33           HB1      HIS  33  33.459   9.827  14.478
  270    HD1  HIS  33           HD1      HIS  33  35.478   9.185  15.787
  271    HD2  HIS  33           HD2      HIS  33  33.962  12.871  16.961
  272    HE1  HIS  33           HE1      HIS  33  36.842   9.863  17.782
  273    H    ASP  34           HN       ASP  34  33.994  10.299  11.650
  274    HA   ASP  34           HA       ASP  34  36.888  10.050  11.835
  275    HB2  ASP  34           HB2      ASP  34  35.432   8.094  11.235
  276    HB3  ASP  34           HB1      ASP  34  35.025   8.907   9.728
  277    H    HIS  35           HN       HIS  35  34.734  12.134  10.480
  278    HA   HIS  35           HA       HIS  35  35.904  12.759   7.958
  279    HB2  HIS  35           HB2      HIS  35  33.544  13.403   8.781
  280    HB3  HIS  35           HB1      HIS  35  34.324  14.723   9.641
  281    HD2  HIS  35           HD2      HIS  35  35.397  16.755   7.917
  282    HE1  HIS  35           HE1      HIS  35  33.206  15.436   4.538
  283    HE2  HIS  35           HE2      HIS  35  34.471  17.341   5.570
  284    H    ASP  36           HN       ASP  36  37.022  13.238  11.054
  285    HA   ASP  36           HA       ASP  36  38.462  15.683  10.624
  286    HB2  ASP  36           HB2      ASP  36  38.716  13.572  12.782
  287    HB3  ASP  36           HB1      ASP  36  39.690  15.031  12.725
  288    H    LYS  37           HN       LYS  37  38.877  12.527   9.569
  289    HA   LYS  37           HA       LYS  37  41.577  13.195   8.699
  290    HB2  LYS  37           HB2      LYS  37  41.829  11.810  10.732
  291    HB3  LYS  37           HB1      LYS  37  40.903  10.532   9.962
  292    HG2  LYS  37           HG2      LYS  37  42.611  10.327   8.233
  293    HG3  LYS  37           HG1      LYS  37  43.534  11.619   8.996
  294    HD2  LYS  37           HD2      LYS  37  43.653  10.224  11.058
  295    HD3  LYS  37           HD1      LYS  37  42.883   8.919  10.158
  296    HE2  LYS  37           HE2      LYS  37  45.322   8.670  10.221
  297    HE3  LYS  37           HE1      LYS  37  44.721   8.879   8.579
  298    HZ1  LYS  37           HZ1      LYS  37  45.883  11.058  10.235
  299    HZ2  LYS  37           HZ2      LYS  37  45.410  11.166   8.615
  300    HZ3  LYS  37           HZ3      LYS  37  46.718  10.198   9.046
  301    H    LYS  38           HN       LYS  38  38.977  10.752   8.461
  302    HA   LYS  38           HA       LYS  38  39.504  10.669   5.570
  303    HB2  LYS  38           HB2      LYS  38  38.675   8.380   7.369
  304    HB3  LYS  38           HB1      LYS  38  38.757   8.298   5.616
  305    HG2  LYS  38           HG2      LYS  38  41.159   8.689   5.686
  306    HG3  LYS  38           HG1      LYS  38  41.092   8.844   7.443
  307    HD2  LYS  38           HD2      LYS  38  40.302   6.538   7.613
  308    HD3  LYS  38           HD1      LYS  38  40.365   6.380   5.858
  309    HE2  LYS  38           HE2      LYS  38  42.716   6.958   7.659
  310    HE3  LYS  38           HE1      LYS  38  42.317   5.380   6.982
  311    HZ1  LYS  38           HZ1      LYS  38  43.994   6.399   5.657
  312    HZ2  LYS  38           HZ2      LYS  38  43.093   7.815   5.476
  313    HZ3  LYS  38           HZ3      LYS  38  42.563   6.379   4.751
  314    H    GLU  39           HN       GLU  39  37.917  11.806   4.725
  315    HA   GLU  39           HA       GLU  39  35.349  12.026   5.959
  316    HB2  GLU  39           HB2      GLU  39  34.735  13.493   4.155
  317    HB3  GLU  39           HB1      GLU  39  36.358  13.887   4.687
  318    HG2  GLU  39           HG2      GLU  39  37.300  12.790   2.736
  319    HG3  GLU  39           HG1      GLU  39  35.695  12.248   2.248
  320    H    ALA  40           HN       ALA  40  36.608  10.161   3.274
  321    HA   ALA  40           HA       ALA  40  34.110   8.642   3.206
  322    HB1  ALA  40           HB1      ALA  40  33.856  10.393   1.523
  323    HB2  ALA  40           HB2      ALA  40  33.938   8.790   0.794
  324    HB3  ALA  40           HB3      ALA  40  35.341   9.856   0.737
  325    H    GLU  41           HN       GLU  41  36.136   7.375   4.368
  326    HA   GLU  41           HA       GLU  41  36.985   5.439   2.480
  327    HB2  GLU  41           HB2      GLU  41  38.730   7.233   2.255
  328    HB3  GLU  41           HB1      GLU  41  39.112   7.006   3.955
  329    HG2  GLU  41           HG2      GLU  41  39.722   4.679   3.497
  330    HG3  GLU  41           HG1      GLU  41  39.367   4.934   1.789
  331    H    ARG  42           HN       ARG  42  35.844   4.070   3.764
  332    HA   ARG  42           HA       ARG  42  37.113   3.274   6.201
  333    HB2  ARG  42           HB2      ARG  42  34.215   4.030   5.884
  334    HB3  ARG  42           HB1      ARG  42  34.740   2.899   7.120
  335    HG2  ARG  42           HG2      ARG  42  35.923   4.525   8.277
  336    HG3  ARG  42           HG1      ARG  42  35.977   5.609   6.886
  337    HD2  ARG  42           HD2      ARG  42  33.467   4.854   8.367
  338    HD3  ARG  42           HD1      ARG  42  34.400   6.319   8.670
  339    HE   ARG  42           HE       ARG  42  32.727   5.743   6.361
  340   HH11  ARG  42          HH11      ARG  42  35.174   7.824   7.795
  341   HH12  ARG  42          HH12      ARG  42  34.782   9.189   6.817
  342   HH21  ARG  42          HH21      ARG  42  32.212   7.559   5.022
  343   HH22  ARG  42          HH22      ARG  42  33.086   9.038   5.223
  344    H    LYS  43           HN       LYS  43  37.431   1.353   6.045
  345    HA   LYS  43           HA       LYS  43  36.383  -0.379   4.000
  346    HB2  LYS  43           HB2      LYS  43  38.237  -1.027   6.300
  347    HB3  LYS  43           HB1      LYS  43  37.917  -2.057   4.915
  348    HG2  LYS  43           HG2      LYS  43  38.931  -0.395   3.437
  349    HG3  LYS  43           HG1      LYS  43  39.233   0.654   4.823
  350    HD2  LYS  43           HD2      LYS  43  40.700  -1.018   5.795
  351    HD3  LYS  43           HD1      LYS  43  40.348  -2.126   4.472
  352    HE2  LYS  43           HE2      LYS  43  41.339  -0.545   2.888
  353    HE3  LYS  43           HE1      LYS  43  41.693   0.560   4.216
  354    HZ1  LYS  43           HZ1      LYS  43  42.793  -2.182   3.911
  355    HZ2  LYS  43           HZ2      LYS  43  43.141  -1.118   5.174
  356    HZ3  LYS  43           HZ3      LYS  43  43.631  -0.747   3.602
  357    H    ALA  44           HN       ALA  44  35.602   0.352   7.224
  358    HA   ALA  44           HA       ALA  44  34.501  -2.204   7.948
  359    HB1  ALA  44           HB1      ALA  44  34.020   0.475   9.266
  360    HB2  ALA  44           HB2      ALA  44  35.329  -0.640   9.669
  361    HB3  ALA  44           HB3      ALA  44  33.653  -1.110   9.940
  362    H    LEU  45           HN       LEU  45  33.213   0.772   6.566
  363    HA   LEU  45           HA       LEU  45  30.491  -0.179   6.808
  364    HB2  LEU  45           HB2      LEU  45  31.566   2.317   5.499
  365    HB3  LEU  45           HB1      LEU  45  29.882   1.972   5.844
  366    HG   LEU  45           HG       LEU  45  32.060   2.454   7.874
  367   HD11  LEU  45          HD11      LEU  45  31.373   4.491   6.825
  368   HD12  LEU  45          HD12      LEU  45  30.683   4.428   8.447
  369   HD13  LEU  45          HD13      LEU  45  29.675   4.085   7.043
  370   HD21  LEU  45          HD21      LEU  45  30.558   0.814   8.767
  371   HD22  LEU  45          HD22      LEU  45  29.156   1.743   8.250
  372   HD23  LEU  45          HD23      LEU  45  30.201   2.365   9.529
  373    H    GLU  46           HN       GLU  46  33.009  -0.469   4.706
  374    HA   GLU  46           HA       GLU  46  31.372  -0.633   2.273
  375    HB2  GLU  46           HB2      GLU  46  33.672   0.429   2.204
  376    HB3  GLU  46           HB1      GLU  46  34.342  -1.177   2.473
  377    HG2  GLU  46           HG2      GLU  46  33.212  -1.943   0.409
  378    HG3  GLU  46           HG1      GLU  46  32.682  -0.285   0.126
  379    H    ASP  47           HN       ASP  47  32.767  -2.569   4.695
  380    HA   ASP  47           HA       ASP  47  33.146  -5.021   3.400
  381    HB2  ASP  47           HB2      ASP  47  34.054  -4.737   5.603
  382    HB3  ASP  47           HB1      ASP  47  32.460  -4.439   6.290
  383    H    LYS  48           HN       LYS  48  30.188  -3.647   4.783
  384    HA   LYS  48           HA       LYS  48  28.764  -5.813   3.518
  385    HB2  LYS  48           HB2      LYS  48  29.114  -6.461   5.886
  386    HB3  LYS  48           HB1      LYS  48  28.297  -4.997   6.403
  387    HG2  LYS  48           HG2      LYS  48  26.222  -5.765   5.465
  388    HG3  LYS  48           HG1      LYS  48  27.016  -7.183   4.779
  389    HD2  LYS  48           HD2      LYS  48  26.888  -6.586   7.735
  390    HD3  LYS  48           HD1      LYS  48  25.750  -7.633   6.892
  391    HE2  LYS  48           HE2      LYS  48  28.736  -8.046   7.038
  392    HE3  LYS  48           HE1      LYS  48  27.542  -8.887   8.020
  393    HZ1  LYS  48           HZ1      LYS  48  28.266 -10.189   6.113
  394    HZ2  LYS  48           HZ2      LYS  48  27.682  -9.009   5.056
  395    HZ3  LYS  48           HZ3      LYS  48  26.613  -9.863   6.049
  396    H    LEU  49           HN       LEU  49  26.342  -5.168   3.133
  397    HA   LEU  49           HA       LEU  49  26.213  -2.443   2.375
  398    HB2  LEU  49           HB2      LEU  49  25.062  -4.358   1.183
  399    HB3  LEU  49           HB1      LEU  49  23.928  -4.442   2.516
  400    HG   LEU  49           HG       LEU  49  23.132  -3.286   0.414
  401   HD11  LEU  49          HD11      LEU  49  23.042  -1.704   2.973
  402   HD12  LEU  49          HD12      LEU  49  21.946  -3.003   2.501
  403   HD13  LEU  49          HD13      LEU  49  21.963  -1.491   1.594
  404   HD21  LEU  49          HD21      LEU  49  25.156  -2.058  -0.121
  405   HD22  LEU  49          HD22      LEU  49  25.002  -1.124   1.366
  406   HD23  LEU  49          HD23      LEU  49  23.799  -0.954   0.091
  407    H    ALA  50           HN       ALA  50  24.141  -4.247   4.649
  408    HA   ALA  50           HA       ALA  50  23.240  -1.772   5.815
  409    HB1  ALA  50           HB1      ALA  50  21.713  -3.684   5.573
  410    HB2  ALA  50           HB2      ALA  50  21.863  -3.174   7.254
  411    HB3  ALA  50           HB3      ALA  50  22.711  -4.613   6.691
  412    H    ASP  51           HN       ASP  51  25.463  -4.329   6.559
  413    HA   ASP  51           HA       ASP  51  26.819  -4.816   8.333
  414    HB2  ASP  51           HB2      ASP  51  28.013  -2.943   7.222
  415    HB3  ASP  51           HB1      ASP  51  27.236  -1.825   8.340
  416    H    TYR  52           HN       TYR  52  25.569  -5.622   9.942
  417    HA   TYR  52           HA       TYR  52  24.188  -3.762  11.691
  418    HB2  TYR  52           HB2      TYR  52  23.069  -5.796  10.645
  419    HB3  TYR  52           HB1      TYR  52  24.095  -6.784  11.672
  420    HD1  TYR  52           HD1      TYR  52  21.431  -4.210  11.718
  421    HD2  TYR  52           HD2      TYR  52  23.494  -7.211  13.915
  422    HE1  TYR  52           HE1      TYR  52  19.749  -4.053  13.499
  423    HE2  TYR  52           HE2      TYR  52  21.818  -7.059  15.706
  424    HH   TYR  52           HH       TYR  52  20.185  -5.368  16.556