*HEADER    STRUCTURAL PROTEIN                      03-NOV-14   2MWC              
*TITLE     SOLUTION STRUCTURE OF HUMAN OBSCURIN IG58                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OBSCURIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 4337-4429;                                    
*COMPND   5 SYNONYM: OBSCURIN-RHOGEF, OBSCURIN-MYOSIN LIGHT CHAIN KINASE,        
*COMPND   6 OBSCURIN-MLCK;                                                       
*COMPND   7 EC: 2.7.11.1;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: OBSCN, KIAA1556, KIAA1639;                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET24A                                     
*KEYWDS    IG-LIKE, STRUCTURAL PROTEIN                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.T.WRIGHT, L.C.MEYER                                                 
*REVDAT   1   09-DEC-15 2MWC    0                                                


!a2
assign (resid 2 and name ha and segid="sam1") (resid 2 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 2 and name hb# and segid="sam1") (resid 2 and name hn and segid="sam1") 1.8 0 4.2
!k3
assign (resid 3 and name ha and segid="sam1") (resid 3 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 3 and name hb# and segid="sam1") (resid 3 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 3 and name hd# and segid="sam1") (resid 3 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 3 and name hg# and segid="sam1") (resid 3 and name hn and segid="sam1") 1.8 0 4.2 
!n4
assign (resid 4 and name ha and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 4 and name hb# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2   
assign (resid 4 and name hb# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
!t5
assign (resid 5 and name ha and segid="sam1") (resid 5 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 5 and name hb and segid="sam1") (resid 5 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 5 and name hg2# and segid="sam1") (resid 5 and name hn and segid="sam1") 1.8 0 4.2
!v6
assign (resid 6 and name ha and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 6 and name hb and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 6 and name hg1# and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 6 and name hg2# and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 4.2
!v7
assign (resid 7 and name ha and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 7 and name hb# and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 7 and name hg1# and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 7 and name hg2# and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 4.2
!r8
assign (resid 8 and name ha and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 3.
assign (resid 8 and name hb## and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 8 and name hd## and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 4.2
!9
assign (resid 9 and name ha# and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 3.2
!L10 
assign (resid 10 and name ha and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hb# and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd1# and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd2# and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hg# and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 4.2  
!e11
assign (resid 11 and name ha and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 11 and name hb# and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 11 and name hg# and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 4.2
!n12
assign (resid 12 and name ha and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 12 and name hb# and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name ha and segid="sam1") (resid 13 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 13 and name hb and segid="sam1") (resid 13 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name hg1# and segid="sam1") (resid 13 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name hg2# and segid="sam1") (resid 13 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 14 and name ha and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 14 and name hb## and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 14 and name hg## and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 15 and name ha and segid="sam1") (resid 15 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 15 and name hb# and segid="sam1") (resid 15 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 16 and name ha and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 16 and name hb# and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 16 and name hg and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 16 and name hd1# and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 16 and name hd2# and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 17 and name ha and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 17 and name hb## and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 18 and name ha# and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 19 and name ha# and segid="sam1") (resid 19 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 20 and name ha and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 20 and name hb## and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 20 and name hg## and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 4.2
!a21
assign (resid 21 and name ha and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 21 and name hb# and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 4.2
!L22
assign (resid 22 and name ha and segid="sam1") (resid 22 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 22 and name hb# and segid="sam1") (resid 22 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 22 and name hd1# and segid="sam1") (resid 22 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 22 and name hd2# and segid="sam1") (resid 22 and name hn and segid="sam1") 1.8 0 4.2
!f23
assign (resid 23 and name ha and segid="sam1") (resid 23 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 23 and name hb# and segid="sam1") (resid 23 and name hn and segid="sam1") 1.8 0 4.2
!e24
assign (resid 24 and name ha and segid="sam1") (resid 24 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 24 and name hb# and segid="sam1") (resid 24 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 24 and name hg# and segid="sam1") (resid 24 and name hn and segid="sam1") 1.8 0 4.2
!c25
assign (resid 25 and name ha and segid="sam1") (resid 25 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 25 and name hb# and segid="sam1") (resid 25 and name hn and segid="sam1") 1.8 0 4.2
!q26
assign (resid 26 and name ha and segid="sam1") (resid 26 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 26 and name hb# and segid="sam1") (resid 26 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 26 and name hg# and segid="sam1") (resid 26 and name hn and segid="sam1") 1.8 0 4.2
!L27
assign (resid 27 and name ha and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 27 and name hb# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 27 and name hg# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 27 and name hd1# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 27 and name hd2# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 4.2
!s28
assign (resid 28 and name ha and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 28 and name hb# and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 4.2
!q29
assign (resid 29 and name ha and segid="sam1") (resid 29 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 29 and name hb# and segid="sam1") (resid 29 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 29 and name hg# and segid="sam1") (resid 29 and name hn and segid="sam1") 1.8 0 4.2
!p30
assign (resid 30 and name hb# and segid="sam1") (resid 30 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 30 and name hg# and segid="sam1") (resid 30 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 30 and name hd# and segid="sam1") (resid 30 and name ha and segid="sam1") 1.8 0 4.2
!e31
assign (resid 31 and name ha and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 31 and name hb# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 31 and name hg# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name ha and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 32 and name hb and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hg1# and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hg2# and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 4.2
!a33
assign (resid 33 and name ha and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 33 and name hb# and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 2.4
!a34
assign (resid 34 and name ha and segid="sam1") (resid 34 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 34 and name hb# and segid="sam1") (resid 34 and name hn and segid="sam1") 1.8 0 4.2
!H35
assign (resid 35 and name hb# and segid="sam1") (resid 35 and name ha and segid="sam1") 1.8 0 4.2
!t36
assign (resid 36 and name ha and segid="sam1") (resid 36 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 36 and name hb# and segid="sam1") (resid 36 and name hn and segid="sam1") 1.8 0 4.2
!w37
assign (resid 37 and name ha and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 37 and name hb# and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 4.2
!L38
assign (resid 38 and name ha and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 38 and name hb# and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hd2# and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hd1# and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hg# and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 4.2
!L39
!inter
assign (resid 39 and name ha and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 39 and name hb# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hg# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hd1# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hd2# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2

!d40
assign (resid 40 and name ha and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 40 and name hb# and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 4.2

!d41
!inter
assign (resid 41 and name ha and segid="sam1") (resid 41 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 41 and name hb# and segid="sam1") (resid 41 and name hn and segid="sam1") 1.8 0 4.2

!e42/35
!inter
assign (resid 42 and name ha and segid="sam1") (resid 42 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 42 and name hb# and segid="sam1") (resid 42 and name hn and segid="sam1") 1.8 0 4.2

!p43
!intra
assign (resid 43 and name hb# and segid="sam1") (resid 43 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 43 and name hg# and segid="sam1") (resid 43 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 43 and name hd# and segid="sam1") (resid 43 and name ha and segid="sam1") 1.8 0 4.2

!v44
!inter
assign (resid 44 and name ha and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hb# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hg1# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hg2# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2

!r45
!inter
assign (resid 45 and name ha and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 45 and name hb# and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hg# and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hd# and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 4.2

!t46
assign (resid 46 and name ha and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 46 and name hb and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 46 and name hg2# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2

!s47
!inter
assign (resid 47 and name ha and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 47 and name hb# and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 4.2

!e48
!inter
assign (resid 48 and name ha and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 48 and name hb# and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 48 and name hg# and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 4.2

!n49
!inter
assign (resid 49 and name ha and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 49 and name hb2# and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 49 and name hb# and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
!a50
assign (resid 50 and name ha and segid="sam1") (resid 50 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 50 and name hb# and segid="sam1") (resid 50 and name hn and segid="sam1") 1.8 0 4.2
!e51
!inter
assign (resid 51 and name ha and segid="sam1") (resid 51 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 51 and name hb# and segid="sam1") (resid 51 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 51 and name hg# and segid="sam1") (resid 51 and name hn and segid="sam1") 1.8 0 4.2

!v52
!inter
assign (resid 52 and name ha and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 52 and name hb and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 52 and name hg1# and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 52 and name hg2# and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 4.2

!v53
!inter
assign (resid 53 and name ha and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 53 and name hb and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg1# and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg2# and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 4.2

!f54
assign (resid 54 and name ha and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 54 and name hb# and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 4.2

!f55
assign (resid 55 and name ha and segid="sam1") (resid 55 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 55 and name hb# and segid="sam1") (resid 55 and name hn and segid="sam1") 1.8 0 4.2

!e56
!inter
assign (resid 56 and name ha and segid="sam1") (resid 56 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hb# and segid="sam1") (resid 56 and name hn and segid="sam1") 1.8 0 4.2

!n57
!inter
assign (resid 57 and name ha and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 57 and name hb# and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 4.2

!g58
assign (resid 58 and name ha# and segid="sam1") (resid 58 and name hn and segid="sam1") 1.8 0 3.2

!l59
assign (resid 59 and name ha and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 59 and name hb# and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 59 and name hg## and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 59 and name hd1# and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 59 and name hd2# and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 4.2

!r60
!inter
assign (resid 60 and name ha and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 60 and name hb# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 60 and name hg# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 60 and name hd# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 4.2

!h61
!inter
assign (resid 61 and name ha and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 61 and name hb# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 4.2

!L62
!inter
assign (resid 62 and name ha and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 62 and name hb# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 62 and name h# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 62 and name hd1# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 62 and name hd2# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 4.2

!L63
assign (resid 63 and name ha and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 63 and name hb# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name hg and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name hd1# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name hd2# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
!L64/9
assign (resid 64 and name ha and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 64 and name hb# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name hg# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name hd1# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name hd2# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
!L65
assign (resid 65 and name ha and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 65 and name hb# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hg# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hd1# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hd2# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
!K66
!intra
assign (resid 66 and name ha and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 66 and name hb# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 66 and name hg# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 66 and name hd# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 66 and name he# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
!N67
!intra
assign (resid 67 and name ha and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 67 and name hb## and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 3.2
!L68
!intra
assign (resid 68 and name ha and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hb# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hg# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd1# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd2# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
!R69
assign (resid 69 and name ha and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 69 and name hb# and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 69 and name hg## and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
!p70
assign (resid 69 and name hb# and segid="sam1") (resid 70 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 69 and name hg# and segid="sam1") (resid 70 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 69 and name ha and segid="sam1") (resid 70 and name hd# and segid="sam1") 1.8 0 4.2
!q71
assign (resid 70 and name hg# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 70 and name hd# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 70 and name hd2# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 2.4
assign (resid 72 and name ha and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 72 and name hn and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 4.2
!d72
!intra
assign (resid 72 and name ha and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 72 and name hb# and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
!s73/72
assign (resid 73 and name ha and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 73 and name hb# and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 3.2
!c74
!inter
assign (resid 74 and name ha and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 74 and name hb# and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 4.
!r75
assign (resid 75 and name ha and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 75 and name hb# and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 75 and name hg# and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 75 and name hd# and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
!v76
!intra
assign (resid 76 and name ha and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 76 and name hb and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name hg# and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name hg# and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
!t77
!intra
assign (resid 77 and name ha and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 77 and name hb and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 77 and name hg2# and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
!f78
assign (resid 78 and name ha and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 78 and name hb# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 4.2
!L79
assign (resid 79 and name ha and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 79 and name hb# and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name hg and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name hd1# and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name hd2# and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
!a80
assign (resid 80 and name ha and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 80 and name hb# and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 81 and name ha# and segid="sam1") (resid 81 and name hn and segid="sam1") 1.8 0 3.2
!d82
assign (resid 82 and name ha and segid="sam1") (resid 82 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 82 and name hb# and segid="sam1") (resid 82 and name hn and segid="sam1") 1.8 0 4.2
!m83
assign (resid 83 and name ha and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 83 and name hb# and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 83 and name hg## and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 83 and name he# and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 4.2
!v84
assign (resid 84 and name ha and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 84 and name hb# and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 84 and name hg1# and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 84 and name hg2# and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
!t85
assign (resid 85 and name ha and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 85 and name hb and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 85 and name hg2# and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 4.2
!s86
!intra
assign (resid 86 and name ha and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 86 and name hb# and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 4.2
!a87
assign (resid 87 and name ha and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 87 and name hb# and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
!f88
assign (resid 88 and name ha and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 88 and name hb# and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 4.2
!l89
!intra
assign (resid 89 and name ha and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 89 and name hb# and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 89 and name hg# and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 89 and name hd1# and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 89 and name hd2# and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
!t90
!intra
assign (resid 90 and name ha and segid="sam1") (resid 90 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 90 and name hb# and segid="sam1") (resid 90 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 90 and name hg2# and segid="sam1") (resid 90 and name hn and segid="sam1") 1.8 0 4.2
!v91
assign (resid 91 and name ha and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 91 and name hb and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg1# and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg2# and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 4.2
!r92
assign (resid 92 and name ha and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 92 and name hb# and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 92 and name hg## and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 92 and name hd## and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 4.2
!g93
!intra
assign (resid 93 and name ha# and segid="sam1") (resid 93 and name hn and segid="sam1") 1.8 0 3.2





assign (resid 42 and name hg# and segid="sam1") (resid 43 and name hg# and segid="sam1") 1.8 0 3.2
assign (resid 42 and name hg# and segid="sam1") (resid 43 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hn and segid="sam1") (resid 43 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 44 and name hn and segid="sam1") (resid 43 and name hg# and segid="sam1") 1.8 0 4.2

assign (resid 1 and name ha and segid="sam1") (resid 2 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 1 and name hb# and segid="sam1") (resid 2 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 3 and name ha and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 3 and name hn and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 3 and name hb# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 3 and name hd# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 3 and name hg# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 2 and name hb# and segid="sam1") (resid 3 and name hg# and segid="sam1") 1.8 0 3.2
assign (resid 4 and name hb# and segid="sam1") (resid 5 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 5 and name hn and segid="sam1") (resid 4 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 82 and name hb# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 83 and name he# and segid="sam1") (resid 4 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 4 and name ha and segid="sam1") (resid 5 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 6 and name hn and segid="sam1") (resid 5 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 6 and name hn and segid="sam1") (resid 5 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 5 and name ha and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 5 and name hg2# and segid="sam1") (resid 6 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 6 and name ha and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 6 and name hg1# and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 6 and name hb and segid="sam1") (resid 7 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 8 and name hn and segid="sam1") (resid 7 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 8 and name ha and segid="sam1") (resid 7 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 8 and name hd# and segid="sam1") (resid 7 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 9 and name ha# and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 9 and name hn and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 7 and name ha and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 7 and name hb and segid="sam1") (resid 8 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 7 and name hg1# and segid="sam1") (resid 8 and name hd# and segid="sam1") 1.8 0 3.2
assign (resid 7 and name hn and segid="sam1") (resid 8 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 7 and name hg1# and segid="sam1") (resid 8 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 8 and name ha and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 8 and name hd# and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 8 and name hb# and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 8 and name hg# and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hg# and segid="sam1") (resid 9 and name hn and segid="sam1") 1.8 0 4.  
assign (resid 10 and name hb## and segid="sam1") (resid 9 and name ha# and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hb## and segid="sam1") (resid 9 and name ha# and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd1# and segid="sam1") (resid 9 and name ha# and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hg## and segid="sam1") (resid 9 and name ha# and segid="sam1") 1.8 0 4.2
assign (resid 9 and name ha# and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 9 and name hn and segid="sam1") (resid 10 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 11 and name hn and segid="sam1") (resid 10 and name ha and segid="sam1") 1.8 0 2.4
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assign (resid 10 and name hn and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hd2# and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd1# and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hb# and segid="sam1") (resid 11 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 11 and name ha and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 11 and name hb# and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 11 and name hg# and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 11 and name hn and segid="sam1") (resid 12 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 12 and name ha and segid="sam1") (resid 13 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 12 and name ha and segid="sam1") (resid 13 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 14 and name ha and segid="sam1") (resid 13 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 13 and name ha and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 13 and name hb# and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name hg1# and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name hg2# and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 15 and name hn and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 15 and name hb# and segid="sam1") (resid 14 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 14 and name ha and segid="sam1") (resid 15 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 15 and name ha and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 15 and name hb# and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 17 and name hn and segid="sam1") (resid 16 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 17 and name hg# and segid="sam1") (resid 16 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 16 and name hb# and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 16 and name hg# and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 16 and name hd2# and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 16 and name hd1# and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 18 and name ha# and segid="sam1") (resid 17 and name hn and segid="sam1") 1.8 0 4.2 
!seq
assign (resid 19 and name hn and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 19 and name ha# and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 17 and name hb# and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 17 and name hg# and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 17 and name hn and segid="sam1") (resid 18 and name hn and segid="sam1") 1.8 0 4.2 
!seq
assign (resid 18 and name ha# and segid="sam1") (resid 19 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 18 and name hn and segid="sam1") (resid 19 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 18 and name ha# and segid="sam1") (resid 19 and name ha# and segid="sam1") 1.8 0 4.2
assign (resid 19 and name ha# and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 21 and name hn and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 21 and name hn and segid="sam1") (resid 20 and name ha and segid="sam1") 1.8 0 2.4
assign (resid 21 and name hb# and segid="sam1") (resid 20 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 21 and name ha and segid="sam1") (resid 20 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 19 and name hn and segid="sam1") (resid 20 and name hn and segid="sam1") 1.8 0 3.2
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assign (resid 20 and name hb# and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 20 and name hg# and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 22 and name ha and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 4.2 
assign (resid 22 and name hd2# and segid="sam1") (resid 21 and name hn and segid="sam1") 1.8 0 4.2   
assign (resid 22 and name hn and segid="sam1") (resid 21 and name ha and segid="sam1") 1.8 0 4.2
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assign (resid 22 and name hg and segid="sam1") (resid 23 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 22 and name hd## and segid="sam1") (resid 23 and name hn and segid="sam1") 1.8 0 4.2
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assign (resid 23 and name hd# and segid="sam1") (resid 24 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 23 and name hb# and segid="sam1") (resid 24 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 25 and name hn and segid="sam1") (resid 24 and name ha and segid="sam1") 1.8 0 4.2 
assign (resid 24 and name ha and segid="sam1") (resid 25 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 24 and name hb# and segid="sam1") (resid 25 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 24 and name hg# and segid="sam1") (resid 25 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 25 and name ha and segid="sam1") (resid 26 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 25 and name hb# and segid="sam1") (resid 26 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 26 and name ha and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 26 and name hb# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 26 and name hg# and segid="sam1") (resid 27 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 27 and name ha and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 27 and name hb# and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 27 and name hg and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 3.2
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assign (resid 29 and name hn and segid="sam1") (resid 28 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 28 and name ha and segid="sam1") (resid 29 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 28 and name hb# and segid="sam1") (resid 29 and name hn and segid="sam1") 1.8 0 4.2

assign (resid 30 and name hg# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 30 and name hd# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 32 and name hb and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hn and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name ha and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hg1# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hg2# and segid="sam1") (resid 31 and name hn and segid="sam1") 1.8 0 4.2

!seq
assign (resid 31 and name ha and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 31 and name ha and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 31 and name ha and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 33 and name hn and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 33 and name hb# and segid="sam1") (resid 32 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hb and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 32 and name hg## and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 31 and name hg# and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 31 and name hg# and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 34 and name hn and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 35 and name he## and segid="sam1") (resid 33 and name hn and segid="sam1") 1.8 0 4.2

!seq
assign (resid 33 and name ha and segid="sam1") (resid 34 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 33 and name ha and segid="sam1") (resid 34 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 33 and name ha and segid="sam1") (resid 34 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 35 and name ha and segid="sam1") (resid 36 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 35 and name hb# and segid="sam1") (resid 36 and name hn and segid="sam1") 1.8 0 2.4
!seq
assign (resid 36 and name ha and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 36 and name hb and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 36 and name hg2# and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 38 and name hd2# and segid="sam1") (resid 37 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 37 and name ha and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 37 and name hb# and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 37 and name he## and segid="sam1") (resid 38 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name ha and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 38 and name hb# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hg and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hd1# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hd2# and segid="sam1") (resid 39 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hn and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 39 and name ha and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 39 and name hb# and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 39 and name hd1# and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hd2# and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 41 and name hn and segid="sam1") (resid 40 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 41 and name hn and segid="sam1") (resid 42 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 41 and name ha and segid="sam1") (resid 42 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 41 and name hb# and segid="sam1") (resid 42 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 43 and name ha and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 43 and name hb# and segid="sam1") (resid 44 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 43 and name hb# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 43 and name hg# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 43 and name hd# and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name ha and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 44 and name hb and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hg1# and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hg2# and segid="sam1") (resid 45 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 45 and name hn and segid="sam1") (resid 44 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name ha and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 45 and name hb# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hg# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hd# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hd# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 45 and name hd2# and segid="sam1") (resid 46 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 46 and name ha and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 46 and name hb and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 46 and name hg2# and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 48 and name ha and segid="sam1") (resid 47 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 47 and name ha and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 47 and name hb# and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 49 and name hb# and segid="sam1") (resid 48 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 50 and name ha and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 50 and name hn and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 50 and name hb# and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 48 and name ha and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 48 and name hn and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 48 and name hb# and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 48 and name hg# and segid="sam1") (resid 49 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 49 and name ha and segid="sam1") (resid 50 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 49 and name hb# and segid="sam1") (resid 50 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 50 and name ha and segid="sam1") (resid 51 and name hn and segid="sam1") 1.8 0 0.9
assign (resid 50 and name hb# and segid="sam1") (resid 51 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 51 and name ha and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 1.7 
assign (resid 51 and name hb# and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 51 and name hg# and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg1# and segid="sam1") (resid 52 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 52 and name ha and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 52 and name hb and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 52 and name hg1# and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 52 and name hg2# and segid="sam1") (resid 53 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 53 and name ha and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 53 and name hb and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg1# and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg2# and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 55 and name he## and segid="sam1") (resid 54 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 54 and name ha and segid="sam1") (resid 55 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 54 and name hb# and segid="sam1") (resid 55 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 55 and name ha and segid="sam1") (resid 56 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 56 and name ha and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hb# and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hn and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 58 and name hn and segid="sam1") (resid 57 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 30 and name ha and segid="sam1") (resid 57 and name hb# and segid="sam1") 1.8 0 2.4
assign (resid 57 and name ha and segid="sam1") (resid 58 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 57 and name hb# and segid="sam1") (resid 58 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 59 and name hb# and segid="sam1") (resid 58 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 58 and name hn and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 58 and name ha and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 56 and name ha and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hb# and segid="sam1") (resid 59 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 59 and name ha and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 59 and name hb# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 59 and name hd1# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 59 and name hd2# and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 59 and name hn and segid="sam1") (resid 60 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 60 and name ha and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 60 and name hb# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 60 and name hg# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 61 and name ha and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 61 and name hb# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 62 and name ha and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 62 and name hb# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 62 and name hg and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 62 and name hd1# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 62 and name hd2# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name ha and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 63 and name hb# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name hg and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 63 and name hd1# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 63 and name h2# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name ha and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 64 and name hb# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name hg and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 64 and name hd1# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 64 and name hd2# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name ha and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 65 and name hb# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hg and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hd1# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 65 and name hd2# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 66 and name ha and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 66 and name hb# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 66 and name hg# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 66 and name hd# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 66 and name he# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hg and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd1# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 67 and name ha and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 67 and name hb# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 67 and name hn and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 68 and name ha and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 68 and name hn and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hb# and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hg and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd1# and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd2# and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 70 and name hg# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 70 and name hd# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 70 and name hd2# and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 2.4
assign (resid 72 and name ha and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 72 and name hn and segid="sam1") (resid 71 and name hb# and segid="sam1") 1.8 0 4.2
!seq
assign (resid 71 and name hn and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 71 and name ha and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 71 and name hb# and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 71 and name hg# and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 72 and name hn and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 72 and name ha and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 72 and name hb# and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 74 and name hn and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 75 and name ha and segid="sam1") (resid 74 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 73 and name ha and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 73 and name hb# and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 74 and name ha and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 74 and name hb# and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 75 and name ha and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 75 and name hg# and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 75 and name hd# and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 76 and name ha and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 76 and name hb# and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name ha and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 77 and name ha and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 77 and name hb and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 77 and name hg2# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 2.4
!seq
assign (resid 78 and name ha and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 78 and name hb# and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 78 and name hd## and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 79 and name ha and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 79 and name hb# and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name hg and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name hd2# and segid="sam1") (resid 80 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 80 and name ha and segid="sam1") (resid 81 and name hn and segid="sam1") 1.8 0 2.4 
!seq
assign (resid 81 and name ha# and segid="sam1") (resid 82 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 83 and name hn and segid="sam1") (resid 82 and name hn and segid="sam1") 1.8 0 2.4 
!seq
assign (resid 82 and name ha and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 82 and name hn and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 82 and name hb# and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 84 and name hg1# and segid="sam1") (resid 83 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 83 and name ha and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 83 and name hb# and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 83 and name hg# and segid="sam1") (resid 84 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 84 and name ha and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 84 and name hg2# and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 3.2
!seq
assign (resid 85 and name ha and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 85 and name hb and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 85 and name hg2# and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 86 and name ha and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 86 and name hb# and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 87 and name ha and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 1.7
assign (resid 87 and name hb# and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 87 and name hd## and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 4.2
!seq
assign (resid 88 and name ha and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 2.4
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!seq
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!seq
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!med
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!long
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!long
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!long
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assign (resid 30 and name ha and segid="sam1") (resid 59 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 30 and name hb# and segid="sam1") (resid 59 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 30 and name hg# and segid="sam1") (resid 59 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 30 and name hd# and segid="sam1") (resid 59 and name hd1# and segid="sam1") 1.8 0 3.2
!long
assign (resid 26 and name ha and segid="sam1") (resid 60 and name ha and segid="sam1") 1.8 0 2.4
assign (resid 61 and name hd## and segid="sam1") (resid 60 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 54 and name ha and segid="sam1") (resid 60 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 62 and name hd1# and segid="sam1") (resid 60 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 26 and name hg# and segid="sam1") (resid 60 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 26 and name hb# and segid="sam1") (resid 60 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 24 and name hg# and segid="sam1") (resid 60 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hb# and segid="sam1") (resid 60 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hg# and segid="sam1") (resid 60 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 56 and name hb# and segid="sam1") (resid 60 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 24 and name hg# and segid="sam1") (resid 60 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 26 and name hg# and segid="sam1") (resid 60 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 24 and name hg# and segid="sam1") (resid 60 and name hb# and segid="sam1") 1.8 0 4.2
!long
assign (resid 26 and name ha and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 25 and name hn and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 25 and name hb# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 54 and name hb# and segid="sam1") (resid 61 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 25 and name hb# and segid="sam1") (resid 61 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 54 and name ha and segid="sam1") (resid 61 and name ha and segid="sam1") 1.8 0 2.4
assign (resid 78 and name he## and segid="sam1") (resid 61 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 78 and name hz# and segid="sam1") (resid 61 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 24 and name hg# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 27 and name hd1# and segid="sam1") (resid 61 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 54 and name ha and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 53 and name hg2# and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 53 and name hn and segid="sam1") (resid 62 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 24 and name ha and segid="sam1") (resid 62 and name ha and segid="sam1") 1.8 0 2.4
assign (resid 55 and name hz# and segid="sam1") (resid 62 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 54 and name ha and segid="sam1") (resid 62 and name hd1# and segid="sam1") 1.8 0 4.2
assign (resid 55 and name he## and segid="sam1") (resid 62 and name hd1# and segid="sam1") 1.8 0 2.4
assign (resid 55 and name hz# and segid="sam1") (resid 62 and name hd2# and segid="sam1") 1.8 0 3.2
!long
assign (resid 24 and name ha and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 23 and name hn and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 23 and name hb# and segid="sam1") (resid 63 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 37 and name he# and segid="sam1") (resid 63 and name hd2# and segid="sam1") 1.8 0 3.2
assign (resid 37 and name hz# and segid="sam1") (resid 63 and name hd2# and segid="sam1") 1.8 0 3.2
assign (resid 37 and name hb# and segid="sam1") (resid 63 and name hd1# and segid="sam1") 1.8 0 4.2
assign (resid 52 and name hb and segid="sam1") (resid 63 and name hd1# and segid="sam1") 1.8 0 4.2
assign (resid 52 and name hg2# and segid="sam1") (resid 63 and name hd1# and segid="sam1") 1.8 0 1.7
assign (resid 23 and name he## and segid="sam1") (resid 63 and name hd2# and segid="sam1") 1.8 0 4.2
assign (resid 44 and name hg2# and segid="sam1") (resid 63 and name hd2# and segid="sam1") 1.8 0 2.4
assign (resid 44 and name hg2# and segid="sam1") (resid 63 and name hd1# and segid="sam1") 1.8 0 2.4
!long
assign (resid 52 and name ha and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 51 and name hb# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 52 and name hg2# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 53 and name hg1# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 50 and name hb# and segid="sam1") (resid 64 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 22 and name ha and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 21 and name hn and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 76 and name hg2# and segid="sam1") (resid 65 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 23 and name he## and segid="sam1") (resid 65 and name hd1# and segid="sam1") 1.8 0 4.2
assign (resid 39 and name hd2# and segid="sam1") (resid 65 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 39 and name hd1# and segid="sam1") (resid 65 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 21 and name hb# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 20 and name ha and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 20 and name hg# and segid="sam1") (resid 65 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 50 and name ha and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 20 and name hg# and segid="sam1") (resid 66 and name hg# and segid="sam1") 1.8 0 3.2
assign (resid 49 and name hb# and segid="sam1") (resid 66 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 49 and name hb# and segid="sam1") (resid 66 and name hg# and segid="sam1") 1.8 0 4.2
assign (resid 49 and name ha and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 49 and name hb# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 50 and name hb# and segid="sam1") (resid 66 and name hn and segid="sam1") 1.8 0 3.2
!long
assign (resid 20 and name ha and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 20 and name ha and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 18 and name ha# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 19 and name ha# and segid="sam1") (resid 67 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 15 and name hb# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 18 and name ha# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 19 and name ha# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg1# and segid="sam1") (resid 68 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 91 and name hg1# and segid="sam1") (resid 69 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 91 and name hg1# and segid="sam1") (resid 70 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 91 and name hg1# and segid="sam1") (resid 70 and name hb# and segid="sam1") 1.8 0 4.2
!long
assign (resid 91 and name hb and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg1# and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg2# and segid="sam1") (resid 72 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 91 and name hg2# and segid="sam1") (resid 73 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 91 and name hg2# and segid="sam1") (resid 73 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 89 and name hn and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 40 and name hb# and segid="sam1") (resid 74 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 90 and name ha and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 89 and name hb# and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 89 and name hd2# and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 91 and name hn and segid="sam1") (resid 74 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 88 and name he# and segid="sam1") (resid 75 and name hd# and segid="sam1") 1.8 0 4.2
assign (resid 88 and name ha and segid="sam1") (resid 75 and name ha and segid="sam1") 1.8 0 2.4
assign (resid 40 and name hb# and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 40 and name ha and segid="sam1") (resid 75 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 88 and name ha and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 87 and name hn and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 23 and name he## and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 2.4
assign (resid 23 and name hb# and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 23 and name hd## and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 37 and name he## and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 37 and name hz## and segid="sam1") (resid 76 and name hg## and segid="sam1") 1.8 0 2.4
assign (resid 39 and name ha and segid="sam1") (resid 76 and name ha and segid="sam1") 1.8 0 3.2
assign (resid 39 and name hd2# and segid="sam1") (resid 76 and name hg2# and segid="sam1") 1.8 0 2.4
assign (resid 10 and name hd2# and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 2.4
assign (resid 87 and name hn and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 87 and name hb# and segid="sam1") (resid 76 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 87 and name hb# and segid="sam1") (resid 76 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 86 and name ha and segid="sam1") (resid 76 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 37 and name ha and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 39 and name ha and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hb# and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hn and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 39 and name hd1# and segid="sam1") (resid 77 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 86 and name ha and segid="sam1") (resid 77 and name ha and segid="sam1") 1.8 0 2.4
!long
assign (resid 86 and name ha and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 85 and name hn and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 85 and name hg2# and segid="sam1") (resid 78 and name hd## and segid="sam1") 1.8 0 3.2
assign (resid 85 and name hg2# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 84 and name hg2# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd1# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 2.4
assign (resid 10 and name hd2# and segid="sam1") (resid 78 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 37 and name ha and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 36 and name hn and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 36 and name hb and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 35 and name hb and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 37 and name hd## and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 38 and name hg and segid="sam1") (resid 79 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 27 and name hd1# and segid="sam1") (resid 80 and name hb# and segid="sam1") 1.8 0 3.2
assign (resid 35 and name hb# and segid="sam1") (resid 80 and name hb# and segid="sam1") 1.8 0 4.2
assign (resid 35 and name ha and segid="sam1") (resid 80 and name ha and segid="sam1") 1.8 0 2.4
!long
assign (resid 34 and name hb# and segid="sam1") (resid 81 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 35 and name ha and segid="sam1") (resid 81 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 34 and name hb# and segid="sam1") (resid 81 and name ha and segid="sam1") 1.8 0 4.2
!long
assign (resid 4 and name hb# and segid="sam1") (resid 82 and name hb# and segid="sam1") 1.8 0 4.2
!long
assign (resid 6 and name hg2# and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 2.4
assign (resid 27 and name hd1# and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 3.2
assign (resid 27 and name hd2# and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 4.2  
assign (resid 7 and name hg2# and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 3.2
assign (resid 4 and name hb# and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 3.2
assign (resid 5 and name ha and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 4.2
assign (resid 28 and name ha and segid="sam1") (resid 83 and name he# and segid="sam1") 1.8 0 4.2
!long
assign (resid 77 and name hg2# and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 78 and name hb and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 79 and name ha and segid="sam1") (resid 85 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd2# and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hd1# and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 25 and name hb# and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 78 and name hd## and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 78 and name he## and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 78 and name hb# and segid="sam1") (resid 85 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 9 and name ha and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hb# and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hd1# and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 10 and name hd2# and segid="sam1") (resid 86 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 77 and name ha and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name hb and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 75 and name hg# and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 75 and name hd# and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 10 and name hd2# and segid="sam1") (resid 87 and name hn and segid="sam1") 1.8 0 4.2
!long
assign (resid 12 and name ha and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 12 and name hb# and segid="sam1") (resid 88 and name hn and segid="sam1") 1.8 0 3.2
!long
assign (resid 75 and name ha and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 73 and name ha and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name hn and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 76 and name hg2# and segid="sam1") (resid 89 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 13 and name hg1# and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 2.4
assign (resid 13 and name hg2# and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 4.2
assign (resid 23 and name he## and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd1# and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd1# and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd2# and segid="sam1") (resid 89 and name hd2# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd2# and segid="sam1") (resid 89 and name hd2# and segid="sam1") 1.8 0 3.2
assign (resid 65 and name hd1# and segid="sam1") (resid 89 and name hd2# and segid="sam1") 1.8 0 3.2
assign (resid 15 and name hb# and segid="sam1") (resid 89 and name hd1# and segid="sam1") 1.8 0 2.4
!long
assign (resid 14 and name ha and segid="sam1") (resid 90 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 13 and name hb# and segid="sam1") (resid 90 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 74 and name hn and segid="sam1") (resid 90 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 73 and name hb# and segid="sam1") (resid 90 and name ha and segid="sam1") 1.8 0 4.2
assign (resid 14 and name hb# and segid="sam1") (resid 90 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 14 and name hg# and segid="sam1") (resid 90 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 15 and name hn and segid="sam1") (resid 90 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 14 and name ha and segid="sam1") (resid 90 and name hb# and segid="sam1") 1.8 0 4.2
!long
assign (resid 70 and name ha and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 73 and name hn and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 73 and name hb# and segid="sam1") (resid 91 and name hn and segid="sam1") 1.8 0 4.2
assign (resid 15 and name hb# and segid="sam1") (resid 91 and name hg2# and segid="sam1") 1.8 0 3.2
assign (resid 17 and name hn and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 17 and name hb# and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 4.2
assign (resid 17 and name ha and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 16 and name ha and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 70 and name ha and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd1# and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 3.2
assign (resid 68 and name hd2# and segid="sam1") (resid 91 and name hg1# and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd1# and segid="sam1") (resid 91 and name hg2# and segid="sam1") 1.8 0 4.2
assign (resid 68 and name hd2# and segid="sam1") (resid 91 and name hg2# and segid="sam1") 1.8 0 3.2
!long
assign (resid 16 and name ha and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 3.2
assign (resid 17 and name hb# and segid="sam1") (resid 92 and name hn and segid="sam1") 1.8 0 3.2






!!!!Dihedral values

!a2 phi 
assign (segid="sam1" and resid 1 and name c)
       (segid="sam1" and resid 2 and name n)
       (segid="sam1" and resid 2 and name ca)
       (segid="sam1" and resid 2 and name c) 1  -160 30.00 2 

!k3 phi    
assign (segid="sam1" and resid 2 and name c)
       (segid="sam1" and resid 3 and name n)
       (segid="sam1" and resid 3 and name ca)
       (segid="sam1" and resid 3 and name c) 1  -150 30.00 2 

!n4 phi            
assign (segid="sam1" and resid 3 and name c)
       (segid="sam1" and resid 4 and name n)
       (segid="sam1" and resid 4 and name ca)
       (segid="sam1" and resid 4 and name c) 1  -120 30.00 2 


!t5 phi               
assign (segid="sam1" and resid 4 and name c)
       (segid="sam1" and resid 5 and name n)
       (segid="sam1" and resid 5 and name ca)
       (segid="sam1" and resid 5 and name c) 1  -121 40.00 2 

!v6 phi               
assign (segid="sam1" and resid 5 and name c)
       (segid="sam1" and resid 6 and name n)
       (segid="sam1" and resid 6 and name ca)
       (segid="sam1" and resid 6 and name c) 1  -83.4 40.00 2 


!v7 phi              
assign (segid="sam1" and resid 6 and name c)
       (segid="sam1" and resid 7 and name n)
       (segid="sam1" and resid 7 and name ca)
       (segid="sam1" and resid 7 and name c) 1  -101 40.00 2 


!R8 phi             
assign (segid="sam1" and resid 7 and name c)
       (segid="sam1" and resid 8 and name n)
       (segid="sam1" and resid 8 and name ca)
       (segid="sam1" and resid 8 and name c) 1  -135 40.00 2 


!T10 phi 
assign (segid="sam1" and resid 9 and name c)
       (segid="sam1" and resid 10 and name n)
       (segid="sam1" and resid 10 and name ca)
       (segid="sam1" and resid 10 and name c) 1  -91 30.0 2 


!e11 phi 
assign (segid="sam1" and resid 10 and name c)
       (segid="sam1" and resid 11 and name n)
       (segid="sam1" and resid 11 and name ca)
       (segid="sam1" and resid 11 and name c) 1  -124 30.0 2 


!n12 phi 
assign (segid="sam1" and resid 11 and name c)
       (segid="sam1" and resid 12 and name n)
       (segid="sam1" and resid 12 and name ca)
       (segid="sam1" and resid 12 and name c) 1  -65 40.0 2 


!v13 phi 
assign (segid="sam1" and resid 12 and name c)
       (segid="sam1" and resid 13 and name n)
       (segid="sam1" and resid 13 and name ca)
       (segid="sam1" and resid 13 and name c) 1  -122 40.0 2

!e14 phi
assign (segid="sam1" and resid 13 and name c)
       (segid="sam1" and resid 14 and name n)
       (segid="sam1" and resid 14 and name ca)
       (segid="sam1" and resid 14 and name c) 1  -115 40.0 2

!a15 phi 
assign (segid="sam1" and resid 14 and name c)
       (segid="sam1" and resid 15 and name n)
       (segid="sam1" and resid 15 and name ca)
       (segid="sam1" and resid 15 and name c) 1  -135 40.0 2

!L16 phi 
assign (segid="sam1" and resid 15 and name c)
       (segid="sam1" and resid 16 and name n)
       (segid="sam1" and resid 16 and name ca)
       (segid="sam1" and resid 16 and name c) 1  -100 40.0 2

!e17 phi 
assign (segid="sam1" and resid 16 and name c)
       (segid="sam1" and resid 17 and name n)
       (segid="sam1" and resid 17 and name ca)
       (segid="sam1" and resid 17 and name c) 1  -52 30.0 2


!e20 phi 
assign (segid="sam1" and resid 19 and name c)
       (segid="sam1" and resid 20 and name n)
       (segid="sam1" and resid 20 and name ca)
       (segid="sam1" and resid 20 and name c) 1  -123 40.0 2

!a21 phi 
assign (segid="sam1" and resid 20 and name c)
       (segid="sam1" and resid 21 and name n)
       (segid="sam1" and resid 21 and name ca)
       (segid="sam1" and resid 21 and name c) 1  -143 40.0 2

!L22 phi          
assign (segid="sam1" and resid 21 and name c)
       (segid="sam1" and resid 22 and name n)
       (segid="sam1" and resid 22 and name ca)
       (segid="sam1" and resid 22 and name c) 1  -125 40.0 2

!F23 phi 
assign (segid="sam1" and resid 22 and name c)
       (segid="sam1" and resid 23 and name n)
       (segid="sam1" and resid 23 and name ca)
       (segid="sam1" and resid 23 and name c) 1  -127 40.0 2

!E24 phi  
assign (segid="sam1" and resid 23 and name c)
       (segid="sam1" and resid 24 and name n)
       (segid="sam1" and resid 24 and name ca)
       (segid="sam1" and resid 24 and name c) 1  -117 40.0 2

!c25 phi 
assign (segid="sam1" and resid 24 and name c)
       (segid="sam1" and resid 25 and name n)
       (segid="sam1" and resid 25 and name ca)
       (segid="sam1" and resid 25 and name c) 1  -131 40.0 2

!q26 phi 
assign (segid="sam1" and resid 25 and name c)
       (segid="sam1" and resid 26 and name n)
       (segid="sam1" and resid 26 and name ca)
       (segid="sam1" and resid 26 and name c) 1  -120 40.00 2

!L27 phi 
assign (segid="sam1" and resid 26 and name c)
       (segid="sam1" and resid 27 and name n)
       (segid="sam1" and resid 27 and name ca)
       (segid="sam1" and resid 27 and name c) 1  -131 40.0 2

!s28 phi 
assign (segid="sam1" and resid 27 and name c)
       (segid="sam1" and resid 28 and name n)
       (segid="sam1" and resid 28 and name ca)
       (segid="sam1" and resid 28 and name c) 1  -79 40.0 2

!q29 phi  
assign (segid="sam1" and resid 28 and name c)
       (segid="sam1" and resid 29 and name n)
       (segid="sam1" and resid 29 and name ca)
       (segid="sam1" and resid 29 and name c) 1  -170 30.0 2

!e31 phi
assign (segid="sam1" and resid 30 and name c)
       (segid="sam1" and resid 31 and name n)
       (segid="sam1" and resid 31 and name ca)
       (segid="sam1" and resid 31 and name c) 1  -123.7 30.0 2


!a33 phi 
assign (segid="sam1" and resid 32 and name c)
       (segid="sam1" and resid 33 and name n)
       (segid="sam1" and resid 33 and name ca)
       (segid="sam1" and resid 33 and name c) 1  -85 30.0 2

!a34 phi 
assign (segid="sam1" and resid 33 and name c)
       (segid="sam1" and resid 34 and name n)
       (segid="sam1" and resid 34 and name ca)
       (segid="sam1" and resid 34 and name c) 1  -125 40.0 2

!h35 phi 
assign (segid="sam1" and resid 34 and name c)
       (segid="sam1" and resid 35 and name n)
       (segid="sam1" and resid 35 and name ca)
       (segid="sam1" and resid 35 and name c) 1  -113 40.0 2

!t36 phi  
assign (segid="sam1" and resid 35 and name c)
       (segid="sam1" and resid 36 and name n)
       (segid="sam1" and resid 36 and name ca)
       (segid="sam1" and resid 36 and name c) 1  -139 40.0 2

!W37 phi 
assign (segid="sam1" and resid 36 and name c)
       (segid="sam1" and resid 37 and name n)
       (segid="sam1" and resid 37 and name ca)
       (segid="sam1" and resid 37 and name c) 1  -116 40.0 2

!L38   
assign (segid="sam1" and resid 37 and name c)
       (segid="sam1" and resid 38 and name n)
       (segid="sam1" and resid 38 and name ca)
       (segid="sam1" and resid 38 and name c) 1  -125 40.0 2

!L39 phi 
assign (segid="sam1" and resid 38 and name c)
       (segid="sam1" and resid 39 and name n)
       (segid="sam1" and resid 39 and name ca)
       (segid="sam1" and resid 39 and name c) 1  -114 40 2
 
!D40 phi 
assign (segid="sam1" and resid 39 and name c)
       (segid="sam1" and resid 40 and name n)
       (segid="sam1" and resid 40 and name ca)
       (segid="sam1" and resid 40 and name c) 1  -66 30.0 2

!d41 phi 
assign (segid="sam1" and resid 40 and name c)
       (segid="sam1" and resid 41 and name n)
       (segid="sam1" and resid 41 and name ca)
       (segid="sam1" and resid 41 and name c) 1  -98 30.0 2

!e42 phi  
assign (segid="sam1" and resid 41 and name c)
       (segid="sam1" and resid 42 and name n)
       (segid="sam1" and resid 42 and name ca)
       (segid="sam1" and resid 42 and name c) 1  -145 30.0 2

!!p43 phi  
assign (segid="sam1" and resid 42 and name c)
       (segid="sam1" and resid 43 and name n)
       (segid="sam1" and resid 43 and name ca)
       (segid="sam1" and resid 43 and name c) 1  -68 30.0 2

!v44 phi 
assign (segid="sam1" and resid 43 and name c)
       (segid="sam1" and resid 44 and name n)
       (segid="sam1" and resid 44 and name ca)
       (segid="sam1" and resid 44 and name c) 1  -99 30.0 2 

!r45 phi  
assign (segid="sam1" and resid 44 and name c)
       (segid="sam1" and resid 45 and name n)
       (segid="sam1" and resid 45 and name ca)
       (segid="sam1" and resid 45 and name c) 1  -118 30.0 2 

!t46 phi 
assign (segid="sam1" and resid 45 and name c)
       (segid="sam1" and resid 46 and name n)
       (segid="sam1" and resid 46 and name ca)
       (segid="sam1" and resid 46 and name c) 1  50 30.0 2


!s47 phi 
assign (segid="sam1" and resid 46 and name c)
       (segid="sam1" and resid 47 and name n)
       (segid="sam1" and resid 47 and name ca)
       (segid="sam1" and resid 47 and name c) 1  -152 30.0 2

!Q48 phi 
assign (segid="sam1" and resid 47 and name c)
       (segid="sam1" and resid 48 and name n)
       (segid="sam1" and resid 48 and name ca)
       (segid="sam1" and resid 48 and name c) 1  -56 30.0 2 

!N49 phi 
assign (segid="sam1" and resid 48 and name c)
       (segid="sam1" and resid 49 and name n)
       (segid="sam1" and resid 49 and name ca)
       (segid="sam1" and resid 49 and name c) 1  -87 30.0 2

!a50 phi 
assign (segid="sam1" and resid 49 and name c)
       (segid="sam1" and resid 50 and name n)
       (segid="sam1" and resid 50 and name ca)
       (segid="sam1" and resid 50 and name c) 1  -150 40.0 2

!e51 phi 
assign (segid="sam1" and resid 50 and name c)
       (segid="sam1" and resid 51 and name n)
       (segid="sam1" and resid 51 and name ca)
       (segid="sam1" and resid 51 and name c) 1  -139 40.0 2

!v52 phi 
assign (segid="sam1" and resid 51 and name c)
       (segid="sam1" and resid 52 and name n)
       (segid="sam1" and resid 52 and name ca)
       (segid="sam1" and resid 52 and name c) 1  -101 40.0 2

!v53 phi 
assign (segid="sam1" and resid 52 and name c)
       (segid="sam1" and resid 53 and name n)
       (segid="sam1" and resid 53 and name ca)
       (segid="sam1" and resid 53 and name c) 1  -143 40.0 2

!f54 phi 
assign (segid="sam1" and resid 53 and name c)
       (segid="sam1" and resid 54 and name n)
       (segid="sam1" and resid 54 and name ca)
       (segid="sam1" and resid 54 and name c) 1  -128 40.0 2

!f55 phi
assign (segid="sam1" and resid 54 and name c)
       (segid="sam1" and resid 55 and name n)
       (segid="sam1" and resid 55 and name ca)
       (segid="sam1" and resid 55 and name c) 1  -129 40.0 2

!E56 phi     
assign (segid="sam1" and resid 55 and name c)
       (segid="sam1" and resid 56 and name n)
       (segid="sam1" and resid 56 and name ca)
       (segid="sam1" and resid 56 and name c) 1  62 30.0 2

!n57 phi  
assign (segid="sam1" and resid 56 and name c)
       (segid="sam1" and resid 57 and name n)
       (segid="sam1" and resid 57 and name ca)
       (segid="sam1" and resid 57 and name c) 1  79 30.0 2

!L59 phi
assign (segid="sam1" and resid 58 and name c)
       (segid="sam1" and resid 59 and name n)
       (segid="sam1" and resid 59 and name ca)
       (segid="sam1" and resid 59 and name c) 1  -84.8 40.0 2


!R60 phi 
assign (segid="sam1" and resid 59 and name c)
       (segid="sam1" and resid 60 and name n)
       (segid="sam1" and resid 60 and name ca)
       (segid="sam1" and resid 60 and name c) 1  -116 40.0 2

!H61 phi  
assign (segid="sam1" and resid 60 and name c)
       (segid="sam1" and resid 61 and name n)
       (segid="sam1" and resid 61 and name ca)
       (segid="sam1" and resid 61 and name c) 1  -113 40.0 2



!L62 phi  
assign (segid="sam1" and resid 61 and name c)
       (segid="sam1" and resid 62 and name n)
       (segid="sam1" and resid 62 and name ca)
       (segid="sam1" and resid 62 and name c) 1  -122 40.0 2

!L63 phi 
assign (segid="sam1" and resid 62 and name c)
       (segid="sam1" and resid 63 and name n)
       (segid="sam1" and resid 63 and name ca)
       (segid="sam1" and resid 63 and name c) 1  -134 40.0 2



!L64 phi  
assign (segid="sam1" and resid 63 and name c)
       (segid="sam1" and resid 64 and name n)
       (segid="sam1" and resid 64 and name ca)
       (segid="sam1" and resid 64 and name c) 1  -105 40.0 2

!L65 phi 
assign (segid="sam1" and resid 64 and name c)
       (segid="sam1" and resid 65 and name n)
       (segid="sam1" and resid 65 and name ca)
       (segid="sam1" and resid 65 and name c) 1  -114.4 40.0 2 

!k66 phi 
assign (segid="sam1" and resid 65 and name c)
       (segid="sam1" and resid 66 and name n)
       (segid="sam1" and resid 66 and name ca)
       (segid="sam1" and resid 66 and name c) 1  -133 30.0 2

!n67 phi 
assign (segid="sam1" and resid 66 and name c)
       (segid="sam1" and resid 67 and name n)
       (segid="sam1" and resid 67 and name ca)
       (segid="sam1" and resid 67 and name c) 1  64 30.0 2 

!L68 phi  
assign (segid="sam1" and resid 67 and name c)
       (segid="sam1" and resid 68 and name n)
       (segid="sam1" and resid 68 and name ca)
       (segid="sam1" and resid 68 and name c) 1  -86.6 30.0 2

!r69 phi 
assign (segid="sam1" and resid 68 and name c)
       (segid="sam1" and resid 69 and name n)
       (segid="sam1" and resid 69 and name ca)
       (segid="sam1" and resid 69 and name c) 1  -114 30.0 2

!P70 phi 
assign (segid="sam1" and resid 69 and name c)
       (segid="sam1" and resid 70 and name n)
       (segid="sam1" and resid 70 and name ca)
       (segid="sam1" and resid 70 and name c) 1  -57 30.0 2

!q71 phi 
assign (segid="sam1" and resid 70 and name c)
       (segid="sam1" and resid 71 and name n)
       (segid="sam1" and resid 71 and name ca)
       (segid="sam1" and resid 71 and name c) 1  -79 30.0 2 

!d72 phi    
assign (segid="sam1" and resid 71 and name c)
       (segid="sam1" and resid 72 and name n)
       (segid="sam1" and resid 72 and name ca)
       (segid="sam1" and resid 72 and name c) 1  -74 30.0 2

!s73 phi     
assign (segid="sam1" and resid 72 and name c)
       (segid="sam1" and resid 73 and name n)
       (segid="sam1" and resid 73 and name ca)
       (segid="sam1" and resid 73 and name c) 1  -60 30.0 2

!c74 phi 
assign (segid="sam1" and resid 73 and name c)
       (segid="sam1" and resid 74 and name n)
       (segid="sam1" and resid 74 and name ca)
       (segid="sam1" and resid 74 and name c) 1  -159 40.0 2

!R75 phi 
assign (segid="sam1" and resid 74 and name c)
       (segid="sam1" and resid 75 and name n)
       (segid="sam1" and resid 75 and name ca)
       (segid="sam1" and resid 75 and name c) 1  -94 40.0 2

!V76 phi 
assign (segid="sam1" and resid 75 and name c)
       (segid="sam1" and resid 76 and name n)
       (segid="sam1" and resid 76 and name ca)
       (segid="sam1" and resid 76 and name c) 1  -108 40.0 2

!T77 phi 
assign (segid="sam1" and resid 76 and name c)
       (segid="sam1" and resid 77 and name n)
       (segid="sam1" and resid 77 and name ca)
       (segid="sam1" and resid 77 and name c) 1  -122.2 40.0 2

!F78 phi 
assign (segid="sam1" and resid 77 and name c)
       (segid="sam1" and resid 78 and name n)
       (segid="sam1" and resid 78 and name ca)
       (segid="sam1" and resid 78 and name c) 1  -122 40.0 2

!L79 phi 
assign (segid="sam1" and resid 78 and name c)
       (segid="sam1" and resid 79 and name n)
       (segid="sam1" and resid 79 and name ca)
       (segid="sam1" and resid 79 and name c) 1  -116 40.0 2

!A80 phi 
assign (segid="sam1" and resid 79 and name c)
       (segid="sam1" and resid 80 and name n)
       (segid="sam1" and resid 80 and name ca)
       (segid="sam1" and resid 80 and name c) 1  -132 40.0 2

!d82 phi     
assign (segid="sam1" and resid 81 and name c)
       (segid="sam1" and resid 82 and name n)
       (segid="sam1" and resid 82 and name ca)
       (segid="sam1" and resid 82 and name c) 1  -52 40.0 2

!m83 phi 
assign (segid="sam1" and resid 82 and name c)
       (segid="sam1" and resid 83 and name n)
       (segid="sam1" and resid 83 and name ca)
       (segid="sam1" and resid 83 and name c) 1  -111 40.0 2

!v84 phi 
assign (segid="sam1" and resid 83 and name c)
       (segid="sam1" and resid 84 and name n)
       (segid="sam1" and resid 84 and name ca)
       (segid="sam1" and resid 84 and name c) 1  -122 40.0 2

!t85 phi 
assign (segid="sam1" and resid 84 and name c)
       (segid="sam1" and resid 85 and name n)
       (segid="sam1" and resid 85 and name ca)
       (segid="sam1" and resid 85 and name c) 1  -116 40.0 2

!s86 phi 
assign (segid="sam1" and resid 85 and name c)
       (segid="sam1" and resid 86 and name n)
       (segid="sam1" and resid 86 and name ca)
       (segid="sam1" and resid 86 and name c) 1  -123.0 40.0 2 

!a87 phi  
assign (segid="sam1" and resid 86 and name c)
       (segid="sam1" and resid 87 and name n)
       (segid="sam1" and resid 87 and name ca)
       (segid="sam1" and resid 87 and name c) 1  -143.0 40.00 2

!F88 phi
assign (segid="sam1" and resid 87 and name c)
       (segid="sam1" and resid 88 and name n)
       (segid="sam1" and resid 88 and name ca)
       (segid="sam1" and resid 88 and name c) 1  -117.9 40.00 2

!L89 phi
assign (segid="sam1" and resid 88 and name c)
       (segid="sam1" and resid 89 and name n)
       (segid="sam1" and resid 89 and name ca)
       (segid="sam1" and resid 89 and name c) 1  -119.0 40.0 2

!W90 phi 
assign (segid="sam1" and resid 89 and name c)
       (segid="sam1" and resid 90 and name n)
       (segid="sam1" and resid 90 and name ca)
       (segid="sam1" and resid 90 and name c) 1  -140 40.0 2

!v91 phi 
assign (segid="sam1" and resid 90 and name c)
       (segid="sam1" and resid 91 and name n)
       (segid="sam1" and resid 91 and name ca)
       (segid="sam1" and resid 91 and name c) 1  -132 40.0 2 

!r92 phi 
assign (segid="sam1" and resid 91 and name c)
       (segid="sam1" and resid 92 and name n)
       (segid="sam1" and resid 92 and name ca)
       (segid="sam1" and resid 92 and name c) 1  -120 40.0 2


!93 phi 
assign (segid="sam1" and resid 92 and name c)
       (segid="sam1" and resid 93 and name n)
       (segid="sam1" and resid 93 and name ca)
       (segid="sam1" and resid 93 and name c) 1  -120 40.0 2

!94 phi 
assign (segid="sam1" and resid 93 and name c)
       (segid="sam1" and resid 94 and name n)
       (segid="sam1" and resid 94 and name ca)
       (segid="sam1" and resid 94 and name c) 1  -120 40.0 2

!95 phi 
assign (segid="sam1" and resid 94 and name c)
       (segid="sam1" and resid 95 and name n)
       (segid="sam1" and resid 95 and name ca)
       (segid="sam1" and resid 95 and name c) 1  -120 40.0 2

!96 phi 
assign (segid="sam1" and resid 95 and name c)
       (segid="sam1" and resid 96 and name n)
       (segid="sam1" and resid 96 and name ca)
       (segid="sam1" and resid 96 and name c) 1  -120 40.0 2

!97 phi 
assign (segid="sam1" and resid 96 and name c)
       (segid="sam1" and resid 97 and name n)
       (segid="sam1" and resid 97 and name ca)
       (segid="sam1" and resid 97 and name c) 1  -120 40.0 2

!98 phi 
assign (segid="sam1" and resid 97 and name c)
       (segid="sam1" and resid 98 and name n)
       (segid="sam1" and resid 98 and name ca)
       (segid="sam1" and resid 98 and name c) 1  -120 40.0 2

!99 phi 
assign (segid="sam1" and resid 98 and name c)
       (segid="sam1" and resid 99 and name n)
       (segid="sam1" and resid 99 and name ca)
       (segid="sam1" and resid 99 and name c) 1  -120 40.0 2

!100 phi 
assign (segid="sam1" and resid 99 and name c)
       (segid="sam1" and resid 100 and name n)
       (segid="sam1" and resid 100 and name ca)
       (segid="sam1" and resid 100 and name c) 1  -120 40.0 2

!____________________ psi angles __________________

 !a2 psi
assign (segid="sam1" and resid 2 and name n)
       (segid="sam1" and resid 2 and name ca)
       (segid="sam1" and resid 2 and name c)
       (segid="sam1" and resid 3 and name n) 1  -18.225 30.0 2 

!k3 psi
assign (segid="sam1" and resid 3 and name n)
       (segid="sam1" and resid 3 and name ca)
       (segid="sam1" and resid 3 and name c)
       (segid="sam1" and resid 4 and name n) 1  141.26 30.0 2 


!n4 psi
assign (segid="sam1" and resid 4 and name n)
       (segid="sam1" and resid 4 and name ca)
       (segid="sam1" and resid 4 and name c)
       (segid="sam1" and resid 5 and name n) 1  135.5 30.0 2

t5 psi
assign (segid="sam1" and resid 5 and name n)
       (segid="sam1" and resid 5 and name ca)
       (segid="sam1" and resid 5 and name c)
       (segid="sam1" and resid 6 and name n) 1  151.5 40.0 2 

!v6 psi  131
assign (segid="sam1" and resid 6 and name n)
       (segid="sam1" and resid 6 and name ca)
       (segid="sam1" and resid 6 and name c)
       (segid="sam1" and resid 7 and name n) 1  120 40.0 2 

!v7 psi
assign (segid="sam1" and resid 7 and name n)
       (segid="sam1" and resid 7 and name ca)
       (segid="sam1" and resid 7 and name c)
       (segid="sam1" and resid 8 and name n) 1  -36 40.0 2 

!R8 psi  113
assign (segid="sam1" and resid 8 and name n)
       (segid="sam1" and resid 8 and name ca)
       (segid="sam1" and resid 8 and name c)
       (segid="sam1" and resid 9 and name n) 1  141 40.0 2 

!T10 psi
assign (segid="sam1" and resid 10 and name n)
       (segid="sam1" and resid 10 and name ca)
       (segid="sam1" and resid 10 and name c)
       (segid="sam1" and resid 11 and name n) 1  141.3 30.0 2 

!e11 psi -154
assign (segid="sam1" and resid 11 and name n)
       (segid="sam1" and resid 11 and name ca)
       (segid="sam1" and resid 11 and name c)
       (segid="sam1" and resid 12 and name n) 1  155 30.0 2 

!n12 psi
assign (segid="sam1" and resid 12 and name n)
       (segid="sam1" and resid 12 and name ca)
       (segid="sam1" and resid 12 and name c)
       (segid="sam1" and resid 13 and name n) 1  138.5 40.0 2 

!v13 psi
assign (segid="sam1" and resid 13 and name n)
       (segid="sam1" and resid 13 and name ca)
       (segid="sam1" and resid 13 and name c)
       (segid="sam1" and resid 14 and name n) 1  134.6 40.0 2 

!e14 psi
assign (segid="sam1" and resid 14 and name n)
       (segid="sam1" and resid 14 and name ca)
       (segid="sam1" and resid 14 and name c)
       (segid="sam1" and resid 15 and name n) 1  122.2 40.0 2 

!a15 psi 
assign (segid="sam1" and resid 15 and name n)
       (segid="sam1" and resid 15 and name ca)
       (segid="sam1" and resid 15 and name c)
       (segid="sam1" and resid 16 and name n) 1  159 40.0 2 

!L16 psi 
assign (segid="sam1" and resid 16 and name n)
       (segid="sam1" and resid 16 and name ca)
       (segid="sam1" and resid 16 and name c)
       (segid="sam1" and resid 17 and name n) 1  145 40.0 2

!e17 psi 
assign (segid="sam1" and resid 17 and name n)
       (segid="sam1" and resid 17 and name ca)
       (segid="sam1" and resid 17 and name c)
       (segid="sam1" and resid 18 and name n) 1  136 30.00 2 


!a21 psi
assign (segid="sam1" and resid 21 and name n)
       (segid="sam1" and resid 21 and name ca)
       (segid="sam1" and resid 21 and name c)
       (segid="sam1" and resid 22 and name n) 1  119 40.0 2

!L22 psi          
assign (segid="sam1" and resid 22 and name n)
       (segid="sam1" and resid 22 and name ca)
       (segid="sam1" and resid 22 and name c)
       (segid="sam1" and resid 23 and name n) 1  138 40.0 2

!F23 psi 
assign (segid="sam1" and resid 23 and name n)
       (segid="sam1" and resid 23 and name ca)
       (segid="sam1" and resid 23 and name c)
       (segid="sam1" and resid 24 and name n) 1  120 40.0 2

!E24 psi 
assign (segid="sam1" and resid 24 and name n)
       (segid="sam1" and resid 24 and name ca)
       (segid="sam1" and resid 24 and name c)
       (segid="sam1" and resid 25 and name n) 1  141 40.0 2

!c25 psi 
assign (segid="sam1" and resid 25 and name n)
       (segid="sam1" and resid 25 and name ca)
       (segid="sam1" and resid 25 and name c)
       (segid="sam1" and resid 26 and name n) 1  153.5 40.0 2

!q26 psi 
assign (segid="sam1" and resid 26 and name n)
       (segid="sam1" and resid 26 and name ca)
       (segid="sam1" and resid 26 and name c)
       (segid="sam1" and resid 27 and name n) 1  125 40.0 2 

!L27 psi 
assign (segid="sam1" and resid 27 and name n)
       (segid="sam1" and resid 27 and name ca)
       (segid="sam1" and resid 27 and name c)
       (segid="sam1" and resid 28 and name n) 1  174 40.0 2 

!s28, psi 
assign (segid="sam1" and resid 28 and name n)
       (segid="sam1" and resid 28 and name ca)
       (segid="sam1" and resid 28 and name c)
       (segid="sam1" and resid 29 and name n) 1  130 40.0 2 

!q29 psi 
assign (segid="sam1" and resid 29 and name n)
       (segid="sam1" and resid 29 and name ca)
       (segid="sam1" and resid 29 and name c)
       (segid="sam1" and resid 30 and name n) 1   93 30.0 2 

!e31 psi 
assign (segid="sam1" and resid 31 and name n)
       (segid="sam1" and resid 31 and name ca)
       (segid="sam1" and resid 31 and name c)
       (segid="sam1" and resid 32 and name n) 1  163 30.0 2

!v32 psi 
assign (segid="sam1" and resid 32 and name n)
       (segid="sam1" and resid 32 and name ca)
       (segid="sam1" and resid 32 and name c)
       (segid="sam1" and resid 33 and name n) 1  142 30.0 2

!a33 psi
assign (segid="sam1" and resid 33 and name n)
       (segid="sam1" and resid 33 and name ca)
       (segid="sam1" and resid 33 and name c)
       (segid="sam1" and resid 34 and name n) 1  -26.8 30.0 2

!a34 psi 
assign (segid="sam1" and resid 34 and name n)
       (segid="sam1" and resid 34 and name ca)
       (segid="sam1" and resid 34 and name c)
       (segid="sam1" and resid 35 and name n) 1  128 30.0 2

!h35 psi 
assign (segid="sam1" and resid 35 and name n)
       (segid="sam1" and resid 35 and name ca)
       (segid="sam1" and resid 35 and name c)
       (segid="sam1" and resid 36 and name n) 1  151 30.0 2

!t36 psi 
assign (segid="sam1" and resid 36 and name n)
       (segid="sam1" and resid 36 and name ca)
       (segid="sam1" and resid 36 and name c)
       (segid="sam1" and resid 37 and name n) 1  131 40.0 2

!W37 psi 
assign (segid="sam1" and resid 37 and name n)
       (segid="sam1" and resid 37 and name ca)
       (segid="sam1" and resid 37 and name c)
       (segid="sam1" and resid 38 and name n) 1  108 40.0 2

!L38 psi
assign (segid="sam1" and resid 38 and name n)
       (segid="sam1" and resid 38 and name ca)
       (segid="sam1" and resid 38 and name c)
       (segid="sam1" and resid 39 and name n) 1  142.3 40.0 2


!D40 psi 
assign (segid="sam1" and resid 40 and name n)
       (segid="sam1" and resid 40 and name ca)
       (segid="sam1" and resid 40 and name c)
       (segid="sam1" and resid 41 and name n) 1  134 30.0 2

!d41 psi  
assign (segid="sam1" and resid 41 and name n)
       (segid="sam1" and resid 41 and name ca)
       (segid="sam1" and resid 41 and name c)
       (segid="sam1" and resid 42 and name n) 1  31 30.0 2

!e42 psi  
assign (segid="sam1" and resid 42 and name n)
       (segid="sam1" and resid 42 and name ca)
       (segid="sam1" and resid 42 and name c)
       (segid="sam1" and resid 43 and name n) 1  133.49 30.0 2

!!p43 psi 
assign (segid="sam1" and resid 43 and name n)
       (segid="sam1" and resid 43 and name ca)
       (segid="sam1" and resid 43 and name c)
       (segid="sam1" and resid 44 and name n) 1  142.8 30.0 2

!!v44 psi
assign (segid="sam1" and resid 44 and name n)
       (segid="sam1" and resid 44 and name ca)
       (segid="sam1" and resid 44 and name c)
       (segid="sam1" and resid 45 and name n) 1  110 30.0 2


!s47 psi
assign (segid="sam1" and resid 47 and name n)
       (segid="sam1" and resid 47 and name ca)
       (segid="sam1" and resid 47 and name c)
       (segid="sam1" and resid 48 and name n) 1  -171 30.0 2

!Q48 psi 
assign (segid="sam1" and resid 48 and name n)
       (segid="sam1" and resid 48 and name ca)
       (segid="sam1" and resid 48 and name c)
       (segid="sam1" and resid 49 and name n) 1  -28 30.0 2 

!N49 psi 
assign (segid="sam1" and resid 49 and name n)
       (segid="sam1" and resid 49 and name ca)
       (segid="sam1" and resid 49 and name c)
       (segid="sam1" and resid 50 and name n) 1  1 30.0 2

!a50 psi 
assign (segid="sam1" and resid 50 and name n)
       (segid="sam1" and resid 50 and name ca)
       (segid="sam1" and resid 50 and name c)
       (segid="sam1" and resid 51 and name n) 1  134 40.0 2

!e51 psi 
assign (segid="sam1" and resid 51 and name n)
       (segid="sam1" and resid 51 and name ca)
       (segid="sam1" and resid 51 and name c)
       (segid="sam1" and resid 52 and name n) 1  137 40.00 2

!v52 psi 
assign (segid="sam1" and resid 52 and name n)
       (segid="sam1" and resid 52 and name ca)
       (segid="sam1" and resid 52 and name c)
       (segid="sam1" and resid 53 and name n) 1  129.1 40.0 2

!v53 psi
assign (segid="sam1" and resid 53 and name n)
       (segid="sam1" and resid 53 and name ca)
       (segid="sam1" and resid 53 and name c)
       (segid="sam1" and resid 54 and name n) 1  163.4 40.0 2


!f54 psi 
assign (segid="sam1" and resid 54 and name n)
       (segid="sam1" and resid 54 and name ca)
       (segid="sam1" and resid 54 and name c)
       (segid="sam1" and resid 55 and name n) 1  160 40.0 2


!f55 psi
assign (segid="sam1" and resid 55 and name n)
       (segid="sam1" and resid 55 and name ca)
       (segid="sam1" and resid 55 and name c)
       (segid="sam1" and resid 56 and name n) 1  153.2 40.0 2


!E56 psi 
assign (segid="sam1" and resid 56 and name n)
       (segid="sam1" and resid 56 and name ca)
       (segid="sam1" and resid 56 and name c)
       (segid="sam1" and resid 57 and name n) 1  33 30.0 2



!N57 psi 
assign (segid="sam1" and resid 57 and name n)
       (segid="sam1" and resid 57 and name ca)
       (segid="sam1" and resid 57 and name c)
       (segid="sam1" and resid 58 and name n) 1  38 30.0 2


!L59 psi 
assign (segid="sam1" and resid 59 and name n)
       (segid="sam1" and resid 59 and name ca)
       (segid="sam1" and resid 59 and name c)
       (segid="sam1" and resid 60 and name n) 1  -33 30.0 2 


!H61 psi 
assign (segid="sam1" and resid 61 and name n)
       (segid="sam1" and resid 61 and name ca)
       (segid="sam1" and resid 61 and name c)
       (segid="sam1" and resid 62 and name n) 1  129 40.0 2

!L62 psi  
assign (segid="sam1" and resid 62 and name n)
       (segid="sam1" and resid 62 and name ca)
       (segid="sam1" and resid 62 and name c)
       (segid="sam1" and resid 63 and name n) 1  137 40.0 2

!L63 psi
assign (segid="sam1" and resid 63 and name n)
       (segid="sam1" and resid 63 and name ca)
       (segid="sam1" and resid 63 and name c)
       (segid="sam1" and resid 64 and name n) 1  121.7 40.0 2

!L64 psi 
assign (segid="sam1" and resid 64 and name n)
       (segid="sam1" and resid 64 and name ca)
       (segid="sam1" and resid 64 and name c)
       (segid="sam1" and resid 65 and name n) 1  124.2 40.0 2


!k66 psi
assign (segid="sam1" and resid 66 and name n)
       (segid="sam1" and resid 66 and name ca)
       (segid="sam1" and resid 66 and name c)
       (segid="sam1" and resid 67 and name n) 1  165.5 30.0 2

!n67 psi
assign (segid="sam1" and resid 67 and name n)
       (segid="sam1" and resid 67 and name ca)
       (segid="sam1" and resid 67 and name c)
       (segid="sam1" and resid 68 and name n) 1  47.5 30.0 2

!L68 psi 
assign (segid="sam1" and resid 68 and name n)
       (segid="sam1" and resid 68 and name ca)
       (segid="sam1" and resid 68 and name c)
       (segid="sam1" and resid 69 and name n) 1  138 30.0 2 

!R69 psi 
assign (segid="sam1" and resid 69 and name n)
       (segid="sam1" and resid 69 and name ca)
       (segid="sam1" and resid 69 and name c)
       (segid="sam1" and resid 70 and name n) 1  155 30.0 2


!d72 psi 
assign (segid="sam1" and resid 72 and name n)
       (segid="sam1" and resid 72 and name ca)
       (segid="sam1" and resid 72 and name c)
       (segid="sam1" and resid 73 and name n) 1  -27 30.0 2


!s73 psi 
assign (segid="sam1" and resid 73 and name n)
       (segid="sam1" and resid 73 and name ca)
       (segid="sam1" and resid 73 and name c)
       (segid="sam1" and resid 74 and name n) 1  120.0 40.0 2

!c74 psi  
assign (segid="sam1" and resid 74 and name n)
       (segid="sam1" and resid 74 and name ca)
       (segid="sam1" and resid 74 and name c)
       (segid="sam1" and resid 75 and name n) 1  -161 40.0 2

!R75 psi
assign (segid="sam1" and resid 75 and name n)
       (segid="sam1" and resid 75 and name ca)
       (segid="sam1" and resid 75 and name c)
       (segid="sam1" and resid 76 and name n) 1  143.5 40.0 2


!V76 psi
assign (segid="sam1" and resid 76 and name n)
       (segid="sam1" and resid 76 and name ca)
       (segid="sam1" and resid 76 and name c)
       (segid="sam1" and resid 77 and name n) 1  123.5 40.0 2 

!T77 psi 
assign (segid="sam1" and resid 77 and name n)
       (segid="sam1" and resid 77 and name ca)
       (segid="sam1" and resid 77 and name c)
       (segid="sam1" and resid 78 and name n) 1  140 40.0 2 



!F78 psi
assign (segid="sam1" and resid 78 and name n)
       (segid="sam1" and resid 78 and name ca)
       (segid="sam1" and resid 78 and name c)
       (segid="sam1" and resid 79 and name n) 1  126.9 40.0 2 

!L79 psi 
assign (segid="sam1" and resid 79 and name n)
       (segid="sam1" and resid 79 and name ca)
       (segid="sam1" and resid 79 and name c)
       (segid="sam1" and resid 80 and name n) 1  117 40.0 2 


!A80 psi    
assign (segid="sam1" and resid 80 and name n)
       (segid="sam1" and resid 80 and name ca)
       (segid="sam1" and resid 80 and name c)
       (segid="sam1" and resid 81 and name n) 1  119 40.0 2 

!d82 psi 
assign (segid="sam1" and resid 82 and name n)
       (segid="sam1" and resid 82 and name ca)
       (segid="sam1" and resid 82 and name c)
       (segid="sam1" and resid 83 and name n) 1  3 40.0 2 


!m83 psi 
assign (segid="sam1" and resid 83 and name n)
       (segid="sam1" and resid 83 and name ca)
       (segid="sam1" and resid 83 and name c)
       (segid="sam1" and resid 84 and name n) 1  148 40.0 2 

!v84 psi
assign (segid="sam1" and resid 84 and name n)
       (segid="sam1" and resid 84 and name ca)
       (segid="sam1" and resid 84 and name c)
       (segid="sam1" and resid 85 and name n) 1  132.6 40.0 2 

!t85 psi 
assign (segid="sam1" and resid 85 and name n)
       (segid="sam1" and resid 85 and name ca)
       (segid="sam1" and resid 85 and name c)
       (segid="sam1" and resid 86 and name n) 1  125 40.00 2 

!s86 psi 
assign (segid="sam1" and resid 86 and name n)
       (segid="sam1" and resid 86 and name ca)
       (segid="sam1" and resid 86 and name c)
       (segid="sam1" and resid 87 and name n) 1  141 40.00 2

!a87 psi 
assign (segid="sam1" and resid 87 and name n)
       (segid="sam1" and resid 87 and name ca)
       (segid="sam1" and resid 87 and name c)
       (segid="sam1" and resid 88 and name n) 1  152 40.00 2

!F88 psi 
assign (segid="sam1" and resid 88 and name n)
       (segid="sam1" and resid 88 and name ca)
       (segid="sam1" and resid 88 and name c)
       (segid="sam1" and resid 89 and name n) 1  141 40.00 2


!L89 psi
assign (segid="sam1" and resid 89 and name n)
       (segid="sam1" and resid 89 and name ca)
       (segid="sam1" and resid 89 and name c)
       (segid="sam1" and resid 90 and name n) 1  121.2 40.0 2

!W90 psi
assign (segid="sam1" and resid 90 and name n)
       (segid="sam1" and resid 90 and name ca)
       (segid="sam1" and resid 90 and name c)
       (segid="sam1" and resid 91 and name n) 1  128.3 40.0 2

!v91 psi
assign (segid="sam1" and resid 91 and name n)
       (segid="sam1" and resid 91 and name ca)
       (segid="sam1" and resid 91 and name c)
       (segid="sam1" and resid 92 and name n) 1  141.5 40.0 2

!r92 psi
assign (segid="sam1" and resid 92 and name n)
       (segid="sam1" and resid 92 and name ca)
       (segid="sam1" and resid 92 and name c)
       (segid="sam1" and resid 93 and name n) 1  133.3 40.0 2 




!!! RDC values
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3   and name N   )
       ( resid 3   and name HN  )  10.88499 0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4   and name N   )
       ( resid 4   and name HN  )  13.43901  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5   and name N   )
       ( resid 5   and name HN  )  24.9321  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6   and name N   )
       ( resid 6   and name HN  )  4.43913  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7   and name N   )
       ( resid 7   and name HN  )  25.78344  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9   and name N   )
       ( resid 9   and name HN  )  20.2497  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  24.9321  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  16.05384  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  10.82418  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name N   )  
 ( resid 14   and name HN  )  9.24312  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  7.05396  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  10.9458  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  26.33073  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  13.74306  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  9.30393  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  16.17546  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -7.84449  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  25.72263  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -7.84449  0.2000



assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  8.14854  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  4.92561  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -8.5134  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  20.97945  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  13.01334  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  32.77659  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  7.11477  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  -3.46617  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -15.99303  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -30.04014  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  12.64847  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  17.93895  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  9.7296  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  10.82418  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  -19.70244  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  24.99291  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  26.69559  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  24.68886  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  -1.94592  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 58   and name N   )
       ( resid 58   and name HN  )  -18.243  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  24.9321  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  16.96599  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  21.58755  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  8.14854  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  5.95938  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )   13.07415 0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )   5.4729 0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -28.45908  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  -7.60125  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  -4.56075  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  -38.97921  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  10.88499  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  -1.94592  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  16.78356 0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )  22.37808  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )  14.95926  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -.042567 0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  ) 7.17558  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  -15.26331  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  25.11453  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )  20.85783  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  18.72948  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )  21.04026  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 88   and name N   )
       ( resid 88   and name HN  )  12.58767  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  14.77683  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 90   and name N   )
       ( resid 90   and name HN  )  20.43216  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 91   and name N   )
       ( resid 91   and name HN  )  13.92549  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )  6.38505  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )  29.73609  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  14.89845  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name N   )
       ( resid 100   and name HN  )  12.46605  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 101   and name N   )
       ( resid 101   and name HN  )  2.12835  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 102   and name N   )
       ( resid 102   and name HN  )  1.33782  0.2000


!!!!!CACB values


  !!    A2
 assign (segid="sam1" and resid  1  and name c ) (segid="sam1" and resid  2  and name n ) 
        (segid="sam1" and resid  2  and name ca) (segid="sam1" and resid  2  and name c )
 (segid="sam1" and resid  3  and name n )       52.3 19.2

  !!    K3
 assign (segid="sam1" and resid  2  and name c ) (segid="sam1" and resid  3  and name n )
        (segid="sam1" and resid  3  and name ca) (segid="sam1" and resid  3  and name c )  
 (segid="sam1" and resid  4  and name n )      56.2 32.8

  !!    N4
 assign (segid="sam1" and resid  3  and name c ) (segid="sam1" and resid  4  and name n )
        (segid="sam1" and resid  4  and name ca) (segid="sam1" and resid  4  and name c )
 (segid="sam1" and resid  5  and name n )      51.9 38.3

  !!    T5
 assign (segid="sam1" and resid  4  and name c ) (segid="sam1" and resid  5  and name n )
        (segid="sam1" and resid  5  and name ca) (segid="sam1" and resid  5  and name c )
 (segid="sam1" and resid  6  and name n )     60.4 72.7

  !!    V6
 assign (segid="sam1" and resid  5  and name c ) (segid="sam1" and resid  6  and name n )
        (segid="sam1" and resid  6  and name ca) (segid="sam1" and resid  6  and name c )
 (segid="sam1" and resid  7  and name n )              62.5 31.4

  !!    V7
 assign (segid="sam1" and resid  6  and name c ) (segid="sam1" and resid  7  and name n )
        (segid="sam1" and resid  7  and name ca) (segid="sam1" and resid  7  and name c )
 (segid="sam1" and resid  8  and name n )         64.4 32.3

  !!    R8
 assign (segid="sam1" and resid  7  and name c ) (segid="sam1" and resid  8  and name n )
        (segid="sam1" and resid  8  and name ca) (segid="sam1" and resid  8  and name c )
        (segid="sam1" and resid  9  and name n )        56.3 32.5

  !!    G9
 assign (segid="sam1" and resid  8  and name c ) (segid="sam1" and resid  9  and name n )
        (segid="sam1" and resid  9  and name ca) (segid="sam1" and resid  9  and name c )
 (segid="sam1" and resid  10  and name n )              43.8 0.00

  !!    L10
 assign (segid="sam1" and resid  9  and name c ) (segid="sam1" and resid  10  and name n )
        (segid="sam1" and resid 10  and name ca) (segid="sam1" and resid  10  and name c )
 (segid="sam1" and resid 11 and name n )        55.1 43.5

  !!    E11
 assign (segid="sam1" and resid 10 and name c ) (segid="sam1" and resid 11 and name n )
        (segid="sam1" and resid 11 and name ca) (segid="sam1" and resid 11 and name c )
 (segid="sam1" and resid 12 and name n )         54.2 32.7

  !!    N12
 assign (segid="sam1" and resid 11 and name c ) (segid="sam1" and resid 12 and name n )
        (segid="sam1" and resid 12 and name ca) (segid="sam1" and resid 12 and name c )
 (segid="sam1" and resid 13 and name n )              53.8 38.6

  !!    V13
 assign (segid="sam1" and resid 12 and name c ) (segid="sam1" and resid 13 and name n )
        (segid="sam1" and resid 13 and name ca) (segid="sam1" and resid 13 and name c )
 (segid="sam1" and resid 14 and name n )          62.2 36.2

  !!    E14
 assign (segid="sam1" and resid 13 and name c ) (segid="sam1" and resid 14 and name n )
        (segid="sam1" and resid 14 and name ca) (segid="sam1" and resid 14 and name c )
 (segid="sam1" and resid 15 and name n )          54.9 30.7

  !!    A15
 assign (segid="sam1" and resid 14 and name c ) (segid="sam1" and resid 15 and name n )
        (segid="sam1" and resid 15 and name ca) (segid="sam1" and resid 15 and name c )
 (segid="sam1" and resid 16 and name n )          49.7 23.5

  !!    L16
 assign (segid="sam1" and resid 15 and name c ) (segid="sam1" and resid 16 and name n )
        (segid="sam1" and resid 16 and name ca) (segid="sam1" and resid 16 and name c )
 (segid="sam1" and resid 17 and name n )         53.3 43.9

  !!    E17
 assign (segid="sam1" and resid 16 and name c ) (segid="sam1" and resid 17 and name n )
        (segid="sam1" and resid 17 and name ca) (segid="sam1" and resid 17 and name c )
 (segid="sam1" and resid 18 and name n )         57.9 29.8

  !!    G18
 assign (segid="sam1" and resid 17 and name c ) (segid="sam1" and resid 18 and name n )
        (segid="sam1" and resid 18 and name ca) (segid="sam1" and resid 18 and name c )
 (segid="sam1" and resid 19 and name n )         44.9 0.00

  !!    G19
assign  (segid="sam1" and resid 18 and name c ) (segid="sam1" and resid 19 and name n )
        (segid="sam1" and resid 19 and name ca) (segid="sam1" and resid 19 and name c )
        (segid="sam1" and resid 20 and name n )          43.6 0.00

  !!    E20
 assign (segid="sam1" and resid 19 and name c ) (segid="sam1" and resid 20 and name n )
        (segid="sam1" and resid 20 and name ca) (segid="sam1" and resid 20 and name c )
 (segid="sam1" and resid 21 and name n )          53.5 32.5

  !!    A21
 assign (segid="sam1" and resid 20 and name c ) (segid="sam1" and resid 21 and name n )
        (segid="sam1" and resid 21 and name ca) (segid="sam1" and resid 21 and name c )
 (segid="sam1" and resid 22 and name n )           51.1 25.02

  !!    L22
 assign (segid="sam1" and resid 21 and name c ) (segid="sam1" and resid 22 and name n )
        (segid="sam1" and resid 22 and name ca) (segid="sam1" and resid 22 and name c )
 (segid="sam1" and resid 23 and name n )          53.8 45.0

  !!    F23
 assign (segid="sam1" and resid 22 and name c ) (segid="sam1" and resid 23 and name n )
        (segid="sam1" and resid 23 and name ca) (segid="sam1" and resid 23 and name c )
 (segid="sam1" and resid 24 and name n )          57.4 42.6

  !!    E24
 assign (segid="sam1" and resid 23 and name c ) (segid="sam1" and resid 24 and name n )
        (segid="sam1" and resid 24 and name ca) (segid="sam1" and resid 24 and name c )
 (segid="sam1" and resid 25 and name n )         54.8 34.3

  !!    C25
 assign (segid="sam1" and resid 24 and name c ) (segid="sam1" and resid 25 and name n )
        (segid="sam1" and resid 25 and name ca) (segid="sam1" and resid 25 and name c )
 (segid="sam1" and resid 26 and name n )        55.7 30.9

  !!    Q26
 assign (segid="sam1" and resid 25 and name c ) (segid="sam1" and resid 26 and name n )
        (segid="sam1" and resid 26 and name ca) (segid="sam1" and resid 26 and name c )
 (segid="sam1" and resid 27 and name n )         54.0 32.3

  !!    L27
 assign (segid="sam1" and resid 26 and name c ) (segid="sam1" and resid 27 and name n )
        (segid="sam1" and resid 27 and name ca) (segid="sam1" and resid 27 and name c )
 (segid="sam1" and resid 28 and name n )          53.1 43.9

  !!    S28
 assign (segid="sam1" and resid 27 and name c ) (segid="sam1" and resid 28 and name n )
        (segid="sam1" and resid 28 and name ca) (segid="sam1" and resid 28 and name c )
 (segid="sam1" and resid 29 and name n )         60.1 63.47

  !!    Q29
 assign (segid="sam1" and resid 28 and name c ) (segid="sam1" and resid 29 and name n )
        (segid="sam1" and resid 29 and name ca) (segid="sam1" and resid 29 and name c )
 (segid="sam1" and resid 30 and name n )         52.3 29.11

  !!    P30
 assign (segid="sam1" and resid 29 and name c ) (segid="sam1" and resid 30 and name n )
        (segid="sam1" and resid 30 and name ca) (segid="sam1" and resid 30 and name c )
        (segid="sam1" and resid 31 and name n )         63.6 32.39

  !!    E31
 assign (segid="sam1" and resid 30 and name c ) (segid="sam1" and resid 31 and name n )
        (segid="sam1" and resid 31 and name ca) (segid="sam1" and resid 31 and name c )
        (segid="sam1" and resid 32 and name n )         55.6 32.4

  !!    V32
 assign (segid="sam1" and resid 31 and name c ) (segid="sam1" and resid 32 and name n )
        (segid="sam1" and resid 32 and name ca) (segid="sam1" and resid 32 and name c )
        (segid="sam1" and resid 33 and name n )         60.1 32.4

  !!    A33
 assign (segid="sam1" and resid 32 and name c ) (segid="sam1" and resid 33 and name n )
        (segid="sam1" and resid 33 and name ca) (segid="sam1" and resid 33 and name c )
        (segid="sam1" and resid 34 and name n )         53.7 22.3

  !!    A34
 assign (segid="sam1" and resid 33 and name c ) (segid="sam1" and resid 34 and name n )
        (segid="sam1" and resid 34 and name ca) (segid="sam1" and resid 34 and name c )
        (segid="sam1" and resid 35 and name n )         60.81 31.5

  !!    H35
 assign (segid="sam1" and resid 34 and name c ) (segid="sam1" and resid 35 and name n )
        (segid="sam1" and resid 35 and name ca) (segid="sam1" and resid 35 and name c )
        (segid="sam1" and resid 36 and name n )         55.7 31.9

  !!    T36
 assign (segid="sam1" and resid 35 and name c ) (segid="sam1" and resid 36 and name n )
        (segid="sam1" and resid 36 and name ca) (segid="sam1" and resid 36 and name c )
        (segid="sam1" and resid 37 and name n )         62.0 72.5

  !!    W37
 assign (segid="sam1" and resid 36 and name c ) (segid="sam1" and resid 37 and name n )
       (segid="sam1" and resid 37 and name ca) (segid="sam1" and resid 37 and name c )
  (segid="sam1" and resid 38 and name n )       55.7 31.5

  !!    L38
 assign (segid="sam1" and resid 37 and name c ) (segid="sam1" and resid 38 and name n )
        (segid="sam1" and resid 38 and name ca) (segid="sam1" and resid 38 and name c )
 (segid="sam1" and resid 39 and name n )         54.0 45.8

  !!    L39
 assign (segid="sam1" and resid 38 and name c ) (segid="sam1" and resid 39 and name n )
        (segid="sam1" and resid 39 and name ca) (segid="sam1" and resid 39 and name c )
        (segid="sam1" and resid 40 and name n )         53.4 39.5

  !!    d40
 assign (segid="sam1" and resid 39 and name c ) (segid="sam1" and resid 40 and name n )
        (segid="sam1" and resid 40 and name ca) (segid="sam1" and resid 40 and name c )
        (segid="sam1" and resid 41 and name n )         57.1 39.4

  !!    d41
 assign (segid="sam1" and resid 40 and name c ) (segid="sam1" and resid 41 and name n )
        (segid="sam1" and resid 41 and name ca) (segid="sam1" and resid 41 and name c )
 (segid="sam1" and resid 42 and name n )        55.7 40.8

  !!    e42
 assign (segid="sam1" and resid 41 and name c ) (segid="sam1" and resid 42 and name n )
        (segid="sam1" and resid 42 and name ca) (segid="sam1" and resid 42 and name c )
 (segid="sam1" and resid 43 and name n )         52.9 31.3

  !!    p43
 assign (segid="sam1" and resid 42 and name c ) (segid="sam1" and resid 43 and name n )
        (segid="sam1" and resid 43 and name ca) (segid="sam1" and resid 43 and name c )
        (segid="sam1" and resid 44 and name n )          62.7 32.0

  !!    v44
 assign (segid="sam1" and resid 43 and name c ) (segid="sam1" and resid 44 and name n )
        (segid="sam1" and resid 44 and name ca) (segid="sam1" and resid 44 and name c )
 (segid="sam1" and resid 45 and name n )         61.3 33.6

  !!    r45
 assign (segid="sam1" and resid 44 and name c ) (segid="sam1" and resid 45 and name n )
        (segid="sam1" and resid 45 and name ca) (segid="sam1" and resid 45 and name c )
 (segid="sam1" and resid 46 and name n )          54 31.5

  !!    t46
 assign (segid="sam1" and resid 45 and name c ) (segid="sam1" and resid 46 and name n )
        (segid="sam1" and resid 46 and name ca) (segid="sam1" and resid 46 and name c )
 (segid="sam1" and resid 47 and name n )          64.2 69.2

  !!    s47
 assign (segid="sam1" and resid 46 and name c ) (segid="sam1" and resid 47 and name n )
        (segid="sam1" and resid 47 and name ca) (segid="sam1" and resid 47 and name c )
 (segid="sam1" and resid 48 and name n )          58.3 64.6

  !!    e48
 assign (segid="sam1" and resid 47 and name c ) (segid="sam1" and resid 48 and name n )
        (segid="sam1" and resid 48 and name ca) (segid="sam1" and resid 48 and name c )
 (segid="sam1" and resid 49 and name n )          59.7 29.1

  !!    n49
 assign (segid="sam1" and resid 48 and name c ) (segid="sam1" and resid 49 and name n )
        (segid="sam1" and resid 49 and name ca) (segid="sam1" and resid 49 and name c )
 (segid="sam1" and resid 50 and name n )         52.7 39.6

  !!    a50
 assign (segid="sam1" and resid 49 and name c ) (segid="sam1" and resid 50 and name n )
        (segid="sam1" and resid 50 and name ca) (segid="sam1" and resid 50 and name c )
 (segid="sam1" and resid 51 and name n )         52.0 21.7

  !!    e51
 assign (segid="sam1" and resid 50 and name c ) (segid="sam1" and resid 51 and name n )
        (segid="sam1" and resid 51 and name ca) (segid="sam1" and resid 51 and name c )
 (segid="sam1" and resid 52 and name n )          55.3 33.1

  !!    v52
 assign (segid="sam1" and resid 51 and name c ) (segid="sam1" and resid 52 and name n )
        (segid="sam1" and resid 52 and name ca) (segid="sam1" and resid 52 and name c )
 (segid="sam1" and resid 53 and name n )        61.4 33.3

  !!    v53
 assign (segid="sam1" and resid 52 and name c ) (segid="sam1" and resid 53 and name n )
        (segid="sam1" and resid 53 and name ca) (segid="sam1" and resid 53 and name c )
 (segid="sam1" and resid 54 and name n )         60.3 36.8

  !!    f54
 assign (segid="sam1" and resid 53 and name c ) (segid="sam1" and resid 54 and name n )
        (segid="sam1" and resid 54 and name ca) (segid="sam1" and resid 54 and name c )
 (segid="sam1" and resid 55 and name n )          55.9 40.9

  !!    f55
 assign (segid="sam1" and resid 54 and name c ) (segid="sam1" and resid 55 and name n )
        (segid="sam1" and resid 55 and name ca) (segid="sam1" and resid 55 and name c )
 (segid="sam1" and resid 56 and name n )         56.8 43.8

  !!    e56
 assign (segid="sam1" and resid 55 and name c ) (segid="sam1" and resid 56 and name n )
        (segid="sam1" and resid 56 and name ca) (segid="sam1" and resid 56 and name c )
 (segid="sam1" and resid 57 and name n )          56.0 27.5

  !!    n57
 assign (segid="sam1" and resid 56 and name c ) (segid="sam1" and resid 57 and name n )
        (segid="sam1" and resid 57 and name ca) (segid="sam1" and resid 57 and name c )
 (segid="sam1" and resid 58 and name n )          54.3 37.6

  !!    g58
 assign (segid="sam1" and resid 57 and name c ) (segid="sam1" and resid 58 and name n )
        (segid="sam1" and resid 58 and name ca) (segid="sam1" and resid 58 and name c )
 (segid="sam1" and resid 59 and name n )          45.0 0.00

  !!    L59
 assign (segid="sam1" and resid 58 and name c ) (segid="sam1" and resid 59 and name n )
        (segid="sam1" and resid 59 and name ca) (segid="sam1" and resid 59 and name c )
 (segid="sam1" and resid 60 and name n )          56.6 43.5

  !!    r60
 assign (segid="sam1" and resid 59 and name c ) (segid="sam1" and resid 60 and name n )
        (segid="sam1" and resid 60 and name ca) (segid="sam1" and resid 60 and name c )
 (segid="sam1" and resid 61 and name n )          54.8 33.9

  !!    h61
 assign (segid="sam1" and resid 60 and name c ) (segid="sam1" and resid 61 and name n )
        (segid="sam1" and resid 61 and name ca) (segid="sam1" and resid 61 and name c )
 (segid="sam1" and resid 62 and name n )          56.8 35.9

  !!    L62
 assign (segid="sam1" and resid 61 and name c ) (segid="sam1" and resid 62 and name n )
        (segid="sam1" and resid 62 and name ca) (segid="sam1" and resid 62 and name c )
 (segid="sam1" and resid 63 and name n )         55.0 47.1

  !!    L63
 assign (segid="sam1" and resid 62 and name c ) (segid="sam1" and resid 63 and name n )
        (segid="sam1" and resid 63 and name ca) (segid="sam1" and resid 63 and name c )
 (segid="sam1" and resid 64 and name n )          52.8 42.6

  !!    L64
 assign (segid="sam1" and resid 63 and name c ) (segid="sam1" and resid 64 and name n )
        (segid="sam1" and resid 64 and name ca) (segid="sam1" and resid 64 and name c )
 (segid="sam1" and resid 65 and name n )          53.5 44.7

  !!    L65
 assign (segid="sam1" and resid 64 and name c ) (segid="sam1" and resid 65 and name n )
        (segid="sam1" and resid 65 and name ca) (segid="sam1" and resid 65 and name c )
 (segid="sam1" and resid 66 and name n )         53.1 45.1

  !!    K66
 assign (segid="sam1" and resid 65 and name c ) (segid="sam1" and resid 66 and name n )
        (segid="sam1" and resid 66 and name ca) (segid="sam1" and resid 66 and name c )
 (segid="sam1" and resid 67 and name n )          54.7 36.6

  !!    N67
 assign (segid="sam1" and resid 66 and name c ) (segid="sam1" and resid 67 and name n )
        (segid="sam1" and resid 67 and name ca) (segid="sam1" and resid 67 and name c )
 (segid="sam1" and resid 68 and name n )          53.9 36.7

  !!    L68
 assign (segid="sam1" and resid 67 and name c ) (segid="sam1" and resid 68 and name n )
        (segid="sam1" and resid 68 and name ca) (segid="sam1" and resid 68 and name c )
        (segid="sam1" and resid 69 and name n )          56.4 43.7

  !!    R69
 assign (segid="sam1" and resid 68 and name c ) (segid="sam1" and resid 69 and name n )
        (segid="sam1" and resid 69 and name ca) (segid="sam1" and resid 69 and name c )
 (segid="sam1" and resid 70 and name n )         53.1 30.5

  !!    P70
 assign (segid="sam1" and resid 69 and name c ) (segid="sam1" and resid 70 and name n )
        (segid="sam1" and resid 70 and name ca) (segid="sam1" and resid 70 and name c )
 (segid="sam1" and resid 71 and name n )          66.0 31.6

  !!    Q71
 assign (segid="sam1" and resid 70 and name c ) (segid="sam1" and resid 71 and name n )
        (segid="sam1" and resid 71 and name ca) (segid="sam1" and resid 71 and name c )
 (segid="sam1" and resid 72 and name n )         57.4 27.9

  !!    d72
 assign (segid="sam1" and resid 71 and name c ) (segid="sam1" and resid 72 and name n )
        (segid="sam1" and resid 72 and name ca) (segid="sam1" and resid 72 and name c )
 (segid="sam1" and resid 73 and name n )         55.5 41.5

  !!    s73
 assign (segid="sam1" and resid 72 and name c ) (segid="sam1" and resid 73 and name n )
        (segid="sam1" and resid 73 and name ca) (segid="sam1" and resid 73 and name c )
 (segid="sam1" and resid 74 and name n )         60.9 64.0

  !!    c74
 assign (segid="sam1" and resid 73 and name c ) (segid="sam1" and resid 74 and name n )
        (segid="sam1" and resid 74 and name ca) (segid="sam1" and resid 74 and name c )
 (segid="sam1" and resid 75 and name n )          57.1 29.6

  !!    r75
 assign (segid="sam1" and resid 74 and name c ) (segid="sam1" and resid 75 and name n )
        (segid="sam1" and resid 75 and name ca) (segid="sam1" and resid 75 and name c )
        (segid="sam1" and resid 76 and name n )                           56.1 30.3

  !!    V76
 assign (segid="sam1" and resid 75 and name c ) (segid="sam1" and resid 76 and name n )
        (segid="sam1" and resid 76 and name ca) (segid="sam1" and resid 76 and name c )
 (segid="sam1" and resid 77 and name n )       61.9 33.6

  !!    t77
 assign (segid="sam1" and resid 76 and name c ) (segid="sam1" and resid 77 and name n )
        (segid="sam1" and resid 77 and name ca) (segid="sam1" and resid 77 and name c )
 (segid="sam1" and resid 78 and name n )         61.6 72.3

  !!    f78
 assign (segid="sam1" and resid 77 and name c ) (segid="sam1" and resid 78 and name n )
        (segid="sam1" and resid 78 and name ca) (segid="sam1" and resid 78 and name c )
 (segid="sam1" and resid 79 and name n )          56.8 40.4

  !!    L79
 assign (segid="sam1" and resid 78 and name c ) (segid="sam1" and resid 79 and name n )
        (segid="sam1" and resid 79 and name ca) (segid="sam1" and resid 79 and name c )
 (segid="sam1" and resid 80 and name n )          53.0 46.1

  !!    A80
 assign (segid="sam1" and resid 79 and name c ) (segid="sam1" and resid 80 and name n )
        (segid="sam1" and resid 80 and name ca) (segid="sam1" and resid 80 and name c )
 (segid="sam1" and resid 81 and name n )          51.6 19.7

  !!    g81
 assign (segid="sam1" and resid 80 and name c ) (segid="sam1" and resid 81 and name n )
        (segid="sam1" and resid 81 and name ca) (segid="sam1" and resid 81 and name c )
 (segid="sam1" and resid 82 and name n )         47.3 0.00

  !!    d82
 assign (segid="sam1" and resid 81 and name c ) (segid="sam1" and resid 82 and name n )
        (segid="sam1" and resid 82 and name ca) (segid="sam1" and resid 82 and name c )
 (segid="sam1" and resid 83 and name n )          54.2 40.7

  !!    m83
 assign (segid="sam1" and resid 82 and name c ) (segid="sam1" and resid 83 and name n )
        (segid="sam1" and resid 83 and name ca) (segid="sam1" and resid 83 and name c )
        (segid="sam1" and resid 84 and name n )          55.7 34.1

  !!    v84
 assign (segid="sam1" and resid 83 and name c ) (segid="sam1" and resid 84 and name n )
        (segid="sam1" and resid 84 and name ca) (segid="sam1" and resid 84 and name c )
 (segid="sam1" and resid 85 and name n )          60.4 35.3

  !!    t85
 assign (segid="sam1" and resid 84 and name c ) (segid="sam1" and resid 85 and name n )
        (segid="sam1" and resid 85 and name ca) (segid="sam1" and resid 85 and name c )
 (segid="sam1" and resid 86 and name n )          60.6 69.3

  !!    s86
 assign (segid="sam1" and resid 85 and name c ) (segid="sam1" and resid 86 and name n )
        (segid="sam1" and resid 86 and name ca) (segid="sam1" and resid 86 and name c )
 (segid="sam1" and resid 87 and name n )         56.9 67.9

  !!    a87
 assign (segid="sam1" and resid 86 and name c ) (segid="sam1" and resid 87 and name n )
        (segid="sam1" and resid 87 and name ca) (segid="sam1" and resid 87 and name c )
        (segid="sam1" and resid 88 and name n )         51.7 22.5

  !!    F88
 assign (segid="sam1" and resid 87 and name c ) (segid="sam1" and resid 88 and name n )
        (segid="sam1" and resid 88 and name ca) (segid="sam1" and resid 88 and name c )
 (segid="sam1" and resid 89 and name n )          58.5 41.8

  !!    L89
 assign (segid="sam1" and resid 88 and name c ) (segid="sam1" and resid 89 and name n )
        (segid="sam1" and resid 89 and name ca) (segid="sam1" and resid 89 and name c )
 (segid="sam1" and resid 90 and name n )          53.7 44.6

  !!    T90
 assign (segid="sam1" and resid 89 and name c ) (segid="sam1" and resid 90 and name n )
        (segid="sam1" and resid 90 and name ca) (segid="sam1" and resid 90 and name c )
 (segid="sam1" and resid 91 and name n )         61.9 70.6

  !!    v91
 assign (segid="sam1" and resid 90 and name c ) (segid="sam1" and resid 91 and name n )
        (segid="sam1" and resid 91 and name ca) (segid="sam1" and resid 91 and name c )
 (segid="sam1" and resid 92 and name n )        60.2 42.5

  !!    r92
 assign (segid="sam1" and resid 91 and name c ) (segid="sam1" and resid 92 and name n )
        (segid="sam1" and resid 92 and name ca) (segid="sam1" and resid 92 and name c )
 (segid="sam1" and resid 93 and name n )         54.9 31.9
 
!!    g93
 assign (segid="sam1" and resid 92 and name c ) (segid="sam1" and resid 93 and name n )
        (segid="sam1" and resid 93 and name ca) (segid="sam1" and resid 93 and name c )
 (segid="sam1" and resid 94 and name n )         44.9 0.00      

!!    g94
 assign (segid="sam1" and resid 93 and name c ) (segid="sam1" and resid 94 and name n )
        (segid="sam1" and resid 94 and name ca) (segid="sam1" and resid 94 and name c )
 (segid="sam1" and resid 95 and name n )         45.1 0.00

!!    L95
 assign (segid="sam1" and resid 94 and name c ) (segid="sam1" and resid 95 and name n )
        (segid="sam1" and resid 95 and name ca) (segid="sam1" and resid 95 and name c )
 (segid="sam1" and resid 96 and name n )         53.5 43.9
 
!!    e96
 assign (segid="sam1" and resid 95 and name c ) (segid="sam1" and resid 96 and name n )
        (segid="sam1" and resid 96 and name ca) (segid="sam1" and resid 96 and name c )
 (segid="sam1" and resid 97 and name n )         57.9 29.8

 !!    H97
 assign (segid="sam1" and resid 96 and name c ) (segid="sam1" and resid 97 and name n )
        (segid="sam1" and resid 97 and name ca) (segid="sam1" and resid 97 and name c )
 (segid="sam1" and resid 98 and name n )         56.7 31.1




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           HT1      THR   1  56.723   1.113  -2.592
    2    H2   THR   1           HT2      THR   1  56.367  -0.267  -3.519
    3    H3   THR   1           HT3      THR   1  55.233   0.326  -2.403
    4    HA   THR   1           HA       THR   1  56.164   2.013  -4.636
    5    HB   THR   1           HB       THR   1  55.386   0.080  -5.800
    6    HG1  THR   1           HG1      THR   1  52.939   1.374  -5.612
    7   HG21  THR   1          HG21      THR   1  54.441  -1.101  -3.854
    8   HG22  THR   1          HG22      THR   1  53.291  -1.076  -5.188
    9   HG23  THR   1          HG23      THR   1  53.085   0.027  -3.826
   10    H    ALA   2           HN       ALA   2  55.803   3.146  -2.300
   11    HA   ALA   2           HA       ALA   2  53.110   4.358  -2.460
   12    HB1  ALA   2           HB1      ALA   2  54.460   3.209  -0.020
   13    HB2  ALA   2           HB2      ALA   2  52.829   2.907  -0.618
   14    HB3  ALA   2           HB3      ALA   2  53.226   4.463   0.111
   15    H    LYS   3           HN       LYS   3  56.411   4.579  -1.159
   16    HA   LYS   3           HA       LYS   3  56.604   7.334  -1.963
   17    HB2  LYS   3           HB2      LYS   3  55.347   7.622   0.131
   18    HB3  LYS   3           HB1      LYS   3  56.541   6.658   0.993
   19    HG2  LYS   3           HG2      LYS   3  56.979   9.007   1.412
   20    HG3  LYS   3           HG1      LYS   3  58.279   8.371   0.414
   21    HD2  LYS   3           HD2      LYS   3  57.406   9.417  -1.553
   22    HD3  LYS   3           HD1      LYS   3  55.867   9.769  -0.765
   23    HE2  LYS   3           HE2      LYS   3  56.928  11.374   0.707
   24    HE3  LYS   3           HE1      LYS   3  58.529  10.924   0.120
   25    HZ1  LYS   3           HZ1      LYS   3  56.745  11.659  -1.993
   26    HZ2  LYS   3           HZ2      LYS   3  58.308  12.227  -1.649
   27    HZ3  LYS   3           HZ3      LYS   3  56.960  12.916  -0.874
   28    H    ASN   4           HN       ASN   4  58.683   7.582  -2.629
   29    HA   ASN   4           HA       ASN   4  60.829   6.359  -1.074
   30    HB2  ASN   4           HB2      ASN   4  61.897   5.402  -3.029
   31    HB3  ASN   4           HB1      ASN   4  60.273   4.735  -2.885
   32   HD21  ASN   4          HD21      ASN   4  61.990   5.144  -5.351
   33   HD22  ASN   4          HD22      ASN   4  61.030   6.076  -6.395
   34    H    THR   5           HN       THR   5  62.102   8.006  -0.561
   35    HA   THR   5           HA       THR   5  63.010   9.810  -2.681
   36    HB   THR   5           HB       THR   5  61.547  10.898  -0.268
   37    HG1  THR   5           HG1      THR   5  60.126  11.600  -2.080
   38   HG21  THR   5          HG21      THR   5  63.333  12.363  -1.091
   39   HG22  THR   5          HG22      THR   5  61.754  13.044  -1.486
   40   HG23  THR   5          HG23      THR   5  62.702  12.233  -2.732
   41    H    VAL   6           HN       VAL   6  65.129   9.601  -2.382
   42    HA   VAL   6           HA       VAL   6  66.368   9.079   0.108
   43    HB   VAL   6           HB       VAL   6  67.361   8.576  -2.132
   44   HG11  VAL   6          HG11      VAL   6  68.361  10.292  -3.443
   45   HG12  VAL   6          HG12      VAL   6  68.216  11.477  -2.144
   46   HG13  VAL   6          HG13      VAL   6  66.776  10.933  -3.007
   47   HG21  VAL   6          HG21      VAL   6  69.699   9.328  -1.454
   48   HG22  VAL   6          HG22      VAL   6  68.810   8.422  -0.232
   49   HG23  VAL   6          HG23      VAL   6  68.944  10.175  -0.106
   50    H    VAL   7           HN       VAL   7  67.153  10.326   1.637
   51    HA   VAL   7           HA       VAL   7  66.686  13.235   1.480
   52    HB   VAL   7           HB       VAL   7  67.275  11.419   3.835
   53   HG11  VAL   7          HG11      VAL   7  66.774  14.388   3.573
   54   HG12  VAL   7          HG12      VAL   7  68.072  13.565   4.439
   55   HG13  VAL   7          HG13      VAL   7  66.427  13.531   5.075
   56   HG21  VAL   7          HG21      VAL   7  65.060  11.012   2.873
   57   HG22  VAL   7          HG22      VAL   7  64.718  12.742   2.867
   58   HG23  VAL   7          HG23      VAL   7  64.887  11.881   4.398
   59    H    ARG   8           HN       ARG   8  69.102  10.773   2.210
   60    HA   ARG   8           HA       ARG   8  71.248  12.716   1.682
   61    HB2  ARG   8           HB2      ARG   8  71.512  12.673   3.982
   62    HB3  ARG   8           HB1      ARG   8  70.758  11.089   4.139
   63    HG2  ARG   8           HG2      ARG   8  72.737   9.958   3.430
   64    HG3  ARG   8           HG1      ARG   8  73.484  11.457   2.871
   65    HD2  ARG   8           HD2      ARG   8  72.739  10.892   5.762
   66    HD3  ARG   8           HD1      ARG   8  74.356  10.661   5.099
   67    HE   ARG   8           HE       ARG   8  73.723  13.262   4.471
   68   HH11  ARG   8          HH21      ARG   8  74.131  11.302   7.287
   69   HH12  ARG   8          HH22      ARG   8  74.395  12.643   8.353
   70   HH21  ARG   8          HH11      ARG   8  73.940  15.034   5.889
   71   HH22  ARG   8          HH12      ARG   8  74.287  14.753   7.562
   72    H    GLY   9           HN       GLY   9  72.633  11.970   0.232
   73    HA2  GLY   9           HA2      GLY   9  72.480   9.162  -0.593
   74    HA3  GLY   9           HA1      GLY   9  73.261  10.478  -1.479
   75    H    LEU  10           HN       LEU  10  74.978   8.679  -1.512
   76    HA   LEU  10           HA       LEU  10  76.446   8.204   0.897
   77    HB2  LEU  10           HB2      LEU  10  77.125   7.734  -2.013
   78    HB3  LEU  10           HB1      LEU  10  78.083   7.147  -0.654
   79    HG   LEU  10           HG       LEU  10  75.132   6.516  -0.727
   80   HD11  LEU  10          HD11      LEU  10  77.255   4.872  -2.136
   81   HD12  LEU  10          HD12      LEU  10  76.088   5.890  -2.975
   82   HD13  LEU  10          HD13      LEU  10  75.536   4.509  -2.029
   83   HD21  LEU  10          HD21      LEU  10  76.536   5.954   1.261
   84   HD22  LEU  10          HD22      LEU  10  77.568   4.980   0.214
   85   HD23  LEU  10          HD23      LEU  10  75.887   4.515   0.476
   86    H    GLU  11           HN       GLU  11  78.842   8.747   1.012
   87    HA   GLU  11           HA       GLU  11  79.497  11.352  -0.197
   88    HB2  GLU  11           HB2      GLU  11  80.168  12.258   1.977
   89    HB3  GLU  11           HB1      GLU  11  78.457  11.836   1.991
   90    HG2  GLU  11           HG2      GLU  11  79.010   9.676   3.082
   91    HG3  GLU  11           HG1      GLU  11  80.711  10.136   3.111
   92    H    ASN  12           HN       ASN  12  81.813  11.929   0.249
   93    HA   ASN  12           HA       ASN  12  83.513   9.821  -0.538
   94    HB2  ASN  12           HB2      ASN  12  85.358  11.380  -0.138
   95    HB3  ASN  12           HB1      ASN  12  84.033  12.194  -0.966
   96   HD21  ASN  12          HD21      ASN  12  85.561  14.002   0.226
   97   HD22  ASN  12          HD22      ASN  12  84.946  14.516   1.723
   98    H    VAL  13           HN       VAL  13  85.026   8.602   0.591
   99    HA   VAL  13           HA       VAL  13  84.886   8.715   3.558
  100    HB   VAL  13           HB       VAL  13  84.666   6.267   1.789
  101   HG11  VAL  13          HG11      VAL  13  85.440   6.535   4.699
  102   HG12  VAL  13          HG12      VAL  13  86.194   5.548   3.448
  103   HG13  VAL  13          HG13      VAL  13  84.623   5.084   4.108
  104   HG21  VAL  13          HG21      VAL  13  82.963   7.444   4.012
  105   HG22  VAL  13          HG22      VAL  13  82.644   5.903   3.216
  106   HG23  VAL  13          HG23      VAL  13  82.561   7.408   2.293
  107    H    GLU  14           HN       GLU  14  86.793   8.790   4.522
  108    HA   GLU  14           HA       GLU  14  89.222   8.067   2.972
  109    HB2  GLU  14           HB2      GLU  14  89.029  10.500   3.274
  110    HB3  GLU  14           HB1      GLU  14  88.887  10.276   5.017
  111    HG2  GLU  14           HG2      GLU  14  91.118   9.312   5.126
  112    HG3  GLU  14           HG1      GLU  14  91.269   9.370   3.370
  113    H    ALA  15           HN       ALA  15  90.317   6.444   3.803
  114    HA   ALA  15           HA       ALA  15  90.574   6.127   6.702
  115    HB1  ALA  15           HB1      ALA  15  89.332   4.068   4.865
  116    HB2  ALA  15           HB2      ALA  15  88.640   4.769   6.332
  117    HB3  ALA  15           HB3      ALA  15  90.006   3.661   6.444
  118    H    LEU  16           HN       LEU  16  92.585   5.380   7.240
  119    HA   LEU  16           HA       LEU  16  94.514   5.079   5.136
  120    HB2  LEU  16           HB2      LEU  16  96.031   4.433   7.156
  121    HB3  LEU  16           HB1      LEU  16  95.437   6.084   7.036
  122    HG   LEU  16           HG       LEU  16  93.714   4.128   8.519
  123   HD11  LEU  16          HD11      LEU  16  95.043   4.589  10.616
  124   HD12  LEU  16          HD12      LEU  16  96.329   5.222   9.588
  125   HD13  LEU  16          HD13      LEU  16  95.849   3.530   9.459
  126   HD21  LEU  16          HD21      LEU  16  93.408   6.741   8.089
  127   HD22  LEU  16          HD22      LEU  16  94.487   6.878   9.476
  128   HD23  LEU  16          HD23      LEU  16  92.950   6.028   9.635
  129    H    GLU  17           HN       GLU  17  96.018   3.220   5.048
  130    HA   GLU  17           HA       GLU  17  94.759   0.863   4.352
  131    HB2  GLU  17           HB2      GLU  17  96.964  -0.183   4.410
  132    HB3  GLU  17           HB1      GLU  17  97.079   1.437   3.727
  133    HG2  GLU  17           HG2      GLU  17  97.700   2.274   6.024
  134    HG3  GLU  17           HG1      GLU  17  97.787   0.593   6.545
  135    H    GLY  18           HN       GLY  18  94.308  -1.047   5.315
  136    HA2  GLY  18           HA2      GLY  18  93.923  -2.602   6.938
  137    HA3  GLY  18           HA1      GLY  18  95.104  -1.777   7.947
  138    H    GLY  19           HN       GLY  19  92.430   0.029   6.666
  139    HA2  GLY  19           HA2      GLY  19  91.272   0.219   9.393
  140    HA3  GLY  19           HA1      GLY  19  91.162   1.462   8.151
  141    H    GLU  20           HN       GLU  20  88.839   1.224   8.886
  142    HA   GLU  20           HA       GLU  20  87.454  -0.821   7.236
  143    HB2  GLU  20           HB2      GLU  20  85.524  -0.356   8.935
  144    HB3  GLU  20           HB1      GLU  20  86.843  -1.420   9.422
  145    HG2  GLU  20           HG2      GLU  20  86.959   1.545   9.976
  146    HG3  GLU  20           HG1      GLU  20  86.115   0.449  11.068
  147    H    ALA  21           HN       ALA  21  85.206  -0.037   6.616
  148    HA   ALA  21           HA       ALA  21  85.131   2.910   6.227
  149    HB1  ALA  21           HB1      ALA  21  84.454   2.658   3.894
  150    HB2  ALA  21           HB2      ALA  21  84.627   0.910   4.011
  151    HB3  ALA  21           HB3      ALA  21  86.044   1.945   4.144
  152    H    LEU  22           HN       LEU  22  83.151   3.817   6.380
  153    HA   LEU  22           HA       LEU  22  80.831   1.996   6.607
  154    HB2  LEU  22           HB2      LEU  22  81.223   4.426   8.349
  155    HB3  LEU  22           HB1      LEU  22  80.044   3.131   8.534
  156    HG   LEU  22           HG       LEU  22  82.331   1.649   8.636
  157   HD11  LEU  22          HD11      LEU  22  83.732   3.727   8.428
  158   HD12  LEU  22          HD12      LEU  22  84.050   2.802   9.895
  159   HD13  LEU  22          HD13      LEU  22  83.073   4.268   9.971
  160   HD21  LEU  22          HD21      LEU  22  80.913   3.131  10.863
  161   HD22  LEU  22          HD22      LEU  22  82.164   1.927  11.176
  162   HD23  LEU  22          HD23      LEU  22  80.681   1.460  10.348
  163    H    PHE  23           HN       PHE  23  79.340   2.459   5.156
  164    HA   PHE  23           HA       PHE  23  79.028   5.262   4.229
  165    HB2  PHE  23           HB2      PHE  23  78.617   2.594   2.881
  166    HB3  PHE  23           HB1      PHE  23  77.878   4.062   2.262
  167    HD1  PHE  23           HD1      PHE  23  79.292   5.955   1.477
  168    HD2  PHE  23           HD2      PHE  23  80.989   2.195   2.678
  169    HE1  PHE  23           HE1      PHE  23  81.417   6.551   0.344
  170    HE2  PHE  23           HE2      PHE  23  83.112   2.790   1.541
  171    HZ   PHE  23           HZ       PHE  23  83.325   4.967   0.376
  172    H    GLU  24           HN       GLU  24  77.395   6.103   5.462
  173    HA   GLU  24           HA       GLU  24  74.974   4.460   5.915
  174    HB2  GLU  24           HB2      GLU  24  76.015   6.951   7.274
  175    HB3  GLU  24           HB1      GLU  24  74.426   6.254   7.597
  176    HG2  GLU  24           HG2      GLU  24  75.444   4.146   8.277
  177    HG3  GLU  24           HG1      GLU  24  77.046   4.752   7.862
  178    H    CYS  25           HN       CYS  25  73.334   4.740   4.645
  179    HA   CYS  25           HA       CYS  25  72.790   7.391   3.402
  180    HB2  CYS  25           HB2      CYS  25  73.427   5.532   1.804
  181    HB3  CYS  25           HB1      CYS  25  71.984   4.671   2.339
  182    HG   CYS  25           HG       CYS  25  70.668   6.083   0.805
  183    H    GLN  26           HN       GLN  26  70.928   8.286   3.941
  184    HA   GLN  26           HA       GLN  26  68.902   6.665   5.382
  185    HB2  GLN  26           HB2      GLN  26  69.791   8.308   6.853
  186    HB3  GLN  26           HB1      GLN  26  69.786   9.547   5.603
  187    HG2  GLN  26           HG2      GLN  26  67.384   9.658   5.623
  188    HG3  GLN  26           HG1      GLN  26  67.278   8.259   6.693
  189   HE21  GLN  26          HE21      GLN  26  66.228  10.955   7.278
  190   HE22  GLN  26          HE22      GLN  26  67.060  11.513   8.648
  191    H    LEU  27           HN       LEU  27  67.148   6.231   4.166
  192    HA   LEU  27           HA       LEU  27  66.143   8.341   2.350
  193    HB2  LEU  27           HB2      LEU  27  65.397   6.316   0.860
  194    HB3  LEU  27           HB1      LEU  27  67.036   6.936   0.732
  195    HG   LEU  27           HG       LEU  27  66.915   4.448   0.821
  196   HD11  LEU  27          HD11      LEU  27  68.770   6.082   2.036
  197   HD12  LEU  27          HD12      LEU  27  68.934   4.341   1.841
  198   HD13  LEU  27          HD13      LEU  27  68.332   4.999   3.358
  199   HD21  LEU  27          HD21      LEU  27  66.126   3.267   2.685
  200   HD22  LEU  27          HD22      LEU  27  64.939   4.559   2.513
  201   HD23  LEU  27          HD23      LEU  27  66.209   4.677   3.739
  202    H    SER  28           HN       SER  28  63.922   8.342   1.955
  203    HA   SER  28           HA       SER  28  62.335   7.238   4.162
  204    HB2  SER  28           HB2      SER  28  62.153   9.659   3.512
  205    HB3  SER  28           HB1      SER  28  61.485   9.142   1.967
  206    HG   SER  28           HG       SER  28  60.412   8.182   4.386
  207    H    GLN  29           HN       GLN  29  62.035   5.102   3.641
  208    HA   GLN  29           HA       GLN  29  59.978   4.472   1.799
  209    HB2  GLN  29           HB2      GLN  29  61.755   4.751   0.150
  210    HB3  GLN  29           HB1      GLN  29  62.789   3.654   1.041
  211    HG2  GLN  29           HG2      GLN  29  61.494   2.741  -1.022
  212    HG3  GLN  29           HG1      GLN  29  61.539   1.771   0.442
  213   HE21  GLN  29          HE21      GLN  29  59.440   3.056  -1.899
  214   HE22  GLN  29          HE22      GLN  29  57.986   2.891  -1.039
  215    HA   PRO  30           HA       PRO  30  60.800   1.355   5.112
  216    HB2  PRO  30           HB2      PRO  30  57.980   1.430   5.811
  217    HB3  PRO  30           HB1      PRO  30  59.357   1.990   6.769
  218    HG2  PRO  30           HG2      PRO  30  57.429   3.628   5.621
  219    HG3  PRO  30           HG1      PRO  30  59.028   4.154   6.171
  220    HD2  PRO  30           HD2      PRO  30  58.080   3.616   3.384
  221    HD3  PRO  30           HD1      PRO  30  59.300   4.776   3.967
  222    H    GLU  31           HN       GLU  31  60.467   0.830   2.349
  223    HA   GLU  31           HA       GLU  31  59.083  -1.742   2.472
  224    HB2  GLU  31           HB2      GLU  31  57.383  -0.125   1.642
  225    HB3  GLU  31           HB1      GLU  31  58.472   0.314   0.328
  226    HG2  GLU  31           HG2      GLU  31  58.433  -1.978  -0.517
  227    HG3  GLU  31           HG1      GLU  31  57.429  -2.485   0.840
  228    H    VAL  32           HN       VAL  32  59.770  -3.173   0.784
  229    HA   VAL  32           HA       VAL  32  62.197  -2.302  -0.684
  230    HB   VAL  32           HB       VAL  32  61.760  -4.900   0.817
  231   HG11  VAL  32          HG11      VAL  32  63.004  -5.347  -1.225
  232   HG12  VAL  32          HG12      VAL  32  64.139  -5.340   0.129
  233   HG13  VAL  32          HG13      VAL  32  64.036  -3.944  -0.946
  234   HG21  VAL  32          HG21      VAL  32  63.685  -2.590   1.208
  235   HG22  VAL  32          HG22      VAL  32  63.721  -4.096   2.122
  236   HG23  VAL  32          HG23      VAL  32  62.339  -3.009   2.270
  237    H    ALA  33           HN       ALA  33  61.652  -2.312  -2.743
  238    HA   ALA  33           HA       ALA  33  59.901  -4.469  -3.796
  239    HB1  ALA  33           HB1      ALA  33  59.464  -2.848  -5.669
  240    HB2  ALA  33           HB2      ALA  33  60.351  -1.633  -4.747
  241    HB3  ALA  33           HB3      ALA  33  58.865  -2.322  -4.096
  242    H    ALA  34           HN       ALA  34  62.820  -2.555  -4.386
  243    HA   ALA  34           HA       ALA  34  64.153  -4.723  -5.644
  244    HB1  ALA  34           HB1      ALA  34  63.439  -2.456  -7.512
  245    HB2  ALA  34           HB2      ALA  34  62.564  -3.987  -7.476
  246    HB3  ALA  34           HB3      ALA  34  64.273  -3.959  -7.908
  247    H    HIS  35           HN       HIS  35  66.101  -4.379  -4.744
  248    HA   HIS  35           HA       HIS  35  67.334  -1.699  -5.023
  249    HB2  HIS  35           HB2      HIS  35  67.289  -3.411  -2.524
  250    HB3  HIS  35           HB1      HIS  35  68.270  -1.961  -2.734
  251    HD1  HIS  35           HD1      HIS  35  64.582  -2.813  -3.308
  252    HD2  HIS  35           HD2      HIS  35  66.945   0.197  -1.653
  253    HE1  HIS  35           HE1      HIS  35  62.991  -1.030  -2.470
  254    H    THR  36           HN       THR  36  69.315  -1.787  -5.880
  255    HA   THR  36           HA       THR  36  70.829  -4.347  -5.720
  256    HB   THR  36           HB       THR  36  70.615  -2.463  -8.084
  257    HG1  THR  36           HG1      THR  36  69.137  -3.792  -8.716
  258   HG21  THR  36          HG21      THR  36  72.825  -3.307  -8.126
  259   HG22  THR  36          HG22      THR  36  71.922  -4.413  -9.162
  260   HG23  THR  36          HG23      THR  36  72.326  -4.883  -7.511
  261    H    TRP  37           HN       TRP  37  72.842  -4.165  -4.952
  262    HA   TRP  37           HA       TRP  37  74.088  -1.466  -4.843
  263    HB2  TRP  37           HB2      TRP  37  73.144  -2.463  -2.650
  264    HB3  TRP  37           HB1      TRP  37  74.490  -3.585  -2.735
  265    HD1  TRP  37           HD1      TRP  37  76.357  -1.057  -4.085
  266    HE1  TRP  37           HE1      TRP  37  77.391   0.571  -2.395
  267    HE3  TRP  37           HE3      TRP  37  73.419  -2.018  -0.021
  268    HZ2  TRP  37           HZ2      TRP  37  77.032   1.376   0.321
  269    HZ3  TRP  37           HZ3      TRP  37  73.787  -0.801   2.103
  270    HH2  TRP  37           HH2      TRP  37  75.584   0.900   2.283
  271    H    LEU  38           HN       LEU  38  75.632  -1.541  -6.322
  272    HA   LEU  38           HA       LEU  38  77.625  -3.736  -6.181
  273    HB2  LEU  38           HB2      LEU  38  76.578  -2.394  -8.687
  274    HB3  LEU  38           HB1      LEU  38  77.909  -3.549  -8.631
  275    HG   LEU  38           HG       LEU  38  75.076  -4.127  -7.704
  276   HD11  LEU  38          HD11      LEU  38  76.508  -5.107 -10.192
  277   HD12  LEU  38          HD12      LEU  38  75.354  -3.776 -10.188
  278   HD13  LEU  38          HD13      LEU  38  74.826  -5.400  -9.751
  279   HD21  LEU  38          HD21      LEU  38  76.411  -5.654  -6.523
  280   HD22  LEU  38          HD22      LEU  38  77.645  -5.713  -7.781
  281   HD23  LEU  38          HD23      LEU  38  76.113  -6.555  -8.006
  282    H    LEU  39           HN       LEU  39  79.389  -2.895  -5.402
  283    HA   LEU  39           HA       LEU  39  80.130  -0.107  -5.942
  284    HB2  LEU  39           HB2      LEU  39  82.150  -1.164  -4.346
  285    HB3  LEU  39           HB1      LEU  39  80.736  -0.350  -3.726
  286    HG   LEU  39           HG       LEU  39  79.565  -2.576  -3.655
  287   HD11  LEU  39          HD11      LEU  39  82.387  -3.555  -4.194
  288   HD12  LEU  39          HD12      LEU  39  80.996  -3.776  -5.255
  289   HD13  LEU  39          HD13      LEU  39  81.050  -4.580  -3.690
  290   HD21  LEU  39          HD21      LEU  39  80.319  -1.765  -1.578
  291   HD22  LEU  39          HD22      LEU  39  82.019  -1.980  -2.006
  292   HD23  LEU  39          HD23      LEU  39  81.008  -3.383  -1.669
  293    H    ASP  40           HN       ASP  40  82.723  -2.312  -5.480
  294    HA   ASP  40           HA       ASP  40  83.720  -1.883  -8.094
  295    HB2  ASP  40           HB2      ASP  40  85.132  -2.593  -6.109
  296    HB3  ASP  40           HB1      ASP  40  84.377  -4.182  -6.208
  297    H    ASP  41           HN       ASP  41  83.930  -3.811  -9.600
  298    HA   ASP  41           HA       ASP  41  81.376  -4.701 -10.336
  299    HB2  ASP  41           HB2      ASP  41  84.134  -5.565 -11.205
  300    HB3  ASP  41           HB1      ASP  41  82.662  -6.206 -11.933
  301    H    GLU  42           HN       GLU  42  82.000  -5.578  -7.586
  302    HA   GLU  42           HA       GLU  42  81.631  -8.495  -7.993
  303    HB2  GLU  42           HB2      GLU  42  83.366  -7.068  -5.983
  304    HB3  GLU  42           HB1      GLU  42  82.715  -8.668  -5.623
  305    HG2  GLU  42           HG2      GLU  42  84.936  -8.889  -6.627
  306    HG3  GLU  42           HG1      GLU  42  83.720  -9.519  -7.737
  307    HA   PRO  43           HA       PRO  43  77.825  -7.630  -5.850
  308    HB2  PRO  43           HB2      PRO  43  77.754 -10.222  -4.531
  309    HB3  PRO  43           HB1      PRO  43  76.763  -9.655  -5.883
  310    HG2  PRO  43           HG2      PRO  43  78.928 -11.526  -5.953
  311    HG3  PRO  43           HG1      PRO  43  77.938 -10.952  -7.300
  312    HD2  PRO  43           HD2      PRO  43  80.691 -10.317  -6.771
  313    HD3  PRO  43           HD1      PRO  43  79.667  -9.690  -8.077
  314    H    VAL  44           HN       VAL  44  77.565  -6.573  -3.930
  315    HA   VAL  44           HA       VAL  44  79.766  -6.725  -2.040
  316    HB   VAL  44           HB       VAL  44  78.944  -4.575  -2.759
  317   HG11  VAL  44          HG11      VAL  44  76.458  -5.573  -2.824
  318   HG12  VAL  44          HG12      VAL  44  76.765  -3.849  -2.619
  319   HG13  VAL  44          HG13      VAL  44  76.403  -4.845  -1.221
  320   HG21  VAL  44          HG21      VAL  44  78.900  -3.542  -0.615
  321   HG22  VAL  44          HG22      VAL  44  79.865  -5.004  -0.427
  322   HG23  VAL  44          HG23      VAL  44  78.196  -4.969   0.137
  323    H    ARG  45           HN       ARG  45  79.427  -8.756  -1.227
  324    HA   ARG  45           HA       ARG  45  77.729  -8.782   1.123
  325    HB2  ARG  45           HB2      ARG  45  76.317  -9.898  -0.582
  326    HB3  ARG  45           HB1      ARG  45  77.626 -11.037  -0.903
  327    HG2  ARG  45           HG2      ARG  45  77.519 -11.919   1.327
  328    HG3  ARG  45           HG1      ARG  45  76.433 -10.631   1.846
  329    HD2  ARG  45           HD2      ARG  45  74.684 -11.436   0.419
  330    HD3  ARG  45           HD1      ARG  45  75.751 -12.630  -0.316
  331    HE   ARG  45           HE       ARG  45  75.709 -13.110   2.448
  332   HH11  ARG  45          HH21      ARG  45  74.724 -14.694  -0.179
  333   HH12  ARG  45          HH22      ARG  45  73.197 -15.255   0.419
  334   HH21  ARG  45          HH11      ARG  45  73.217 -13.169   3.190
  335   HH22  ARG  45          HH12      ARG  45  72.346 -14.388   2.324
  336    H    THR  46           HN       THR  46  79.318 -11.451  -0.499
  337    HA   THR  46           HA       THR  46  81.147 -12.719   0.073
  338    HB   THR  46           HB       THR  46  83.141 -11.521   0.183
  339    HG1  THR  46           HG1      THR  46  83.362  -9.622   1.338
  340   HG21  THR  46          HG21      THR  46  81.389  -9.194  -0.571
  341   HG22  THR  46          HG22      THR  46  81.460 -10.627  -1.596
  342   HG23  THR  46          HG23      THR  46  82.924  -9.699  -1.274
  343    H    SER  47           HN       SER  47  82.746 -11.306   2.588
  344    HA   SER  47           HA       SER  47  81.081 -12.584   4.684
  345    HB2  SER  47           HB2      SER  47  84.049 -12.965   4.262
  346    HB3  SER  47           HB1      SER  47  83.097 -13.646   5.580
  347    HG   SER  47           HG       SER  47  82.026 -14.117   3.110
  348    H    GLU  48           HN       GLU  48  83.431 -12.177   6.563
  349    HA   GLU  48           HA       GLU  48  82.616  -9.765   7.696
  350    HB2  GLU  48           HB2      GLU  48  85.222 -11.263   8.005
  351    HB3  GLU  48           HB1      GLU  48  84.763  -9.882   9.002
  352    HG2  GLU  48           HG2      GLU  48  83.103 -12.403   8.723
  353    HG3  GLU  48           HG1      GLU  48  84.216 -12.092  10.052
  354    H    ASN  49           HN       ASN  49  85.413 -10.350   5.573
  355    HA   ASN  49           HA       ASN  49  86.542  -7.781   5.745
  356    HB2  ASN  49           HB2      ASN  49  87.726  -9.678   4.768
  357    HB3  ASN  49           HB1      ASN  49  86.577  -9.726   3.432
  358   HD21  ASN  49          HD21      ASN  49  88.951  -7.509   4.991
  359   HD22  ASN  49          HD22      ASN  49  89.350  -6.697   3.555
  360    H    ALA  50           HN       ALA  50  83.517  -8.444   4.749
  361    HA   ALA  50           HA       ALA  50  82.849  -5.930   3.798
  362    HB1  ALA  50           HB1      ALA  50  84.091  -6.131   1.807
  363    HB2  ALA  50           HB2      ALA  50  82.481  -6.647   1.311
  364    HB3  ALA  50           HB3      ALA  50  83.728  -7.850   1.649
  365    H    GLU  51           HN       GLU  51  80.624  -5.846   3.928
  366    HA   GLU  51           HA       GLU  51  78.849  -7.810   2.985
  367    HB2  GLU  51           HB2      GLU  51  79.772  -9.228   4.799
  368    HB3  GLU  51           HB1      GLU  51  79.340  -7.990   5.974
  369    HG2  GLU  51           HG2      GLU  51  76.978  -8.249   5.437
  370    HG3  GLU  51           HG1      GLU  51  77.363  -9.390   4.152
  371    H    VAL  52           HN       VAL  52  76.620  -7.037   3.126
  372    HA   VAL  52           HA       VAL  52  76.443  -4.345   4.237
  373    HB   VAL  52           HB       VAL  52  74.308  -5.883   2.755
  374   HG11  VAL  52          HG11      VAL  52  73.623  -3.814   3.879
  375   HG12  VAL  52          HG12      VAL  52  73.601  -3.597   2.128
  376   HG13  VAL  52          HG13      VAL  52  74.927  -2.933   3.084
  377   HG21  VAL  52          HG21      VAL  52  76.355  -4.052   1.475
  378   HG22  VAL  52          HG22      VAL  52  75.160  -5.082   0.687
  379   HG23  VAL  52          HG23      VAL  52  76.534  -5.807   1.506
  380    H    VAL  53           HN       VAL  53  75.080  -3.731   5.781
  381    HA   VAL  53           HA       VAL  53  73.225  -5.616   7.039
  382    HB   VAL  53           HB       VAL  53  74.087  -4.764   9.320
  383   HG11  VAL  53          HG11      VAL  53  74.382  -7.071   8.747
  384   HG12  VAL  53          HG12      VAL  53  75.958  -6.496   9.298
  385   HG13  VAL  53          HG13      VAL  53  75.641  -6.685   7.573
  386   HG21  VAL  53          HG21      VAL  53  75.548  -2.997   8.354
  387   HG22  VAL  53          HG22      VAL  53  76.542  -4.250   7.612
  388   HG23  VAL  53          HG23      VAL  53  76.452  -4.119   9.370
  389    H    PHE  54           HN       PHE  54  71.474  -4.506   8.061
  390    HA   PHE  54           HA       PHE  54  71.549  -1.616   8.236
  391    HB2  PHE  54           HB2      PHE  54  69.798  -1.171   6.615
  392    HB3  PHE  54           HB1      PHE  54  71.142  -1.985   5.824
  393    HD1  PHE  54           HD1      PHE  54  67.726  -2.471   7.198
  394    HD2  PHE  54           HD2      PHE  54  70.891  -4.140   4.819
  395    HE1  PHE  54           HE1      PHE  54  66.174  -4.216   6.357
  396    HE2  PHE  54           HE2      PHE  54  69.344  -5.891   3.986
  397    HZ   PHE  54           HZ       PHE  54  66.981  -5.923   4.744
  398    H    PHE  55           HN       PHE  55  69.680  -0.696   9.234
  399    HA   PHE  55           HA       PHE  55  67.871  -2.663  10.528
  400    HB2  PHE  55           HB2      PHE  55  68.958  -0.238  11.956
  401    HB3  PHE  55           HB1      PHE  55  68.174  -1.665  12.640
  402    HD1  PHE  55           HD1      PHE  55  71.265  -0.350  11.114
  403    HD2  PHE  55           HD2      PHE  55  69.397  -3.750  12.963
  404    HE1  PHE  55           HE1      PHE  55  73.479  -1.437  11.350
  405    HE2  PHE  55           HE2      PHE  55  71.616  -4.837  13.196
  406    HZ   PHE  55           HZ       PHE  55  73.657  -3.678  12.387
  407    H    GLU  56           HN       GLU  56  66.246  -1.104  11.911
  408    HA   GLU  56           HA       GLU  56  64.371   0.188  11.753
  409    HB2  GLU  56           HB2      GLU  56  66.196   1.865  10.017
  410    HB3  GLU  56           HB1      GLU  56  64.601   2.370  10.568
  411    HG2  GLU  56           HG2      GLU  56  66.817   1.507  12.437
  412    HG3  GLU  56           HG1      GLU  56  66.491   3.187  12.015
  413    H    ASN  57           HN       ASN  57  64.879  -1.980   9.869
  414    HA   ASN  57           HA       ASN  57  63.767  -3.029   8.165
  415    HB2  ASN  57           HB2      ASN  57  61.939  -0.622   8.125
  416    HB3  ASN  57           HB1      ASN  57  61.616  -2.214   7.452
  417   HD21  ASN  57          HD21      ASN  57  60.981  -0.329  10.140
  418   HD22  ASN  57          HD22      ASN  57  60.686  -1.567  11.266
  419    H    GLY  58           HN       GLY  58  66.041  -1.319   7.557
  420    HA2  GLY  58           HA2      GLY  58  67.123  -0.982   5.516
  421    HA3  GLY  58           HA1      GLY  58  65.582  -1.116   4.690
  422    H    LEU  59           HN       LEU  59  65.530   1.084   7.326
  423    HA   LEU  59           HA       LEU  59  65.309   3.314   5.456
  424    HB2  LEU  59           HB2      LEU  59  65.021   3.176   8.460
  425    HB3  LEU  59           HB1      LEU  59  64.780   4.635   7.507
  426    HG   LEU  59           HG       LEU  59  63.237   2.052   7.105
  427   HD11  LEU  59          HD11      LEU  59  62.549   4.595   8.596
  428   HD12  LEU  59          HD12      LEU  59  62.612   2.958   9.243
  429   HD13  LEU  59          HD13      LEU  59  61.342   3.408   8.104
  430   HD21  LEU  59          HD21      LEU  59  63.204   4.766   5.790
  431   HD22  LEU  59          HD22      LEU  59  61.692   3.871   5.930
  432   HD23  LEU  59          HD23      LEU  59  63.048   3.168   5.059
  433    H    ARG  60           HN       ARG  60  67.711   1.822   7.358
  434    HA   ARG  60           HA       ARG  60  69.566   4.070   6.830
  435    HB2  ARG  60           HB2      ARG  60  69.271   2.521   9.414
  436    HB3  ARG  60           HB1      ARG  60  70.669   3.525   9.029
  437    HG2  ARG  60           HG2      ARG  60  69.224   5.489   8.786
  438    HG3  ARG  60           HG1      ARG  60  67.798   4.502   9.108
  439    HD2  ARG  60           HD2      ARG  60  68.735   3.935  11.343
  440    HD3  ARG  60           HD1      ARG  60  70.099   5.005  11.021
  441    HE   ARG  60           HE       ARG  60  67.368   5.809  11.654
  442   HH11  ARG  60          HH21      ARG  60  70.579   6.706  11.829
  443   HH12  ARG  60          HH22      ARG  60  70.330   8.387  11.494
  444   HH21  ARG  60          HH11      ARG  60  67.003   7.992  10.602
  445   HH22  ARG  60          HH12      ARG  60  68.306   9.113  10.800
  446    H    HIS  61           HN       HIS  61  70.395   2.951   5.062
  447    HA   HIS  61           HA       HIS  61  71.365   0.241   5.313
  448    HB2  HIS  61           HB2      HIS  61  71.499   2.313   3.129
  449    HB3  HIS  61           HB1      HIS  61  72.304   0.755   2.990
  450    HD1  HIS  61           HD1      HIS  61  68.970   2.368   2.798
  451    HD2  HIS  61           HD2      HIS  61  70.479  -1.515   2.979
  452    HE1  HIS  61           HE1      HIS  61  67.071   0.828   2.127
  453    H    LEU  62           HN       LEU  62  73.195  -0.241   6.364
  454    HA   LEU  62           HA       LEU  62  75.497   1.631   6.207
  455    HB2  LEU  62           HB2      LEU  62  74.331   1.397   8.431
  456    HB3  LEU  62           HB1      LEU  62  74.806  -0.292   8.447
  457    HG   LEU  62           HG       LEU  62  76.891   1.867   8.058
  458   HD11  LEU  62          HD11      LEU  62  77.217   2.048  10.447
  459   HD12  LEU  62          HD12      LEU  62  75.992   0.820  10.759
  460   HD13  LEU  62          HD13      LEU  62  75.520   2.396  10.120
  461   HD21  LEU  62          HD21      LEU  62  78.198   0.058   9.429
  462   HD22  LEU  62          HD22      LEU  62  77.849  -0.270   7.740
  463   HD23  LEU  62          HD23      LEU  62  76.866  -1.011   9.000
  464    H    LEU  63           HN       LEU  63  77.241   0.817   5.194
  465    HA   LEU  63           HA       LEU  63  77.555  -2.134   4.936
  466    HB2  LEU  63           HB2      LEU  63  77.226  -1.224   2.760
  467    HB3  LEU  63           HB1      LEU  63  78.269   0.153   3.092
  468    HG   LEU  63           HG       LEU  63  80.245  -1.306   3.133
  469   HD11  LEU  63          HD11      LEU  63  79.459  -3.354   4.034
  470   HD12  LEU  63          HD12      LEU  63  79.833  -3.741   2.356
  471   HD13  LEU  63          HD13      LEU  63  78.160  -3.476   2.849
  472   HD21  LEU  63          HD21      LEU  63  78.417  -1.705   0.751
  473   HD22  LEU  63          HD22      LEU  63  80.131  -2.125   0.757
  474   HD23  LEU  63          HD23      LEU  63  79.635  -0.445   0.963
  475    H    LEU  64           HN       LEU  64  79.260  -2.977   6.130
  476    HA   LEU  64           HA       LEU  64  81.457  -1.134   6.846
  477    HB2  LEU  64           HB2      LEU  64  80.102  -2.062   8.707
  478    HB3  LEU  64           HB1      LEU  64  80.530  -3.685   8.186
  479    HG   LEU  64           HG       LEU  64  82.951  -3.101   8.525
  480   HD11  LEU  64          HD11      LEU  64  83.118  -0.763   8.401
  481   HD12  LEU  64          HD12      LEU  64  83.215  -1.045  10.136
  482   HD13  LEU  64          HD13      LEU  64  81.699  -0.506   9.415
  483   HD21  LEU  64          HD21      LEU  64  81.024  -2.866  10.849
  484   HD22  LEU  64          HD22      LEU  64  82.765  -3.061  11.054
  485   HD23  LEU  64          HD23      LEU  64  81.825  -4.322  10.260
  486    H    LEU  65           HN       LEU  65  83.425  -1.516   6.102
  487    HA   LEU  65           HA       LEU  65  84.078  -4.170   4.934
  488    HB2  LEU  65           HB2      LEU  65  84.858  -1.373   4.147
  489    HB3  LEU  65           HB1      LEU  65  85.958  -2.700   3.802
  490    HG   LEU  65           HG       LEU  65  84.101  -3.882   2.617
  491   HD11  LEU  65          HD11      LEU  65  82.622  -1.379   3.418
  492   HD12  LEU  65          HD12      LEU  65  82.094  -3.059   3.510
  493   HD13  LEU  65          HD13      LEU  65  82.163  -2.244   1.950
  494   HD21  LEU  65          HD21      LEU  65  84.850  -1.094   1.692
  495   HD22  LEU  65          HD22      LEU  65  84.018  -2.263   0.665
  496   HD23  LEU  65          HD23      LEU  65  85.639  -2.612   1.263
  497    H    LYS  66           HN       LYS  66  86.784  -4.211   4.975
  498    HA   LYS  66           HA       LYS  66  87.855  -3.160   7.423
  499    HB2  LYS  66           HB2      LYS  66  87.290  -6.123   7.220
  500    HB3  LYS  66           HB1      LYS  66  88.472  -5.445   8.336
  501    HG2  LYS  66           HG2      LYS  66  86.582  -3.952   9.208
  502    HG3  LYS  66           HG1      LYS  66  85.483  -4.983   8.292
  503    HD2  LYS  66           HD2      LYS  66  87.446  -6.018  10.360
  504    HD3  LYS  66           HD1      LYS  66  85.747  -5.680  10.693
  505    HE2  LYS  66           HE2      LYS  66  85.204  -7.269   8.763
  506    HE3  LYS  66           HE1      LYS  66  86.896  -7.754   8.822
  507    HZ1  LYS  66           HZ1      LYS  66  86.060  -7.815  11.427
  508    HZ2  LYS  66           HZ2      LYS  66  86.301  -9.158  10.412
  509    HZ3  LYS  66           HZ3      LYS  66  84.755  -8.468  10.563
  510    H    ASN  67           HN       ASN  67  90.088  -4.293   7.804
  511    HA   ASN  67           HA       ASN  67  92.256  -4.163   6.889
  512    HB2  ASN  67           HB2      ASN  67  91.567  -6.574   7.060
  513    HB3  ASN  67           HB1      ASN  67  91.155  -6.510   5.347
  514   HD21  ASN  67          HD21      ASN  67  92.869  -7.820   4.518
  515   HD22  ASN  67          HD22      ASN  67  94.507  -7.405   4.675
  516    H    LEU  68           HN       LEU  68  90.839  -2.254   5.552
  517    HA   LEU  68           HA       LEU  68  90.572  -2.578   2.806
  518    HB2  LEU  68           HB2      LEU  68  91.180  -0.087   4.376
  519    HB3  LEU  68           HB1      LEU  68  90.704  -0.100   2.681
  520    HG   LEU  68           HG       LEU  68  89.056  -1.327   4.899
  521   HD11  LEU  68          HD11      LEU  68  89.381   1.244   4.935
  522   HD12  LEU  68          HD12      LEU  68  87.739   0.619   4.951
  523   HD13  LEU  68          HD13      LEU  68  88.420   1.244   3.456
  524   HD21  LEU  68          HD21      LEU  68  88.289  -2.370   2.959
  525   HD22  LEU  68          HD22      LEU  68  88.710  -1.003   1.926
  526   HD23  LEU  68          HD23      LEU  68  87.280  -0.928   2.951
  527    H    ARG  69           HN       ARG  69  92.001  -3.148   1.365
  528    HA   ARG  69           HA       ARG  69  94.824  -2.403   1.633
  529    HB2  ARG  69           HB2      ARG  69  94.684  -3.683  -0.788
  530    HB3  ARG  69           HB1      ARG  69  94.894  -4.534   0.737
  531    HG2  ARG  69           HG2      ARG  69  92.107  -3.897  -0.233
  532    HG3  ARG  69           HG1      ARG  69  92.979  -5.250  -0.937
  533    HD2  ARG  69           HD2      ARG  69  93.144  -5.265   1.998
  534    HD3  ARG  69           HD1      ARG  69  91.487  -5.354   1.415
  535    HE   ARG  69           HE       ARG  69  92.536  -7.213  -0.119
  536   HH11  ARG  69          HH11      ARG  69  91.338  -8.038   2.543
  537   HH12  ARG  69          HH12      ARG  69  92.616  -8.987   3.227
  538   HH21  ARG  69          HH21      ARG  69  95.032  -7.792   1.048
  539   HH22  ARG  69          HH22      ARG  69  94.708  -8.849   2.381
  540    HA   PRO  70           HA       PRO  70  94.687   1.132  -0.996
  541    HB2  PRO  70           HB2      PRO  70  96.592   0.252  -2.989
  542    HB3  PRO  70           HB1      PRO  70  96.885   1.336  -1.622
  543    HG2  PRO  70           HG2      PRO  70  97.574  -1.491  -1.917
  544    HG3  PRO  70           HG1      PRO  70  98.181  -0.308  -0.754
  545    HD2  PRO  70           HD2      PRO  70  96.467  -2.401  -0.120
  546    HD3  PRO  70           HD1      PRO  70  96.649  -0.927   0.851
  547    H    GLN  71           HN       GLN  71  94.844  -1.992  -2.544
  548    HA   GLN  71           HA       GLN  71  93.853  -1.517  -5.059
  549    HB2  GLN  71           HB2      GLN  71  94.627  -3.730  -4.196
  550    HB3  GLN  71           HB1      GLN  71  93.102  -3.887  -3.331
  551    HG2  GLN  71           HG2      GLN  71  92.911  -5.086  -5.434
  552    HG3  GLN  71           HG1      GLN  71  91.897  -3.648  -5.531
  553   HE21  GLN  71          HE21      GLN  71  92.062  -3.304  -7.813
  554   HE22  GLN  71          HE22      GLN  71  93.530  -2.943  -8.586
  555    H    ASP  72           HN       ASP  72  91.901  -2.019  -2.076
  556    HA   ASP  72           HA       ASP  72  89.427  -2.223  -3.069
  557    HB2  ASP  72           HB2      ASP  72  88.584  -1.127  -1.075
  558    HB3  ASP  72           HB1      ASP  72  89.972  -2.133  -0.665
  559    H    SER  73           HN       SER  73  91.292   0.861  -3.054
  560    HA   SER  73           HA       SER  73  89.454   2.757  -3.504
  561    HB2  SER  73           HB2      SER  73  91.064   3.961  -4.694
  562    HB3  SER  73           HB1      SER  73  92.053   2.802  -3.811
  563    HG   SER  73           HG       SER  73  92.676   2.081  -5.670
  564    H    CYS  74           HN       CYS  74  87.535   2.179  -4.362
  565    HA   CYS  74           HA       CYS  74  87.455   1.708  -7.276
  566    HB2  CYS  74           HB2      CYS  74  85.914  -0.126  -7.055
  567    HB3  CYS  74           HB1      CYS  74  87.321  -0.490  -6.056
  568    HG   CYS  74           HG       CYS  74  85.771   0.601  -4.034
  569    H    ARG  75           HN       ARG  75  84.720   1.264  -7.452
  570    HA   ARG  75           HA       ARG  75  83.659   3.947  -6.786
  571    HB2  ARG  75           HB2      ARG  75  83.737   3.181  -9.186
  572    HB3  ARG  75           HB1      ARG  75  82.572   1.930  -8.757
  573    HG2  ARG  75           HG2      ARG  75  81.038   3.729  -7.906
  574    HG3  ARG  75           HG1      ARG  75  82.182   4.926  -8.517
  575    HD2  ARG  75           HD2      ARG  75  80.496   4.624 -10.193
  576    HD3  ARG  75           HD1      ARG  75  81.968   3.845 -10.776
  577    HE   ARG  75           HE       ARG  75  80.380   1.953  -9.386
  578   HH11  ARG  75          HH11      ARG  75  80.712   3.681 -12.363
  579   HH12  ARG  75          HH12      ARG  75  79.715   2.592 -13.268
  580   HH21  ARG  75          HH21      ARG  75  78.976   0.584 -10.541
  581   HH22  ARG  75          HH22      ARG  75  78.731   0.841 -12.235
  582    H    VAL  76           HN       VAL  76  81.919   4.193  -5.484
  583    HA   VAL  76           HA       VAL  76  80.537   1.754  -4.523
  584    HB   VAL  76           HB       VAL  76  80.605   4.474  -3.195
  585   HG11  VAL  76          HG11      VAL  76  79.762   3.159  -1.259
  586   HG12  VAL  76          HG12      VAL  76  79.723   1.720  -2.279
  587   HG13  VAL  76          HG13      VAL  76  78.662   3.083  -2.637
  588   HG21  VAL  76          HG21      VAL  76  82.863   3.476  -3.230
  589   HG22  VAL  76          HG22      VAL  76  82.209   1.964  -2.597
  590   HG23  VAL  76          HG23      VAL  76  82.182   3.422  -1.604
  591    H    THR  77           HN       THR  77  78.732   1.448  -5.690
  592    HA   THR  77           HA       THR  77  77.020   3.808  -6.276
  593    HB   THR  77           HB       THR  77  77.379   1.315  -7.954
  594    HG1  THR  77           HG1      THR  77  78.935   3.360  -7.725
  595   HG21  THR  77          HG21      THR  77  76.199   2.978  -9.620
  596   HG22  THR  77          HG22      THR  77  75.609   3.734  -8.143
  597   HG23  THR  77          HG23      THR  77  75.230   2.045  -8.483
  598    H    PHE  78           HN       PHE  78  75.051   3.748  -5.475
  599    HA   PHE  78           HA       PHE  78  73.806   1.163  -4.711
  600    HB2  PHE  78           HB2      PHE  78  74.581   2.406  -2.719
  601    HB3  PHE  78           HB1      PHE  78  73.661   3.814  -3.243
  602    HD1  PHE  78           HD2      PHE  78  73.107   0.131  -2.715
  603    HD2  PHE  78           HD1      PHE  78  71.557   4.112  -2.263
  604    HE1  PHE  78           HE2      PHE  78  71.112  -0.780  -1.563
  605    HE2  PHE  78           HE1      PHE  78  69.560   3.200  -1.111
  606    HZ   PHE  78           HZ       PHE  78  69.338   0.754  -0.758
  607    H    LEU  79           HN       LEU  79  72.062   0.848  -5.983
  608    HA   LEU  79           HA       LEU  79  70.559   3.212  -6.957
  609    HB2  LEU  79           HB2      LEU  79  71.585   2.030  -8.784
  610    HB3  LEU  79           HB1      LEU  79  70.965   0.488  -8.200
  611    HG   LEU  79           HG       LEU  79  68.686   1.132  -8.696
  612   HD11  LEU  79          HD11      LEU  79  68.535   3.404  -8.102
  613   HD12  LEU  79          HD12      LEU  79  68.369   3.433  -9.857
  614   HD13  LEU  79          HD13      LEU  79  69.910   3.856  -9.110
  615   HD21  LEU  79          HD21      LEU  79  70.547   1.961 -10.936
  616   HD22  LEU  79          HD22      LEU  79  68.849   1.527 -11.131
  617   HD23  LEU  79          HD23      LEU  79  70.012   0.317 -10.591
  618    H    ALA  80           HN       ALA  80  69.107   3.376  -5.269
  619    HA   ALA  80           HA       ALA  80  67.241   1.108  -4.859
  620    HB1  ALA  80           HB1      ALA  80  68.214   1.796  -2.788
  621    HB2  ALA  80           HB2      ALA  80  66.571   2.436  -2.809
  622    HB3  ALA  80           HB3      ALA  80  67.938   3.499  -3.145
  623    H    GLY  81           HN       GLY  81  65.722   1.374  -6.453
  624    HA2  GLY  81           HA2      GLY  81  63.960   2.304  -7.616
  625    HA3  GLY  81           HA1      GLY  81  63.646   3.205  -6.138
  626    H    ASP  82           HN       ASP  82  62.923   4.852  -7.802
  627    HA   ASP  82           HA       ASP  82  64.504   6.120  -9.636
  628    HB2  ASP  82           HB2      ASP  82  62.072   6.493  -9.233
  629    HB3  ASP  82           HB1      ASP  82  62.498   7.485  -7.836
  630    H    MET  83           HN       MET  83  65.768   5.763  -6.758
  631    HA   MET  83           HA       MET  83  67.002   8.461  -6.718
  632    HB2  MET  83           HB2      MET  83  66.839   6.765  -4.238
  633    HB3  MET  83           HB1      MET  83  67.077   8.502  -4.395
  634    HG2  MET  83           HG2      MET  83  64.846   8.645  -3.891
  635    HG3  MET  83           HG1      MET  83  64.593   8.190  -5.574
  636    HE1  MET  83           HE1      MET  83  64.065   7.325  -1.906
  637    HE2  MET  83           HE2      MET  83  65.674   6.678  -2.206
  638    HE3  MET  83           HE3      MET  83  64.352   5.581  -1.819
  639    H    VAL  84           HN       VAL  84  69.127   8.485  -6.982
  640    HA   VAL  84           HA       VAL  84  70.649   5.972  -6.566
  641    HB   VAL  84           HB       VAL  84  70.324   6.205  -8.936
  642   HG11  VAL  84          HG11      VAL  84  69.730   8.636  -8.875
  643   HG12  VAL  84          HG12      VAL  84  70.863   8.223 -10.160
  644   HG13  VAL  84          HG13      VAL  84  71.445   9.008  -8.693
  645   HG21  VAL  84          HG21      VAL  84  73.077   7.305  -8.310
  646   HG22  VAL  84          HG22      VAL  84  72.607   6.314  -9.688
  647   HG23  VAL  84          HG23      VAL  84  72.622   5.619  -8.068
  648    H    THR  85           HN       THR  85  72.319   6.171  -5.302
  649    HA   THR  85           HA       THR  85  73.514   8.843  -4.775
  650    HB   THR  85           HB       THR  85  73.545   8.410  -2.484
  651    HG1  THR  85           HG1      THR  85  73.354   6.069  -1.845
  652   HG21  THR  85          HG21      THR  85  71.323   6.518  -3.302
  653   HG22  THR  85          HG22      THR  85  71.166   8.274  -3.318
  654   HG23  THR  85          HG23      THR  85  71.451   7.429  -1.798
  655    H    SER  86           HN       SER  86  75.751   8.939  -5.009
  656    HA   SER  86           HA       SER  86  77.285   6.427  -5.065
  657    HB2  SER  86           HB2      SER  86  76.556   6.709  -7.382
  658    HB3  SER  86           HB1      SER  86  77.176   8.358  -7.396
  659    HG   SER  86           HG       SER  86  78.569   5.909  -7.271
  660    H    ALA  87           HN       ALA  87  79.260   6.650  -4.179
  661    HA   ALA  87           HA       ALA  87  80.530   9.319  -4.125
  662    HB1  ALA  87           HB1      ALA  87  79.358   9.102  -2.003
  663    HB2  ALA  87           HB2      ALA  87  81.100   8.983  -1.753
  664    HB3  ALA  87           HB3      ALA  87  80.107   7.528  -1.730
  665    H    PHE  88           HN       PHE  88  82.758   9.318  -3.835
  666    HA   PHE  88           HA       PHE  88  84.122   7.111  -5.011
  667    HB2  PHE  88           HB2      PHE  88  85.112   9.689  -3.780
  668    HB3  PHE  88           HB1      PHE  88  86.120   8.564  -4.691
  669    HD1  PHE  88           HD2      PHE  88  85.602   8.097  -7.104
  670    HD2  PHE  88           HD1      PHE  88  83.582  11.171  -4.885
  671    HE1  PHE  88           HE2      PHE  88  84.816   9.112  -9.224
  672    HE2  PHE  88           HE1      PHE  88  82.796  12.183  -7.010
  673    HZ   PHE  88           HZ       PHE  88  83.411  11.154  -9.176
  674    H    LEU  89           HN       LEU  89  85.913   5.988  -4.192
  675    HA   LEU  89           HA       LEU  89  85.938   5.534  -1.253
  676    HB2  LEU  89           HB2      LEU  89  85.195   3.635  -2.916
  677    HB3  LEU  89           HB1      LEU  89  86.901   3.539  -3.317
  678    HG   LEU  89           HG       LEU  89  86.475   1.886  -1.624
  679   HD11  LEU  89          HD11      LEU  89  88.533   3.410  -1.362
  680   HD12  LEU  89          HD12      LEU  89  88.057   2.439   0.028
  681   HD13  LEU  89          HD13      LEU  89  87.652   4.153  -0.025
  682   HD21  LEU  89          HD21      LEU  89  84.355   3.197  -0.809
  683   HD22  LEU  89          HD22      LEU  89  85.467   3.934   0.343
  684   HD23  LEU  89          HD23      LEU  89  85.238   2.188   0.329
  685    H    THR  90           HN       THR  90  87.840   6.123  -0.300
  686    HA   THR  90           HA       THR  90  90.302   6.171  -1.951
  687    HB   THR  90           HB       THR  90  89.404   8.388  -0.092
  688    HG1  THR  90           HG1      THR  90  88.666   9.301  -1.822
  689   HG21  THR  90          HG21      THR  90  91.864   8.039  -1.830
  690   HG22  THR  90          HG22      THR  90  91.827   8.117  -0.067
  691   HG23  THR  90          HG23      THR  90  91.416   9.542  -1.022
  692    H    VAL  91           HN       VAL  91  91.805   4.966  -1.022
  693    HA   VAL  91           HA       VAL  91  92.148   5.099   1.899
  694    HB   VAL  91           HB       VAL  91  91.754   2.551   0.321
  695   HG11  VAL  91          HG11      VAL  91  93.118   3.035   2.977
  696   HG12  VAL  91          HG12      VAL  91  93.675   2.054   1.622
  697   HG13  VAL  91          HG13      VAL  91  92.340   1.499   2.622
  698   HG21  VAL  91          HG21      VAL  91  90.513   3.624   2.877
  699   HG22  VAL  91          HG22      VAL  91  90.079   2.120   2.066
  700   HG23  VAL  91          HG23      VAL  91  89.751   3.667   1.286
  701    H    ARG  92           HN       ARG  92  94.226   5.299   2.464
  702    HA   ARG  92           HA       ARG  92  96.243   5.418   0.456
  703    HB2  ARG  92           HB2      ARG  92  96.406   5.531   3.472
  704    HB3  ARG  92           HB1      ARG  92  97.737   5.904   2.376
  705    HG2  ARG  92           HG2      ARG  92  96.402   7.709   1.357
  706    HG3  ARG  92           HG1      ARG  92  95.062   7.332   2.442
  707    HD2  ARG  92           HD2      ARG  92  97.828   8.121   3.391
  708    HD3  ARG  92           HD1      ARG  92  96.487   9.250   3.221
  709    HE   ARG  92           HE       ARG  92  95.546   7.167   4.802
  710   HH11  ARG  92          HH11      ARG  92  95.499   9.904   5.875
  711   HH12  ARG  92          HH12      ARG  92  96.659   9.858   7.161
  712   HH21  ARG  92          HH21      ARG  92  98.172   6.941   6.053
  713   HH22  ARG  92          HH22      ARG  92  98.173   8.183   7.262
  714    H    GLY  93           HN       GLY  93  98.297   4.258   0.579
  715    HA2  GLY  93           HA2      GLY  93  98.028   1.477   1.588
  716    HA3  GLY  93           HA1      GLY  93  98.666   1.841  -0.013
  717    H    GLY  94           HN       GLY  94 100.584   0.695   0.669
  718    HA2  GLY  94           HA2      GLY  94 102.548   2.501   1.849
  719    HA3  GLY  94           HA1      GLY  94 102.282   0.989   2.714
  720    H    LEU  95           HN       LEU  95 102.159  -0.956   1.029
  721    HA   LEU  95           HA       LEU  95 104.775  -1.046  -0.210
  722    HB2  LEU  95           HB2      LEU  95 102.534  -3.028   0.186
  723    HB3  LEU  95           HB1      LEU  95 103.903  -3.407  -0.862
  724    HG   LEU  95           HG       LEU  95 105.455  -2.968   1.011
  725   HD11  LEU  95          HD11      LEU  95 102.871  -2.320   2.439
  726   HD12  LEU  95          HD12      LEU  95 104.349  -1.363   2.347
  727   HD13  LEU  95          HD13      LEU  95 104.309  -2.824   3.330
  728   HD21  LEU  95          HD21      LEU  95 103.204  -4.931   1.520
  729   HD22  LEU  95          HD22      LEU  95 104.678  -4.895   2.484
  730   HD23  LEU  95          HD23      LEU  95 104.761  -5.256   0.758
  731    H    GLU  96           HN       GLU  96 105.229  -1.071  -2.389
  732    HA   GLU  96           HA       GLU  96 103.243   0.069  -4.141
  733    HB2  GLU  96           HB2      GLU  96 106.092  -0.844  -4.575
  734    HB3  GLU  96           HB1      GLU  96 105.089  -0.185  -5.867
  735    HG2  GLU  96           HG2      GLU  96 104.802   1.901  -4.638
  736    HG3  GLU  96           HG1      GLU  96 105.689   1.247  -3.261
  737    H    HIS  97           HN       HIS  97 104.299  -3.107  -3.344
  738    HA   HIS  97           HA       HIS  97 102.411  -4.239  -5.271
  739    HB2  HIS  97           HB2      HIS  97 105.313  -5.103  -5.193
  740    HB3  HIS  97           HB1      HIS  97 104.032  -5.862  -6.136
  741    HD1  HIS  97           HD1      HIS  97 102.796  -4.135  -7.898
  742    HD2  HIS  97           HD2      HIS  97 106.595  -3.069  -6.552
  743    HE1  HIS  97           HE1      HIS  97 103.683  -2.421  -9.538
  744    H    HIS  98           HN       HIS  98 102.063  -6.567  -4.881
  745    HA   HIS  98           HA       HIS  98 102.944  -7.612  -2.296
  746    HB2  HIS  98           HB2      HIS  98 100.620  -8.042  -1.552
  747    HB3  HIS  98           HB1      HIS  98 100.955  -6.316  -1.685
  748    HD1  HIS  98           HD1      HIS  98 100.132  -5.180  -4.018
  749    HD2  HIS  98           HD2      HIS  98  98.459  -8.881  -3.081
  750    HE1  HIS  98           HE1      HIS  98  98.066  -5.418  -5.463
  751    H    HIS  99           HN       HIS  99 102.916  -9.839  -2.228
  752    HA   HIS  99           HA       HIS  99 102.026 -11.225  -4.702
  753    HB2  HIS  99           HB2      HIS  99 104.497 -11.207  -4.236
  754    HB3  HIS  99           HB1      HIS  99 104.170 -12.122  -2.766
  755    HD1  HIS  99           HD1      HIS  99 103.981 -14.611  -3.016
  756    HD2  HIS  99           HD2      HIS  99 103.544 -12.652  -6.671
  757    HE1  HIS  99           HE1      HIS  99 103.851 -16.418  -4.787
  758    H    HIS 100           HN       HIS 100 100.769 -10.610  -1.906
  759    HA   HIS 100           HA       HIS 100 100.075 -13.380  -1.127
  760    HB2  HIS 100           HB2      HIS 100 100.837 -11.919   0.691
  761    HB3  HIS 100           HB1      HIS 100  99.590 -10.740   0.281
  762    HD1  HIS 100           HD1      HIS 100  99.864 -14.386   1.354
  763    HD2  HIS 100           HD2      HIS 100  97.158 -11.219   1.524
  764    HE1  HIS 100           HE1      HIS 100  97.910 -15.188   2.751
  765    H    HIS 101           HN       HIS 101  98.394 -14.115  -2.290
  766    HA   HIS 101           HA       HIS 101  96.393 -14.142  -3.454
  767    HB2  HIS 101           HB2      HIS 101  95.689 -12.609  -0.944
  768    HB3  HIS 101           HB1      HIS 101  94.488 -13.194  -2.095
  769    HD1  HIS 101           HD1      HIS 101  96.936 -14.368   0.487
  770    HD2  HIS 101           HD2      HIS 101  94.162 -16.029  -2.143
  771    HE1  HIS 101           HE1      HIS 101  96.664 -16.791   1.170
  772    H    HIS 102           HN       HIS 102  97.072 -12.873  -5.254
  773    HA   HIS 102           HA       HIS 102  96.780 -10.013  -5.240
  774    HB2  HIS 102           HB2      HIS 102  97.305 -10.165  -7.621
  775    HB3  HIS 102           HB1      HIS 102  98.411 -11.184  -6.698
  776    HD1  HIS 102           HD1      HIS 102  97.773 -13.809  -6.631
  777    HD2  HIS 102           HD2      HIS 102  95.816 -11.541  -9.530
  778    HE1  HIS 102           HE1      HIS 102  96.811 -15.454  -8.299
  Start of MODEL    2
    1    H1   THR   1           HT1      THR   1  56.674   0.618  -0.110
    2    H2   THR   1           HT2      THR   1  57.282  -0.921  -0.486
    3    H3   THR   1           HT3      THR   1  55.617  -0.703  -0.224
    4    HA   THR   1           HA       THR   1  57.192   0.444  -2.467
    5    HB   THR   1           HB       THR   1  55.994  -1.132  -3.866
    6    HG1  THR   1           HG1      THR   1  54.068  -1.086  -2.587
    7   HG21  THR   1          HG21      THR   1  58.013  -2.015  -2.802
    8   HG22  THR   1          HG22      THR   1  56.799  -3.288  -2.915
    9   HG23  THR   1          HG23      THR   1  57.083  -2.475  -1.375
   10    H    ALA   2           HN       ALA   2  56.167   2.411  -1.278
   11    HA   ALA   2           HA       ALA   2  53.815   3.170  -2.794
   12    HB1  ALA   2           HB1      ALA   2  52.768   2.091  -0.856
   13    HB2  ALA   2           HB2      ALA   2  52.507   3.833  -0.805
   14    HB3  ALA   2           HB3      ALA   2  53.726   3.094   0.235
   15    H    LYS   3           HN       LYS   3  56.640   3.817  -1.056
   16    HA   LYS   3           HA       LYS   3  56.748   6.521  -1.976
   17    HB2  LYS   3           HB2      LYS   3  55.295   6.607   0.148
   18    HB3  LYS   3           HB1      LYS   3  56.775   6.220   1.030
   19    HG2  LYS   3           HG2      LYS   3  57.882   8.196   0.081
   20    HG3  LYS   3           HG1      LYS   3  56.440   8.571  -0.870
   21    HD2  LYS   3           HD2      LYS   3  55.138   8.806   1.216
   22    HD3  LYS   3           HD1      LYS   3  56.589   8.453   2.151
   23    HE2  LYS   3           HE2      LYS   3  56.597  10.786   2.184
   24    HE3  LYS   3           HE1      LYS   3  57.606  10.470   0.775
   25    HZ1  LYS   3           HZ1      LYS   3  56.154  11.840  -0.217
   26    HZ2  LYS   3           HZ2      LYS   3  54.932  11.579   0.935
   27    HZ3  LYS   3           HZ3      LYS   3  55.177  10.459  -0.319
   28    H    ASN   4           HN       ASN   4  58.831   6.756  -2.533
   29    HA   ASN   4           HA       ASN   4  60.935   5.713  -0.741
   30    HB2  ASN   4           HB2      ASN   4  62.114   5.245  -3.091
   31    HB3  ASN   4           HB1      ASN   4  61.066   4.037  -2.350
   32   HD21  ASN   4          HD21      ASN   4  60.354   7.044  -4.233
   33   HD22  ASN   4          HD22      ASN   4  59.331   6.270  -5.344
   34    H    THR   5           HN       THR   5  61.948   7.603  -0.101
   35    HA   THR   5           HA       THR   5  62.694   9.501  -2.238
   36    HB   THR   5           HB       THR   5  61.321  10.265   0.363
   37    HG1  THR   5           HG1      THR   5  59.862   9.545  -1.140
   38   HG21  THR   5          HG21      THR   5  62.681  11.854  -1.813
   39   HG22  THR   5          HG22      THR   5  62.818  12.030  -0.064
   40   HG23  THR   5          HG23      THR   5  61.350  12.550  -0.890
   41    H    VAL   6           HN       VAL   6  64.820   9.472  -2.175
   42    HA   VAL   6           HA       VAL   6  66.291   8.838   0.201
   43    HB   VAL   6           HB       VAL   6  67.023   8.319  -2.176
   44   HG11  VAL   6          HG11      VAL   6  67.964   9.990  -3.536
   45   HG12  VAL   6          HG12      VAL   6  68.088  11.141  -2.203
   46   HG13  VAL   6          HG13      VAL   6  66.512  10.758  -2.896
   47   HG21  VAL   6          HG21      VAL   6  68.764   9.637  -0.097
   48   HG22  VAL   6          HG22      VAL   6  69.471   9.070  -1.610
   49   HG23  VAL   6          HG23      VAL   6  68.657   7.934  -0.540
   50    H    VAL   7           HN       VAL   7  67.261  10.145   1.625
   51    HA   VAL   7           HA       VAL   7  66.738  13.036   1.427
   52    HB   VAL   7           HB       VAL   7  67.854  11.378   3.706
   53   HG11  VAL   7          HG11      VAL   7  68.588  13.593   4.069
   54   HG12  VAL   7          HG12      VAL   7  67.073  13.515   4.971
   55   HG13  VAL   7          HG13      VAL   7  67.116  14.289   3.387
   56   HG21  VAL   7          HG21      VAL   7  65.491  10.844   3.071
   57   HG22  VAL   7          HG22      VAL   7  65.079  12.543   3.306
   58   HG23  VAL   7          HG23      VAL   7  65.618  11.570   4.676
   59    H    ARG   8           HN       ARG   8  69.325  10.681   1.933
   60    HA   ARG   8           HA       ARG   8  71.193  12.417   0.531
   61    HB2  ARG   8           HB2      ARG   8  71.658  13.033   2.831
   62    HB3  ARG   8           HB1      ARG   8  71.747  11.332   3.303
   63    HG2  ARG   8           HG2      ARG   8  73.709  10.976   1.913
   64    HG3  ARG   8           HG1      ARG   8  73.565  12.585   1.209
   65    HD2  ARG   8           HD2      ARG   8  73.995  12.050   4.163
   66    HD3  ARG   8           HD1      ARG   8  75.305  12.379   3.034
   67    HE   ARG   8           HE       ARG   8  73.375  14.300   4.078
   68   HH11  ARG   8          HH11      ARG   8  76.333  13.755   2.489
   69   HH12  ARG   8          HH12      ARG   8  76.392  15.300   1.710
   70   HH21  ARG   8          HH21      ARG   8  73.203  16.230   2.709
   71   HH22  ARG   8          HH22      ARG   8  74.622  16.700   1.834
   72    H    GLY   9           HN       GLY   9  72.944  11.290  -0.286
   73    HA2  GLY   9           HA2      GLY   9  72.442   8.406  -0.671
   74    HA3  GLY   9           HA1      GLY   9  73.285   9.476  -1.777
   75    H    LEU  10           HN       LEU  10  75.121   8.326  -1.951
   76    HA   LEU  10           HA       LEU  10  76.619   7.411   0.335
   77    HB2  LEU  10           HB2      LEU  10  77.343   7.627  -2.603
   78    HB3  LEU  10           HB1      LEU  10  78.316   6.808  -1.386
   79    HG   LEU  10           HG       LEU  10  75.422   6.068  -1.916
   80   HD11  LEU  10          HD11      LEU  10  77.923   5.263  -3.372
   81   HD12  LEU  10          HD12      LEU  10  76.292   5.515  -3.990
   82   HD13  LEU  10          HD13      LEU  10  76.679   4.041  -3.111
   83   HD21  LEU  10          HD21      LEU  10  76.313   3.852  -0.956
   84   HD22  LEU  10          HD22      LEU  10  76.153   5.183   0.181
   85   HD23  LEU  10          HD23      LEU  10  77.736   4.760  -0.461
   86    H    GLU  11           HN       GLU  11  78.858   8.146   0.773
   87    HA   GLU  11           HA       GLU  11  79.410  10.938  -0.018
   88    HB2  GLU  11           HB2      GLU  11  79.311   9.897   2.823
   89    HB3  GLU  11           HB1      GLU  11  80.045  11.429   2.357
   90    HG2  GLU  11           HG2      GLU  11  77.173  10.696   1.751
   91    HG3  GLU  11           HG1      GLU  11  77.665  11.620   3.165
   92    H    ASN  12           HN       ASN  12  81.590  11.535   0.161
   93    HA   ASN  12           HA       ASN  12  83.464   9.577  -0.587
   94    HB2  ASN  12           HB2      ASN  12  85.149  11.306  -0.368
   95    HB3  ASN  12           HB1      ASN  12  83.687  12.022  -1.044
   96   HD21  ASN  12          HD21      ASN  12  85.349  13.830   0.135
   97   HD22  ASN  12          HD22      ASN  12  84.763  14.313   1.656
   98    H    VAL  13           HN       VAL  13  85.162   8.575   0.493
   99    HA   VAL  13           HA       VAL  13  85.161   8.752   3.457
  100    HB   VAL  13           HB       VAL  13  85.179   6.168   1.874
  101   HG11  VAL  13          HG11      VAL  13  85.441   6.794   4.830
  102   HG12  VAL  13          HG12      VAL  13  86.581   5.908   3.820
  103   HG13  VAL  13          HG13      VAL  13  85.018   5.191   4.226
  104   HG21  VAL  13          HG21      VAL  13  83.135   7.429   3.728
  105   HG22  VAL  13          HG22      VAL  13  83.036   5.787   3.098
  106   HG23  VAL  13          HG23      VAL  13  82.951   7.160   1.995
  107    H    GLU  14           HN       GLU  14  87.118   8.889   4.325
  108    HA   GLU  14           HA       GLU  14  89.493   8.188   2.683
  109    HB2  GLU  14           HB2      GLU  14  89.153  10.642   2.768
  110    HB3  GLU  14           HB1      GLU  14  89.187  10.574   4.529
  111    HG2  GLU  14           HG2      GLU  14  91.475   9.677   4.472
  112    HG3  GLU  14           HG1      GLU  14  91.444   9.678   2.712
  113    H    ALA  15           HN       ALA  15  90.586   6.596   3.639
  114    HA   ALA  15           HA       ALA  15  91.129   6.708   6.508
  115    HB1  ALA  15           HB1      ALA  15  89.152   5.426   6.668
  116    HB2  ALA  15           HB2      ALA  15  90.444   4.225   6.672
  117    HB3  ALA  15           HB3      ALA  15  89.518   4.521   5.200
  118    H    LEU  16           HN       LEU  16  92.928   5.469   7.116
  119    HA   LEU  16           HA       LEU  16  94.779   4.938   4.951
  120    HB2  LEU  16           HB2      LEU  16  96.456   4.817   6.581
  121    HB3  LEU  16           HB1      LEU  16  95.344   6.025   7.212
  122    HG   LEU  16           HG       LEU  16  95.488   3.107   8.056
  123   HD11  LEU  16          HD11      LEU  16  96.274   4.036  10.182
  124   HD12  LEU  16          HD12      LEU  16  96.123   5.674   9.540
  125   HD13  LEU  16          HD13      LEU  16  97.323   4.573   8.870
  126   HD21  LEU  16          HD21      LEU  16  93.178   3.851   8.204
  127   HD22  LEU  16          HD22      LEU  16  93.674   5.382   8.919
  128   HD23  LEU  16          HD23      LEU  16  93.862   3.884   9.825
  129    H    GLU  17           HN       GLU  17  95.994   2.900   4.795
  130    HA   GLU  17           HA       GLU  17  94.299   0.704   4.449
  131    HB2  GLU  17           HB2      GLU  17  96.345  -0.648   4.188
  132    HB3  GLU  17           HB1      GLU  17  96.446   0.863   3.292
  133    HG2  GLU  17           HG2      GLU  17  97.792   1.863   5.080
  134    HG3  GLU  17           HG1      GLU  17  97.637   0.396   6.044
  135    H    GLY  18           HN       GLY  18  93.797  -1.082   5.598
  136    HA2  GLY  18           HA2      GLY  18  93.700  -2.589   7.336
  137    HA3  GLY  18           HA1      GLY  18  95.039  -1.747   8.111
  138    H    GLY  19           HN       GLY  19  92.506   0.301   7.160
  139    HA2  GLY  19           HA2      GLY  19  91.636   0.603   9.964
  140    HA3  GLY  19           HA1      GLY  19  91.395   1.770   8.667
  141    H    GLU  20           HN       GLU  20  89.162   1.692   9.566
  142    HA   GLU  20           HA       GLU  20  87.584  -0.507   8.340
  143    HB2  GLU  20           HB2      GLU  20  87.465  -0.406  10.849
  144    HB3  GLU  20           HB1      GLU  20  86.821   1.229  10.709
  145    HG2  GLU  20           HG2      GLU  20  84.918   0.393   9.412
  146    HG3  GLU  20           HG1      GLU  20  85.575  -1.240   9.470
  147    H    ALA  21           HN       ALA  21  85.513   0.235   7.376
  148    HA   ALA  21           HA       ALA  21  85.297   3.144   6.946
  149    HB1  ALA  21           HB1      ALA  21  84.977   2.508   4.385
  150    HB2  ALA  21           HB2      ALA  21  86.021   1.161   4.826
  151    HB3  ALA  21           HB3      ALA  21  86.584   2.810   5.046
  152    H    LEU  22           HN       LEU  22  83.222   3.857   6.464
  153    HA   LEU  22           HA       LEU  22  81.141   1.780   6.167
  154    HB2  LEU  22           HB2      LEU  22  81.052   4.034   8.188
  155    HB3  LEU  22           HB1      LEU  22  79.751   2.897   7.854
  156    HG   LEU  22           HG       LEU  22  81.719   1.104   8.367
  157   HD11  LEU  22          HD11      LEU  22  83.209   1.840  10.097
  158   HD12  LEU  22          HD12      LEU  22  82.390   3.395  10.235
  159   HD13  LEU  22          HD13      LEU  22  83.339   3.024   8.799
  160   HD21  LEU  22          HD21      LEU  22  80.919   1.206  10.815
  161   HD22  LEU  22          HD22      LEU  22  79.677   0.993   9.583
  162   HD23  LEU  22          HD23      LEU  22  79.932   2.578  10.314
  163    H    PHE  23           HN       PHE  23  79.786   2.174   4.599
  164    HA   PHE  23           HA       PHE  23  79.353   4.962   3.666
  165    HB2  PHE  23           HB2      PHE  23  79.370   2.297   2.239
  166    HB3  PHE  23           HB1      PHE  23  78.455   3.649   1.577
  167    HD1  PHE  23           HD1      PHE  23  81.827   2.390   2.392
  168    HD2  PHE  23           HD2      PHE  23  79.559   5.613   0.695
  169    HE1  PHE  23           HE1      PHE  23  83.893   3.324   1.387
  170    HE2  PHE  23           HE2      PHE  23  81.616   6.533  -0.313
  171    HZ   PHE  23           HZ       PHE  23  83.774   5.407   0.026
  172    H    GLU  24           HN       GLU  24  77.540   5.626   4.761
  173    HA   GLU  24           HA       GLU  24  75.168   3.863   4.603
  174    HB2  GLU  24           HB2      GLU  24  74.615   4.222   6.832
  175    HB3  GLU  24           HB1      GLU  24  76.373   4.164   6.909
  176    HG2  GLU  24           HG2      GLU  24  75.854   6.066   8.176
  177    HG3  GLU  24           HG1      GLU  24  76.254   6.745   6.597
  178    H    CYS  25           HN       CYS  25  73.137   4.888   4.557
  179    HA   CYS  25           HA       CYS  25  73.057   7.746   3.820
  180    HB2  CYS  25           HB2      CYS  25  71.833   5.575   2.105
  181    HB3  CYS  25           HB1      CYS  25  71.885   7.304   1.767
  182    HG   CYS  25           HG       CYS  25  74.565   7.030   1.650
  183    H    GLN  26           HN       GLN  26  70.914   8.641   3.882
  184    HA   GLN  26           HA       GLN  26  69.111   7.155   5.708
  185    HB2  GLN  26           HB2      GLN  26  69.249  10.105   5.035
  186    HB3  GLN  26           HB1      GLN  26  68.172   9.365   6.220
  187    HG2  GLN  26           HG2      GLN  26  71.197   9.215   6.330
  188    HG3  GLN  26           HG1      GLN  26  70.233  10.373   7.239
  189   HE21  GLN  26          HE21      GLN  26  71.924   7.761   7.911
  190   HE22  GLN  26          HE22      GLN  26  70.907   6.958   9.010
  191    H    LEU  27           HN       LEU  27  67.738   5.996   4.503
  192    HA   LEU  27           HA       LEU  27  66.449   7.254   2.146
  193    HB2  LEU  27           HB2      LEU  27  67.790   5.419   1.485
  194    HB3  LEU  27           HB1      LEU  27  67.204   4.404   2.799
  195    HG   LEU  27           HG       LEU  27  65.295   5.499   0.731
  196   HD11  LEU  27          HD11      LEU  27  67.086   3.063   0.506
  197   HD12  LEU  27          HD12      LEU  27  66.996   4.434  -0.600
  198   HD13  LEU  27          HD13      LEU  27  65.648   3.299  -0.492
  199   HD21  LEU  27          HD21      LEU  27  65.085   3.677   3.006
  200   HD22  LEU  27          HD22      LEU  27  64.656   2.829   1.531
  201   HD23  LEU  27          HD23      LEU  27  63.815   4.306   1.970
  202    H    SER  28           HN       SER  28  64.294   7.479   2.102
  203    HA   SER  28           HA       SER  28  62.731   6.539   4.416
  204    HB2  SER  28           HB2      SER  28  62.630   8.920   3.956
  205    HB3  SER  28           HB1      SER  28  62.120   8.610   2.300
  206    HG   SER  28           HG       SER  28  60.538   8.966   4.263
  207    H    GLN  29           HN       GLN  29  62.101   4.544   4.035
  208    HA   GLN  29           HA       GLN  29  59.879   3.972   2.476
  209    HB2  GLN  29           HB2      GLN  29  61.735   4.032   0.683
  210    HB3  GLN  29           HB1      GLN  29  62.344   2.571   1.429
  211    HG2  GLN  29           HG2      GLN  29  60.291   2.782  -0.554
  212    HG3  GLN  29           HG1      GLN  29  60.887   1.325   0.211
  213   HE21  GLN  29          HE21      GLN  29  58.161   3.429  -0.087
  214   HE22  GLN  29          HE22      GLN  29  57.185   2.672   1.079
  215    HA   PRO  30           HA       PRO  30  60.687   1.290   6.115
  216    HB2  PRO  30           HB2      PRO  30  57.985   0.251   6.006
  217    HB3  PRO  30           HB1      PRO  30  58.687   1.368   7.184
  218    HG2  PRO  30           HG2      PRO  30  56.838   1.960   5.079
  219    HG3  PRO  30           HG1      PRO  30  57.527   3.069   6.266
  220    HD2  PRO  30           HD2      PRO  30  58.128   2.906   3.461
  221    HD3  PRO  30           HD1      PRO  30  58.837   4.005   4.654
  222    H    GLU  31           HN       GLU  31  59.481   0.300   2.997
  223    HA   GLU  31           HA       GLU  31  60.847  -2.276   3.300
  224    HB2  GLU  31           HB2      GLU  31  58.464  -2.715   3.915
  225    HB3  GLU  31           HB1      GLU  31  57.972  -2.096   2.340
  226    HG2  GLU  31           HG2      GLU  31  59.380  -3.847   1.249
  227    HG3  GLU  31           HG1      GLU  31  59.762  -4.493   2.842
  228    H    VAL  32           HN       VAL  32  61.906  -2.824   1.449
  229    HA   VAL  32           HA       VAL  32  61.206  -1.358  -1.037
  230    HB   VAL  32           HB       VAL  32  63.284  -0.458  -0.200
  231   HG11  VAL  32          HG11      VAL  32  65.132  -1.750   0.508
  232   HG12  VAL  32          HG12      VAL  32  64.495  -3.222  -0.224
  233   HG13  VAL  32          HG13      VAL  32  63.744  -2.564   1.226
  234   HG21  VAL  32          HG21      VAL  32  64.250  -2.428  -2.261
  235   HG22  VAL  32          HG22      VAL  32  64.546  -0.694  -2.149
  236   HG23  VAL  32          HG23      VAL  32  62.982  -1.286  -2.703
  237    H    ALA  33           HN       ALA  33  60.418  -2.687  -2.482
  238    HA   ALA  33           HA       ALA  33  60.940  -5.537  -2.406
  239    HB1  ALA  33           HB1      ALA  33  58.683  -4.919  -2.870
  240    HB2  ALA  33           HB2      ALA  33  59.350  -5.530  -4.381
  241    HB3  ALA  33           HB3      ALA  33  59.179  -3.791  -4.130
  242    H    ALA  34           HN       ALA  34  62.666  -3.010  -3.639
  243    HA   ALA  34           HA       ALA  34  64.086  -4.746  -5.463
  244    HB1  ALA  34           HB1      ALA  34  62.805  -2.229  -6.552
  245    HB2  ALA  34           HB2      ALA  34  62.252  -3.868  -6.895
  246    HB3  ALA  34           HB3      ALA  34  63.848  -3.345  -7.436
  247    H    HIS  35           HN       HIS  35  66.145  -4.391  -4.977
  248    HA   HIS  35           HA       HIS  35  67.184  -1.661  -4.834
  249    HB2  HIS  35           HB2      HIS  35  68.396  -2.293  -2.655
  250    HB3  HIS  35           HB1      HIS  35  66.682  -1.887  -2.537
  251    HD1  HIS  35           HD1      HIS  35  65.095  -4.188  -2.932
  252    HD2  HIS  35           HD2      HIS  35  68.914  -4.668  -1.345
  253    HE1  HIS  35           HE1      HIS  35  65.097  -6.425  -1.752
  254    H    THR  36           HN       THR  36  69.234  -1.521  -5.602
  255    HA   THR  36           HA       THR  36  70.775  -4.036  -5.909
  256    HB   THR  36           HB       THR  36  70.457  -1.841  -7.971
  257    HG1  THR  36           HG1      THR  36  69.436  -4.452  -7.670
  258   HG21  THR  36          HG21      THR  36  72.045  -4.418  -7.930
  259   HG22  THR  36          HG22      THR  36  72.686  -2.780  -8.058
  260   HG23  THR  36          HG23      THR  36  71.755  -3.467  -9.382
  261    H    TRP  37           HN       TRP  37  72.665  -3.885  -4.928
  262    HA   TRP  37           HA       TRP  37  73.963  -1.227  -4.638
  263    HB2  TRP  37           HB2      TRP  37  73.155  -2.540  -2.540
  264    HB3  TRP  37           HB1      TRP  37  74.509  -3.613  -2.865
  265    HD1  TRP  37           HD1      TRP  37  76.789  -1.639  -3.649
  266    HE1  TRP  37           HE1      TRP  37  77.711   0.056  -1.947
  267    HE3  TRP  37           HE3      TRP  37  72.862  -1.441  -0.402
  268    HZ2  TRP  37           HZ2      TRP  37  76.891   1.328   0.482
  269    HZ3  TRP  37           HZ3      TRP  37  72.954   0.013   1.597
  270    HH2  TRP  37           HH2      TRP  37  74.961   1.402   2.048
  271    H    LEU  38           HN       LEU  38  75.616  -1.048  -5.973
  272    HA   LEU  38           HA       LEU  38  77.501  -3.299  -6.285
  273    HB2  LEU  38           HB2      LEU  38  76.317  -1.697  -8.558
  274    HB3  LEU  38           HB1      LEU  38  77.699  -2.775  -8.713
  275    HG   LEU  38           HG       LEU  38  74.949  -3.620  -7.740
  276   HD11  LEU  38          HD11      LEU  38  75.018  -2.940 -10.142
  277   HD12  LEU  38          HD12      LEU  38  74.715  -4.668  -9.947
  278   HD13  LEU  38          HD13      LEU  38  76.321  -4.101 -10.409
  279   HD21  LEU  38          HD21      LEU  38  77.581  -5.040  -8.149
  280   HD22  LEU  38          HD22      LEU  38  76.087  -5.922  -8.448
  281   HD23  LEU  38          HD23      LEU  38  76.400  -5.240  -6.862
  282    H    LEU  39           HN       LEU  39  79.292  -2.543  -5.441
  283    HA   LEU  39           HA       LEU  39  80.113   0.250  -5.904
  284    HB2  LEU  39           HB2      LEU  39  81.976  -0.758  -4.173
  285    HB3  LEU  39           HB1      LEU  39  80.482  -0.027  -3.637
  286    HG   LEU  39           HG       LEU  39  79.434  -2.324  -3.666
  287   HD11  LEU  39          HD11      LEU  39  82.341  -3.130  -4.021
  288   HD12  LEU  39          HD12      LEU  39  81.019  -3.474  -5.139
  289   HD13  LEU  39          HD13      LEU  39  81.058  -4.232  -3.549
  290   HD21  LEU  39          HD21      LEU  39  80.227  -1.223  -1.607
  291   HD22  LEU  39          HD22      LEU  39  81.827  -1.920  -1.857
  292   HD23  LEU  39          HD23      LEU  39  80.446  -2.972  -1.532
  293    H    ASP  40           HN       ASP  40  82.668  -1.917  -5.238
  294    HA   ASP  40           HA       ASP  40  83.859  -1.598  -7.758
  295    HB2  ASP  40           HB2      ASP  40  85.095  -2.467  -5.714
  296    HB3  ASP  40           HB1      ASP  40  84.210  -3.985  -5.893
  297    H    ASP  41           HN       ASP  41  84.057  -3.513  -9.314
  298    HA   ASP  41           HA       ASP  41  81.484  -4.208 -10.175
  299    HB2  ASP  41           HB2      ASP  41  82.637  -5.570 -11.888
  300    HB3  ASP  41           HB1      ASP  41  83.294  -3.942 -11.761
  301    H    GLU  42           HN       GLU  42  81.756  -5.177  -7.494
  302    HA   GLU  42           HA       GLU  42  81.257  -8.045  -8.009
  303    HB2  GLU  42           HB2      GLU  42  82.929  -6.927  -5.746
  304    HB3  GLU  42           HB1      GLU  42  82.300  -8.575  -5.773
  305    HG2  GLU  42           HG2      GLU  42  83.462  -8.986  -7.915
  306    HG3  GLU  42           HG1      GLU  42  84.120  -7.348  -7.867
  307    HA   PRO  43           HA       PRO  43  77.499  -7.024  -5.808
  308    HB2  PRO  43           HB2      PRO  43  77.162  -9.704  -4.729
  309    HB3  PRO  43           HB1      PRO  43  76.274  -8.940  -6.056
  310    HG2  PRO  43           HG2      PRO  43  78.256 -10.988  -6.225
  311    HG3  PRO  43           HG1      PRO  43  77.389 -10.196  -7.548
  312    HD2  PRO  43           HD2      PRO  43  80.167  -9.879  -6.819
  313    HD3  PRO  43           HD1      PRO  43  79.282  -9.098  -8.146
  314    H    VAL  44           HN       VAL  44  76.967  -6.421  -3.646
  315    HA   VAL  44           HA       VAL  44  79.178  -6.712  -1.764
  316    HB   VAL  44           HB       VAL  44  76.612  -5.256  -1.165
  317   HG11  VAL  44          HG11      VAL  44  78.147  -3.851   0.134
  318   HG12  VAL  44          HG12      VAL  44  79.515  -4.816  -0.412
  319   HG13  VAL  44          HG13      VAL  44  78.284  -5.537   0.621
  320   HG21  VAL  44          HG21      VAL  44  77.111  -4.304  -3.255
  321   HG22  VAL  44          HG22      VAL  44  78.847  -4.456  -3.013
  322   HG23  VAL  44          HG23      VAL  44  77.939  -3.236  -2.125
  323    H    ARG  45           HN       ARG  45  79.114  -8.783  -1.131
  324    HA   ARG  45           HA       ARG  45  77.233  -9.415   0.999
  325    HB2  ARG  45           HB2      ARG  45  77.641 -11.163  -1.438
  326    HB3  ARG  45           HB1      ARG  45  77.070 -11.794   0.102
  327    HG2  ARG  45           HG2      ARG  45  75.710  -9.521  -1.376
  328    HG3  ARG  45           HG1      ARG  45  75.246 -11.207  -1.565
  329    HD2  ARG  45           HD2      ARG  45  73.809 -10.789   0.168
  330    HD3  ARG  45           HD1      ARG  45  75.227 -10.940   1.191
  331    HE   ARG  45           HE       ARG  45  75.088  -8.282   0.296
  332   HH11  ARG  45          HH21      ARG  45  75.025  -9.593   3.164
  333   HH12  ARG  45          HH22      ARG  45  73.618  -8.813   3.807
  334   HH21  ARG  45          HH11      ARG  45  72.514  -7.672   0.732
  335   HH22  ARG  45          HH12      ARG  45  72.202  -7.727   2.436
  336    H    THR  46           HN       THR  46  79.156 -11.792  -0.561
  337    HA   THR  46           HA       THR  46  81.092 -12.890  -0.003
  338    HB   THR  46           HB       THR  46  82.980 -11.541   0.104
  339    HG1  THR  46           HG1      THR  46  83.216 -10.061   1.577
  340   HG21  THR  46          HG21      THR  46  81.140 -10.709  -1.599
  341   HG22  THR  46          HG22      THR  46  82.613  -9.769  -1.350
  342   HG23  THR  46          HG23      THR  46  81.116  -9.288  -0.552
  343    H    SER  47           HN       SER  47  82.537 -11.377   2.578
  344    HA   SER  47           HA       SER  47  80.948 -12.788   4.632
  345    HB2  SER  47           HB2      SER  47  83.938 -13.077   4.364
  346    HB3  SER  47           HB1      SER  47  82.859 -13.963   5.443
  347    HG   SER  47           HG       SER  47  81.839 -14.766   3.483
  348    H    GLU  48           HN       GLU  48  83.345 -12.416   6.462
  349    HA   GLU  48           HA       GLU  48  82.559 -10.025   7.672
  350    HB2  GLU  48           HB2      GLU  48  84.520 -10.228   9.073
  351    HB3  GLU  48           HB1      GLU  48  83.886 -11.844   8.779
  352    HG2  GLU  48           HG2      GLU  48  85.553 -12.133   6.954
  353    HG3  GLU  48           HG1      GLU  48  86.221 -10.553   7.338
  354    H    ASN  49           HN       ASN  49  85.118 -10.628   5.320
  355    HA   ASN  49           HA       ASN  49  86.301  -8.059   5.403
  356    HB2  ASN  49           HB2      ASN  49  87.260  -8.665   3.179
  357    HB3  ASN  49           HB1      ASN  49  87.503  -9.903   4.406
  358   HD21  ASN  49          HD21      ASN  49  87.754 -11.265   2.305
  359   HD22  ASN  49          HD22      ASN  49  86.337 -11.942   1.662
  360    H    ALA  50           HN       ALA  50  83.216  -8.658   4.675
  361    HA   ALA  50           HA       ALA  50  82.529  -6.169   3.728
  362    HB1  ALA  50           HB1      ALA  50  83.372  -8.038   1.540
  363    HB2  ALA  50           HB2      ALA  50  83.577  -6.287   1.656
  364    HB3  ALA  50           HB3      ALA  50  82.003  -6.961   1.240
  365    H    GLU  51           HN       GLU  51  80.321  -6.020   3.925
  366    HA   GLU  51           HA       GLU  51  78.485  -7.994   3.107
  367    HB2  GLU  51           HB2      GLU  51  79.475  -9.304   4.977
  368    HB3  GLU  51           HB1      GLU  51  79.035  -8.013   6.092
  369    HG2  GLU  51           HG2      GLU  51  76.647  -8.331   5.479
  370    HG3  GLU  51           HG1      GLU  51  77.120  -9.640   4.400
  371    H    VAL  52           HN       VAL  52  76.381  -7.107   3.092
  372    HA   VAL  52           HA       VAL  52  76.176  -4.400   4.145
  373    HB   VAL  52           HB       VAL  52  74.038  -5.913   2.645
  374   HG11  VAL  52          HG11      VAL  52  74.850  -2.990   2.729
  375   HG12  VAL  52          HG12      VAL  52  73.488  -3.695   3.600
  376   HG13  VAL  52          HG13      VAL  52  73.486  -3.659   1.837
  377   HG21  VAL  52          HG21      VAL  52  76.346  -4.393   1.414
  378   HG22  VAL  52          HG22      VAL  52  75.041  -5.198   0.554
  379   HG23  VAL  52          HG23      VAL  52  76.224  -6.148   1.445
  380    H    VAL  53           HN       VAL  53  74.723  -3.728   5.624
  381    HA   VAL  53           HA       VAL  53  72.839  -5.585   6.878
  382    HB   VAL  53           HB       VAL  53  73.662  -4.872   9.161
  383   HG11  VAL  53          HG11      VAL  53  75.456  -6.506   9.223
  384   HG12  VAL  53          HG12      VAL  53  75.721  -6.340   7.486
  385   HG13  VAL  53          HG13      VAL  53  74.236  -7.079   8.085
  386   HG21  VAL  53          HG21      VAL  53  74.949  -2.890   8.242
  387   HG22  VAL  53          HG22      VAL  53  76.134  -4.033   7.614
  388   HG23  VAL  53          HG23      VAL  53  75.874  -3.900   9.354
  389    H    PHE  54           HN       PHE  54  71.100  -4.457   7.910
  390    HA   PHE  54           HA       PHE  54  71.176  -1.558   8.042
  391    HB2  PHE  54           HB2      PHE  54  69.437  -1.137   6.439
  392    HB3  PHE  54           HB1      PHE  54  70.690  -2.070   5.629
  393    HD1  PHE  54           HD1      PHE  54  70.326  -4.451   5.066
  394    HD2  PHE  54           HD2      PHE  54  67.272  -2.073   6.926
  395    HE1  PHE  54           HE1      PHE  54  68.633  -6.164   4.480
  396    HE2  PHE  54           HE2      PHE  54  65.582  -3.793   6.345
  397    HZ   PHE  54           HZ       PHE  54  66.263  -5.835   5.120
  398    H    PHE  55           HN       PHE  55  69.354  -0.662   9.202
  399    HA   PHE  55           HA       PHE  55  67.603  -2.673  10.519
  400    HB2  PHE  55           HB2      PHE  55  68.770  -0.336  12.025
  401    HB3  PHE  55           HB1      PHE  55  67.997  -1.785  12.663
  402    HD1  PHE  55           HD2      PHE  55  69.270  -4.026  11.423
  403    HD2  PHE  55           HD1      PHE  55  71.032  -0.283  12.598
  404    HE1  PHE  55           HE2      PHE  55  71.484  -5.119  11.596
  405    HE2  PHE  55           HE1      PHE  55  73.244  -1.382  12.781
  406    HZ   PHE  55           HZ       PHE  55  73.474  -3.798  12.270
  407    H    GLU  56           HN       GLU  56  66.100  -1.240  12.090
  408    HA   GLU  56           HA       GLU  56  64.254   0.075  12.217
  409    HB2  GLU  56           HB2      GLU  56  65.999   1.853  10.518
  410    HB3  GLU  56           HB1      GLU  56  64.435   2.351  11.172
  411    HG2  GLU  56           HG2      GLU  56  65.221   1.914  13.449
  412    HG3  GLU  56           HG1      GLU  56  66.767   1.342  12.823
  413    H    ASN  57           HN       ASN  57  64.620  -1.877   9.977
  414    HA   ASN  57           HA       ASN  57  63.354  -2.684   8.247
  415    HB2  ASN  57           HB2      ASN  57  61.519  -1.775   9.839
  416    HB3  ASN  57           HB1      ASN  57  61.384  -0.448   8.686
  417   HD21  ASN  57          HD21      ASN  57  59.229  -1.155   8.000
  418   HD22  ASN  57          HD22      ASN  57  59.024  -2.546   7.047
  419    H    GLY  58           HN       GLY  58  65.441  -0.816   7.631
  420    HA2  GLY  58           HA2      GLY  58  66.157  -0.124   5.506
  421    HA3  GLY  58           HA1      GLY  58  64.488   0.019   4.992
  422    H    LEU  59           HN       LEU  59  64.640   1.594   7.930
  423    HA   LEU  59           HA       LEU  59  64.391   4.145   6.725
  424    HB2  LEU  59           HB2      LEU  59  63.613   3.372   9.108
  425    HB3  LEU  59           HB1      LEU  59  65.244   3.823   9.594
  426    HG   LEU  59           HG       LEU  59  64.863   6.074   8.500
  427   HD11  LEU  59          HD11      LEU  59  62.159   4.838   8.094
  428   HD12  LEU  59          HD12      LEU  59  63.049   5.964   7.072
  429   HD13  LEU  59          HD13      LEU  59  62.225   6.551   8.509
  430   HD21  LEU  59          HD21      LEU  59  64.776   6.014  10.875
  431   HD22  LEU  59          HD22      LEU  59  63.247   5.135  10.876
  432   HD23  LEU  59          HD23      LEU  59  63.287   6.832  10.401
  433    H    ARG  60           HN       ARG  60  67.047   2.255   7.851
  434    HA   ARG  60           HA       ARG  60  68.927   4.293   6.855
  435    HB2  ARG  60           HB2      ARG  60  68.765   4.344   9.428
  436    HB3  ARG  60           HB1      ARG  60  69.523   2.753   9.384
  437    HG2  ARG  60           HG2      ARG  60  71.424   3.660   8.136
  438    HG3  ARG  60           HG1      ARG  60  70.667   5.250   8.102
  439    HD2  ARG  60           HD2      ARG  60  71.478   3.744  10.601
  440    HD3  ARG  60           HD1      ARG  60  72.366   5.086   9.885
  441    HE   ARG  60           HE       ARG  60  69.854   6.100  10.275
  442   HH11  ARG  60          HH11      ARG  60  72.672   6.094  11.953
  443   HH12  ARG  60          HH12      ARG  60  71.991   6.178  13.544
  444   HH21  ARG  60          HH21      ARG  60  68.752   5.525  12.484
  445   HH22  ARG  60          HH22      ARG  60  69.771   5.855  13.846
  446    H    HIS  61           HN       HIS  61  70.806   3.426   5.982
  447    HA   HIS  61           HA       HIS  61  71.014   0.475   5.816
  448    HB2  HIS  61           HB2      HIS  61  70.889   2.464   3.547
  449    HB3  HIS  61           HB1      HIS  61  71.768   0.949   3.359
  450    HD1  HIS  61           HD1      HIS  61  68.284   2.312   3.842
  451    HD2  HIS  61           HD2      HIS  61  70.147  -1.363   3.183
  452    HE1  HIS  61           HE1      HIS  61  66.445   0.655   3.310
  453    H    LEU  62           HN       LEU  62  73.006  -0.134   6.459
  454    HA   LEU  62           HA       LEU  62  75.288   1.704   5.957
  455    HB2  LEU  62           HB2      LEU  62  76.175   0.441   8.170
  456    HB3  LEU  62           HB1      LEU  62  75.261   1.942   8.251
  457    HG   LEU  62           HG       LEU  62  73.699  -0.630   8.191
  458   HD11  LEU  62          HD11      LEU  62  73.928  -0.925  10.603
  459   HD12  LEU  62          HD12      LEU  62  75.050   0.431  10.691
  460   HD13  LEU  62          HD13      LEU  62  75.513  -1.042   9.845
  461   HD21  LEU  62          HD21      LEU  62  72.493   1.508   8.222
  462   HD22  LEU  62          HD22      LEU  62  73.403   2.029   9.642
  463   HD23  LEU  62          HD23      LEU  62  72.264   0.691   9.768
  464    H    LEU  63           HN       LEU  63  77.048   0.836   5.118
  465    HA   LEU  63           HA       LEU  63  77.188  -2.108   4.697
  466    HB2  LEU  63           HB2      LEU  63  76.848  -1.129   2.560
  467    HB3  LEU  63           HB1      LEU  63  77.889   0.237   2.926
  468    HG   LEU  63           HG       LEU  63  79.868  -1.145   2.820
  469   HD11  LEU  63          HD11      LEU  63  79.424  -3.635   2.052
  470   HD12  LEU  63          HD12      LEU  63  77.866  -3.388   2.839
  471   HD13  LEU  63          HD13      LEU  63  79.353  -3.216   3.757
  472   HD21  LEU  63          HD21      LEU  63  79.191  -0.376   0.668
  473   HD22  LEU  63          HD22      LEU  63  77.915  -1.584   0.554
  474   HD23  LEU  63          HD23      LEU  63  79.607  -2.075   0.464
  475    H    LEU  64           HN       LEU  64  78.844  -2.975   5.975
  476    HA   LEU  64           HA       LEU  64  80.984  -1.164   6.799
  477    HB2  LEU  64           HB2      LEU  64  79.560  -2.543   8.383
  478    HB3  LEU  64           HB1      LEU  64  80.371  -3.966   7.749
  479    HG   LEU  64           HG       LEU  64  82.142  -1.717   8.675
  480   HD11  LEU  64          HD11      LEU  64  80.440  -3.411  10.504
  481   HD12  LEU  64          HD12      LEU  64  80.652  -1.661  10.519
  482   HD13  LEU  64          HD13      LEU  64  81.970  -2.713  11.038
  483   HD21  LEU  64          HD21      LEU  64  82.200  -4.745   8.947
  484   HD22  LEU  64          HD22      LEU  64  83.460  -3.662   9.537
  485   HD23  LEU  64          HD23      LEU  64  83.137  -3.778   7.809
  486    H    LEU  65           HN       LEU  65  83.005  -1.354   6.201
  487    HA   LEU  65           HA       LEU  65  83.866  -3.623   4.513
  488    HB2  LEU  65           HB2      LEU  65  84.841  -0.758   4.458
  489    HB3  LEU  65           HB1      LEU  65  85.423  -2.060   3.430
  490    HG   LEU  65           HG       LEU  65  82.569  -1.020   3.505
  491   HD11  LEU  65          HD11      LEU  65  83.117  -0.213   1.194
  492   HD12  LEU  65          HD12      LEU  65  84.799  -0.662   1.478
  493   HD13  LEU  65          HD13      LEU  65  84.048   0.601   2.450
  494   HD21  LEU  65          HD21      LEU  65  82.370  -3.267   2.835
  495   HD22  LEU  65          HD22      LEU  65  83.935  -3.265   2.020
  496   HD23  LEU  65          HD23      LEU  65  82.556  -2.440   1.291
  497    H    LYS  66           HN       LYS  66  86.386  -3.824   4.610
  498    HA   LYS  66           HA       LYS  66  87.621  -3.007   7.036
  499    HB2  LYS  66           HB2      LYS  66  85.998  -5.220   7.370
  500    HB3  LYS  66           HB1      LYS  66  87.548  -5.979   7.035
  501    HG2  LYS  66           HG2      LYS  66  88.601  -4.734   8.846
  502    HG3  LYS  66           HG1      LYS  66  87.115  -3.834   9.141
  503    HD2  LYS  66           HD2      LYS  66  87.039  -6.844   9.247
  504    HD3  LYS  66           HD1      LYS  66  87.699  -5.955  10.618
  505    HE2  LYS  66           HE2      LYS  66  84.958  -5.452   9.420
  506    HE3  LYS  66           HE1      LYS  66  85.257  -6.424  10.856
  507    HZ1  LYS  66           HZ1      LYS  66  86.420  -3.747  10.804
  508    HZ2  LYS  66           HZ2      LYS  66  85.742  -4.616  12.101
  509    HZ3  LYS  66           HZ3      LYS  66  84.733  -3.838  10.974
  510    H    ASN  67           HN       ASN  67  89.709  -4.602   7.292
  511    HA   ASN  67           HA       ASN  67  91.815  -4.835   6.351
  512    HB2  ASN  67           HB2      ASN  67  91.797  -6.559   4.503
  513    HB3  ASN  67           HB1      ASN  67  90.969  -7.046   5.982
  514   HD21  ASN  67          HD21      ASN  67  88.853  -7.765   5.731
  515   HD22  ASN  67          HD22      ASN  67  87.896  -7.493   4.356
  516    H    LEU  68           HN       LEU  68  91.128  -2.433   5.722
  517    HA   LEU  68           HA       LEU  68  90.688  -1.737   3.056
  518    HB2  LEU  68           HB2      LEU  68  92.172  -0.289   5.247
  519    HB3  LEU  68           HB1      LEU  68  91.737   0.449   3.709
  520    HG   LEU  68           HG       LEU  68  89.741  -0.796   5.629
  521   HD11  LEU  68          HD11      LEU  68  90.126   2.152   5.094
  522   HD12  LEU  68          HD12      LEU  68  90.975   1.330   6.403
  523   HD13  LEU  68          HD13      LEU  68  89.214   1.389   6.395
  524   HD21  LEU  68          HD21      LEU  68  88.244   0.813   4.094
  525   HD22  LEU  68          HD22      LEU  68  88.623  -0.827   3.590
  526   HD23  LEU  68          HD23      LEU  68  89.541   0.527   2.934
  527    H    ARG  69           HN       ARG  69  91.954  -1.515   1.295
  528    HA   ARG  69           HA       ARG  69  94.880  -1.744   1.516
  529    HB2  ARG  69           HB2      ARG  69  93.038  -3.587  -0.012
  530    HB3  ARG  69           HB1      ARG  69  94.706  -3.350  -0.519
  531    HG2  ARG  69           HG2      ARG  69  94.154  -4.028   2.362
  532    HG3  ARG  69           HG1      ARG  69  94.072  -5.308   1.159
  533    HD2  ARG  69           HD2      ARG  69  96.365  -4.767   0.419
  534    HD3  ARG  69           HD1      ARG  69  96.450  -3.481   1.621
  535    HE   ARG  69           HE       ARG  69  95.763  -5.891   2.917
  536   HH11  ARG  69          HH21      ARG  69  98.390  -3.973   1.797
  537   HH12  ARG  69          HH22      ARG  69  99.613  -5.020   2.437
  538   HH21  ARG  69          HH11      ARG  69  97.362  -7.423   3.518
  539   HH22  ARG  69          HH12      ARG  69  99.029  -6.973   3.413
  540    HA   PRO  70           HA       PRO  70  94.641   1.433  -1.560
  541    HB2  PRO  70           HB2      PRO  70  96.667   0.378  -3.341
  542    HB3  PRO  70           HB1      PRO  70  96.818   1.719  -2.198
  543    HG2  PRO  70           HG2      PRO  70  97.886  -0.950  -1.970
  544    HG3  PRO  70           HG1      PRO  70  98.111   0.423  -0.880
  545    HD2  PRO  70           HD2      PRO  70  96.557  -1.923  -0.369
  546    HD3  PRO  70           HD1      PRO  70  96.652  -0.469   0.639
  547    H    GLN  71           HN       GLN  71  94.941  -1.910  -2.610
  548    HA   GLN  71           HA       GLN  71  93.812  -1.750  -5.165
  549    HB2  GLN  71           HB2      GLN  71  94.801  -3.837  -4.280
  550    HB3  GLN  71           HB1      GLN  71  93.455  -3.994  -3.147
  551    HG2  GLN  71           HG2      GLN  71  91.862  -4.190  -4.986
  552    HG3  GLN  71           HG1      GLN  71  93.141  -3.880  -6.163
  553   HE21  GLN  71          HE21      GLN  71  91.655  -6.260  -6.370
  554   HE22  GLN  71          HE22      GLN  71  92.639  -7.579  -5.948
  555    H    ASP  72           HN       ASP  72  92.114  -2.489  -2.063
  556    HA   ASP  72           HA       ASP  72  89.568  -2.688  -2.871
  557    HB2  ASP  72           HB2      ASP  72  90.689  -1.299  -0.440
  558    HB3  ASP  72           HB1      ASP  72  88.962  -1.582  -0.654
  559    H    SER  73           HN       SER  73  91.197   0.525  -2.344
  560    HA   SER  73           HA       SER  73  89.052   2.155  -2.611
  561    HB2  SER  73           HB2      SER  73  91.122   3.210  -2.263
  562    HB3  SER  73           HB1      SER  73  91.867   2.390  -3.632
  563    HG   SER  73           HG       SER  73  91.311   4.588  -4.068
  564    H    CYS  74           HN       CYS  74  87.433   2.116  -3.999
  565    HA   CYS  74           HA       CYS  74  87.984   1.994  -6.872
  566    HB2  CYS  74           HB2      CYS  74  87.578  -0.372  -5.792
  567    HB3  CYS  74           HB1      CYS  74  85.886   0.118  -5.832
  568    HG   CYS  74           HG       CYS  74  87.239  -0.959  -8.177
  569    H    ARG  75           HN       ARG  75  85.230   1.344  -7.453
  570    HA   ARG  75           HA       ARG  75  84.064   3.991  -7.051
  571    HB2  ARG  75           HB2      ARG  75  84.394   2.671  -9.306
  572    HB3  ARG  75           HB1      ARG  75  82.936   1.821  -8.809
  573    HG2  ARG  75           HG2      ARG  75  82.070   3.591 -10.078
  574    HG3  ARG  75           HG1      ARG  75  81.955   4.221  -8.436
  575    HD2  ARG  75           HD2      ARG  75  84.034   5.458  -8.724
  576    HD3  ARG  75           HD1      ARG  75  84.274   4.740 -10.312
  577    HE   ARG  75           HE       ARG  75  81.781   6.073 -10.254
  578   HH11  ARG  75          HH21      ARG  75  83.285   8.202  -8.890
  579   HH12  ARG  75          HH22      ARG  75  84.015   9.083 -10.191
  580   HH21  ARG  75          HH11      ARG  75  83.584   6.535 -12.506
  581   HH22  ARG  75          HH12      ARG  75  84.186   8.140 -12.239
  582    H    VAL  76           HN       VAL  76  82.433   4.329  -5.666
  583    HA   VAL  76           HA       VAL  76  80.952   1.988  -4.613
  584    HB   VAL  76           HB       VAL  76  81.067   4.688  -3.284
  585   HG11  VAL  76          HG11      VAL  76  79.382   3.084  -2.486
  586   HG12  VAL  76          HG12      VAL  76  80.645   3.299  -1.272
  587   HG13  VAL  76          HG13      VAL  76  80.633   1.857  -2.285
  588   HG21  VAL  76          HG21      VAL  76  82.918   3.634  -1.887
  589   HG22  VAL  76          HG22      VAL  76  83.379   4.102  -3.524
  590   HG23  VAL  76          HG23      VAL  76  83.054   2.409  -3.148
  591    H    THR  77           HN       THR  77  79.047   1.762  -5.617
  592    HA   THR  77           HA       THR  77  77.378   4.178  -5.986
  593    HB   THR  77           HB       THR  77  77.723   1.950  -8.011
  594    HG1  THR  77           HG1      THR  77  78.628   4.624  -7.850
  595   HG21  THR  77          HG21      THR  77  75.459   2.871  -8.030
  596   HG22  THR  77          HG22      THR  77  76.345   3.473  -9.431
  597   HG23  THR  77          HG23      THR  77  76.102   4.514  -8.027
  598    H    PHE  78           HN       PHE  78  75.357   3.991  -5.347
  599    HA   PHE  78           HA       PHE  78  74.123   1.345  -4.895
  600    HB2  PHE  78           HB2      PHE  78  74.953   1.894  -2.704
  601    HB3  PHE  78           HB1      PHE  78  74.416   3.563  -2.854
  602    HD1  PHE  78           HD1      PHE  78  73.082   0.058  -2.866
  603    HD2  PHE  78           HD2      PHE  78  72.312   4.196  -2.000
  604    HE1  PHE  78           HE1      PHE  78  70.892  -0.553  -1.871
  605    HE2  PHE  78           HE2      PHE  78  70.128   3.582  -0.999
  606    HZ   PHE  78           HZ       PHE  78  69.416   1.208  -0.938
  607    H    LEU  79           HN       LEU  79  72.070   1.332  -5.739
  608    HA   LEU  79           HA       LEU  79  70.600   3.890  -5.790
  609    HB2  LEU  79           HB2      LEU  79  69.926   3.635  -8.106
  610    HB3  LEU  79           HB1      LEU  79  71.676   3.728  -7.992
  611    HG   LEU  79           HG       LEU  79  70.188   1.094  -8.183
  612   HD11  LEU  79          HD11      LEU  79  70.660   1.094 -10.553
  613   HD12  LEU  79          HD12      LEU  79  71.440   2.672 -10.426
  614   HD13  LEU  79          HD13      LEU  79  69.705   2.517 -10.144
  615   HD21  LEU  79          HD21      LEU  79  72.398   0.696  -7.408
  616   HD22  LEU  79          HD22      LEU  79  73.074   1.956  -8.436
  617   HD23  LEU  79          HD23      LEU  79  72.503   0.447  -9.147
  618    H    ALA  80           HN       ALA  80  68.763   3.674  -4.862
  619    HA   ALA  80           HA       ALA  80  67.356   1.068  -4.906
  620    HB1  ALA  80           HB1      ALA  80  66.085   2.101  -2.958
  621    HB2  ALA  80           HB2      ALA  80  67.268   3.405  -2.984
  622    HB3  ALA  80           HB3      ALA  80  67.785   1.755  -2.646
  623    H    GLY  81           HN       GLY  81  66.075   1.145  -6.684
  624    HA2  GLY  81           HA2      GLY  81  64.428   1.858  -8.136
  625    HA3  GLY  81           HA1      GLY  81  63.741   2.668  -6.728
  626    H    ASP  82           HN       ASP  82  63.098   4.482  -7.993
  627    HA   ASP  82           HA       ASP  82  64.538   5.938  -9.771
  628    HB2  ASP  82           HB2      ASP  82  62.536   6.853  -7.703
  629    HB3  ASP  82           HB1      ASP  82  63.100   7.855  -9.043
  630    H    MET  83           HN       MET  83  66.010   5.349  -6.938
  631    HA   MET  83           HA       MET  83  67.163   8.086  -6.747
  632    HB2  MET  83           HB2      MET  83  67.142   6.034  -4.528
  633    HB3  MET  83           HB1      MET  83  67.554   7.742  -4.425
  634    HG2  MET  83           HG2      MET  83  65.383   8.180  -3.886
  635    HG3  MET  83           HG1      MET  83  64.917   7.669  -5.505
  636    HE1  MET  83           HE1      MET  83  64.218   5.624  -1.547
  637    HE2  MET  83           HE2      MET  83  64.301   7.330  -1.977
  638    HE3  MET  83           HE3      MET  83  65.781   6.380  -1.876
  639    H    VAL  84           HN       VAL  84  69.162   8.183  -7.550
  640    HA   VAL  84           HA       VAL  84  70.954   5.836  -7.242
  641    HB   VAL  84           HB       VAL  84  70.346   5.972  -9.573
  642   HG11  VAL  84          HG11      VAL  84  69.499   8.335  -9.463
  643   HG12  VAL  84          HG12      VAL  84  70.522   8.027 -10.866
  644   HG13  VAL  84          HG13      VAL  84  71.173   8.891  -9.473
  645   HG21  VAL  84          HG21      VAL  84  72.808   5.722  -8.897
  646   HG22  VAL  84          HG22      VAL  84  72.995   7.419  -9.342
  647   HG23  VAL  84          HG23      VAL  84  72.507   6.238 -10.557
  648    H    THR  85           HN       THR  85  72.861   6.265  -6.335
  649    HA   THR  85           HA       THR  85  73.876   9.031  -6.216
  650    HB   THR  85           HB       THR  85  74.002   9.094  -3.869
  651    HG1  THR  85           HG1      THR  85  73.750   6.289  -4.103
  652   HG21  THR  85          HG21      THR  85  71.489   7.480  -4.467
  653   HG22  THR  85          HG22      THR  85  71.650   9.225  -4.666
  654   HG23  THR  85          HG23      THR  85  71.745   8.505  -3.062
  655    H    SER  86           HN       SER  86  76.170   9.143  -5.808
  656    HA   SER  86           HA       SER  86  77.650   6.640  -5.595
  657    HB2  SER  86           HB2      SER  86  78.993   7.115  -7.650
  658    HB3  SER  86           HB1      SER  86  77.316   6.684  -7.980
  659    HG   SER  86           HG       SER  86  78.272   8.618  -9.059
  660    H    ALA  87           HN       ALA  87  79.500   6.885  -4.534
  661    HA   ALA  87           HA       ALA  87  80.722   9.560  -4.284
  662    HB1  ALA  87           HB1      ALA  87  80.959   9.308  -1.934
  663    HB2  ALA  87           HB2      ALA  87  80.445   7.623  -1.988
  664    HB3  ALA  87           HB3      ALA  87  79.278   8.909  -2.284
  665    H    PHE  88           HN       PHE  88  82.961   9.542  -4.043
  666    HA   PHE  88           HA       PHE  88  84.285   7.240  -5.138
  667    HB2  PHE  88           HB2      PHE  88  84.908   9.540  -5.751
  668    HB3  PHE  88           HB1      PHE  88  85.394   9.851  -4.086
  669    HD1  PHE  88           HD1      PHE  88  85.969   7.307  -6.789
  670    HD2  PHE  88           HD2      PHE  88  87.665   9.594  -3.569
  671    HE1  PHE  88           HE1      PHE  88  88.206   6.367  -7.299
  672    HE2  PHE  88           HE2      PHE  88  89.898   8.651  -4.080
  673    HZ   PHE  88           HZ       PHE  88  90.170   7.043  -5.949
  674    H    LEU  89           HN       LEU  89  86.278   6.372  -4.196
  675    HA   LEU  89           HA       LEU  89  86.246   6.267  -1.235
  676    HB2  LEU  89           HB2      LEU  89  85.281   4.181  -2.026
  677    HB3  LEU  89           HB1      LEU  89  86.614   3.948  -3.153
  678    HG   LEU  89           HG       LEU  89  88.188   3.756  -1.268
  679   HD11  LEU  89          HD11      LEU  89  87.090   3.466   1.054
  680   HD12  LEU  89          HD12      LEU  89  85.732   4.338   0.362
  681   HD13  LEU  89          HD13      LEU  89  87.307   5.103   0.454
  682   HD21  LEU  89          HD21      LEU  89  86.798   1.788  -2.164
  683   HD22  LEU  89          HD22      LEU  89  85.820   1.968  -0.707
  684   HD23  LEU  89          HD23      LEU  89  87.533   1.578  -0.575
  685    H    THR  90           HN       THR  90  88.232   6.427  -0.275
  686    HA   THR  90           HA       THR  90  90.629   6.441  -2.012
  687    HB   THR  90           HB       THR  90  90.104   8.448   0.187
  688    HG1  THR  90           HG1      THR  90  88.742   8.998  -1.418
  689   HG21  THR  90          HG21      THR  90  92.199   8.290  -1.998
  690   HG22  THR  90          HG22      THR  90  92.470   7.941  -0.287
  691   HG23  THR  90          HG23      THR  90  92.055   9.575  -0.798
  692    H    VAL  91           HN       VAL  91  92.042   5.001  -1.258
  693    HA   VAL  91           HA       VAL  91  92.273   4.622   1.685
  694    HB   VAL  91           HB       VAL  91  92.390   2.479  -0.451
  695   HG11  VAL  91          HG11      VAL  91  92.739   2.422   2.551
  696   HG12  VAL  91          HG12      VAL  91  93.913   1.943   1.323
  697   HG13  VAL  91          HG13      VAL  91  92.455   0.981   1.573
  698   HG21  VAL  91          HG21      VAL  91  90.348   3.044   1.725
  699   HG22  VAL  91          HG22      VAL  91  90.327   1.646   0.650
  700   HG23  VAL  91          HG23      VAL  91  90.096   3.268  -0.005
  701    H    ARG  92           HN       ARG  92  94.206   5.374   2.246
  702    HA   ARG  92           HA       ARG  92  96.426   5.446   0.408
  703    HB2  ARG  92           HB2      ARG  92  96.143   6.208   3.313
  704    HB3  ARG  92           HB1      ARG  92  97.629   6.416   2.387
  705    HG2  ARG  92           HG2      ARG  92  96.439   7.838   0.770
  706    HG3  ARG  92           HG1      ARG  92  94.935   7.608   1.661
  707    HD2  ARG  92           HD2      ARG  92  97.436   8.815   2.870
  708    HD3  ARG  92           HD1      ARG  92  96.120   9.768   2.188
  709    HE   ARG  92           HE       ARG  92  94.997   8.011   4.053
  710   HH11  ARG  92          HH21      ARG  92  95.574  11.202   3.762
  711   HH12  ARG  92          HH22      ARG  92  95.956  11.529   5.418
  712   HH21  ARG  92          HH11      ARG  92  96.217   8.182   6.285
  713   HH22  ARG  92          HH12      ARG  92  96.319   9.815   6.852
  714    H    GLY  93           HN       GLY  93  98.618   4.657   1.159
  715    HA2  GLY  93           HA2      GLY  93  98.484   2.134   2.687
  716    HA3  GLY  93           HA1      GLY  93  99.158   2.116   1.059
  717    H    GLY  94           HN       GLY  94 101.275   1.630   1.564
  718    HA2  GLY  94           HA2      GLY  94 102.885   3.806   2.597
  719    HA3  GLY  94           HA1      GLY  94 102.874   2.376   3.626
  720    H    LEU  95           HN       LEU  95 104.130   3.821   0.786
  721    HA   LEU  95           HA       LEU  95 105.300   1.295  -0.188
  722    HB2  LEU  95           HB2      LEU  95 104.985   4.052  -1.362
  723    HB3  LEU  95           HB1      LEU  95 106.126   2.898  -2.055
  724    HG   LEU  95           HG       LEU  95 104.278   1.246  -2.286
  725   HD11  LEU  95          HD11      LEU  95 101.923   2.279  -2.111
  726   HD12  LEU  95          HD12      LEU  95 102.685   3.544  -1.146
  727   HD13  LEU  95          HD13      LEU  95 102.728   1.870  -0.597
  728   HD21  LEU  95          HD21      LEU  95 104.866   2.750  -4.164
  729   HD22  LEU  95          HD22      LEU  95 103.712   3.941  -3.567
  730   HD23  LEU  95          HD23      LEU  95 103.142   2.378  -4.157
  731    H    GLU  96           HN       GLU  96 106.137   3.720   1.963
  732    HA   GLU  96           HA       GLU  96 108.979   3.787   1.275
  733    HB2  GLU  96           HB2      GLU  96 109.173   5.326   3.175
  734    HB3  GLU  96           HB1      GLU  96 107.882   5.832   2.085
  735    HG2  GLU  96           HG2      GLU  96 106.244   4.652   3.579
  736    HG3  GLU  96           HG1      GLU  96 107.564   4.345   4.707
  737    H    HIS  97           HN       HIS  97 110.530   2.573   2.195
  738    HA   HIS  97           HA       HIS  97 110.122   1.258   4.762
  739    HB2  HIS  97           HB2      HIS  97 109.107  -0.274   3.013
  740    HB3  HIS  97           HB1      HIS  97 110.728  -0.455   2.345
  741    HD1  HIS  97           HD1      HIS  97 112.386  -1.944   3.632
  742    HD2  HIS  97           HD2      HIS  97 108.785  -1.392   5.666
  743    HE1  HIS  97           HE1      HIS  97 112.405  -3.562   5.580
  744    H    HIS  98           HN       HIS  98 111.982   3.032   2.890
  745    HA   HIS  98           HA       HIS  98 114.540   1.700   3.569
  746    HB2  HIS  98           HB2      HIS  98 114.305   2.253   1.211
  747    HB3  HIS  98           HB1      HIS  98 113.927   3.930   1.616
  748    HD1  HIS  98           HD1      HIS  98 116.762   1.420   2.052
  749    HD2  HIS  98           HD2      HIS  98 116.166   5.547   1.907
  750    HE1  HIS  98           HE1      HIS  98 119.059   2.481   2.150
  751    H    HIS  99           HN       HIS  99 115.063   2.307   5.606
  752    HA   HIS  99           HA       HIS  99 115.645   5.135   6.071
  753    HB2  HIS  99           HB2      HIS  99 113.898   3.572   7.994
  754    HB3  HIS  99           HB1      HIS  99 114.444   5.234   8.188
  755    HD1  HIS  99           HD1      HIS  99 113.714   6.785   5.922
  756    HD2  HIS  99           HD2      HIS  99 111.377   3.485   6.929
  757    HE1  HIS  99           HE1      HIS  99 111.475   7.130   4.795
  758    H    HIS 100           HN       HIS 100 116.847   5.416   8.154
  759    HA   HIS 100           HA       HIS 100 118.873   3.371   8.381
  760    HB2  HIS 100           HB2      HIS 100 118.441   6.019   9.783
  761    HB3  HIS 100           HB1      HIS 100 119.827   4.970  10.091
  762    HD1  HIS 100           HD1      HIS 100 121.315   4.377   7.908
  763    HD2  HIS 100           HD2      HIS 100 118.719   7.614   7.510
  764    HE1  HIS 100           HE1      HIS 100 122.083   5.658   5.867
  765    H    HIS 101           HN       HIS 101 118.426   4.742  11.426
  766    HA   HIS 101           HA       HIS 101 117.908   2.269  12.671
  767    HB2  HIS 101           HB2      HIS 101 117.446   3.686  14.704
  768    HB3  HIS 101           HB1      HIS 101 118.986   4.027  13.913
  769    HD1  HIS 101           HD1      HIS 101 115.808   5.591  14.892
  770    HD2  HIS 101           HD2      HIS 101 118.905   6.446  12.236
  771    HE1  HIS 101           HE1      HIS 101 115.548   8.027  14.251
  772    H    HIS 102           HN       HIS 102 116.060   1.167  12.942
  773    HA   HIS 102           HA       HIS 102 113.578   2.151  11.905
  774    HB2  HIS 102           HB2      HIS 102 112.637   0.028  12.706
  775    HB3  HIS 102           HB1      HIS 102 114.153  -0.244  11.847
  776    HD1  HIS 102           HD1      HIS 102 116.340  -0.438  13.472
  777    HD2  HIS 102           HD2      HIS 102 112.627  -1.011  15.274
  778    HE1  HIS 102           HE1      HIS 102 116.790  -1.579  15.688
  Start of MODEL    3
    1    H1   THR   1           HT1      THR   1  54.541  -0.175  -1.140
    2    H2   THR   1           HT2      THR   1  56.231  -0.344  -1.123
    3    H3   THR   1           HT3      THR   1  55.308  -1.131  -2.311
    4    HA   THR   1           HA       THR   1  56.525   1.313  -2.535
    5    HB   THR   1           HB       THR   1  54.203   0.384  -4.229
    6    HG1  THR   1           HG1      THR   1  55.452  -1.185  -5.035
    7   HG21  THR   1          HG21      THR   1  56.883   1.642  -4.895
    8   HG22  THR   1          HG22      THR   1  55.360   2.523  -4.768
    9   HG23  THR   1          HG23      THR   1  55.576   1.311  -6.032
   10    H    ALA   2           HN       ALA   2  55.884   2.896  -1.071
   11    HA   ALA   2           HA       ALA   2  53.243   4.115  -1.595
   12    HB1  ALA   2           HB1      ALA   2  54.453   3.606   1.132
   13    HB2  ALA   2           HB2      ALA   2  52.984   2.879   0.486
   14    HB3  ALA   2           HB3      ALA   2  53.034   4.609   0.834
   15    H    LYS   3           HN       LYS   3  56.614   4.415  -0.640
   16    HA   LYS   3           HA       LYS   3  56.842   7.013  -1.739
   17    HB2  LYS   3           HB2      LYS   3  55.658   7.616   0.386
   18    HB3  LYS   3           HB1      LYS   3  57.003   6.911   1.285
   19    HG2  LYS   3           HG2      LYS   3  58.564   8.478   0.180
   20    HG3  LYS   3           HG1      LYS   3  57.222   9.179  -0.715
   21    HD2  LYS   3           HD2      LYS   3  56.170   9.865   1.412
   22    HD3  LYS   3           HD1      LYS   3  57.527   9.175   2.298
   23    HE2  LYS   3           HE2      LYS   3  59.070  10.707   1.105
   24    HE3  LYS   3           HE1      LYS   3  57.694  11.416   0.261
   25    HZ1  LYS   3           HZ1      LYS   3  57.081  12.568   2.057
   26    HZ2  LYS   3           HZ2      LYS   3  58.674  12.310   2.589
   27    HZ3  LYS   3           HZ3      LYS   3  57.419  11.299   3.132
   28    H    ASN   4           HN       ASN   4  58.906   7.070  -2.465
   29    HA   ASN   4           HA       ASN   4  61.028   5.864  -0.815
   30    HB2  ASN   4           HB2      ASN   4  62.007   4.914  -2.912
   31    HB3  ASN   4           HB1      ASN   4  60.484   4.171  -2.441
   32   HD21  ASN   4          HD21      ASN   4  60.896   3.779  -5.056
   33   HD22  ASN   4          HD22      ASN   4  60.040   4.880  -6.023
   34    H    THR   5           HN       THR   5  62.209   7.703  -0.285
   35    HA   THR   5           HA       THR   5  63.300   9.195  -2.544
   36    HB   THR   5           HB       THR   5  61.714  10.543  -0.360
   37    HG1  THR   5           HG1      THR   5  60.303  10.960  -1.995
   38   HG21  THR   5          HG21      THR   5  63.511  12.003  -0.856
   39   HG22  THR   5          HG22      THR   5  62.218  12.558  -1.919
   40   HG23  THR   5          HG23      THR   5  63.519  11.558  -2.563
   41    H    VAL   6           HN       VAL   6  65.401   9.170  -2.201
   42    HA   VAL   6           HA       VAL   6  66.629   8.711   0.298
   43    HB   VAL   6           HB       VAL   6  67.757   9.804  -2.287
   44   HG11  VAL   6          HG11      VAL   6  70.007   9.278  -1.199
   45   HG12  VAL   6          HG12      VAL   6  69.153   9.193   0.340
   46   HG13  VAL   6          HG13      VAL   6  69.194  10.706  -0.563
   47   HG21  VAL   6          HG21      VAL   6  67.011   7.365  -2.045
   48   HG22  VAL   6          HG22      VAL   6  68.323   7.178  -0.889
   49   HG23  VAL   6          HG23      VAL   6  68.675   7.619  -2.558
   50    H    VAL   7           HN       VAL   7  67.299   9.978   1.862
   51    HA   VAL   7           HA       VAL   7  66.684  12.852   1.752
   52    HB   VAL   7           HB       VAL   7  67.529  11.120   4.099
   53   HG11  VAL   7          HG11      VAL   7  66.298  13.890   3.958
   54   HG12  VAL   7          HG12      VAL   7  67.980  13.543   4.364
   55   HG13  VAL   7          HG13      VAL   7  66.684  13.008   5.435
   56   HG21  VAL   7          HG21      VAL   7  64.786  12.089   3.240
   57   HG22  VAL   7          HG22      VAL   7  65.142  11.176   4.708
   58   HG23  VAL   7          HG23      VAL   7  65.359  10.425   3.123
   59    H    ARG   8           HN       ARG   8  69.284  10.530   2.060
   60    HA   ARG   8           HA       ARG   8  71.258  12.606   1.463
   61    HB2  ARG   8           HB2      ARG   8  71.613  12.690   3.767
   62    HB3  ARG   8           HB1      ARG   8  71.174  11.000   3.999
   63    HG2  ARG   8           HG2      ARG   8  73.266  10.218   3.157
   64    HG3  ARG   8           HG1      ARG   8  73.676  11.791   2.469
   65    HD2  ARG   8           HD2      ARG   8  73.685  12.716   4.823
   66    HD3  ARG   8           HD1      ARG   8  73.462  11.071   5.414
   67    HE   ARG   8           HE       ARG   8  75.704  11.064   3.730
   68   HH11  ARG   8          HH21      ARG   8  75.940  13.761   5.228
   69   HH12  ARG   8          HH22      ARG   8  76.953  13.306   6.554
   70   HH21  ARG   8          HH11      ARG   8  76.453   9.909   6.140
   71   HH22  ARG   8          HH12      ARG   8  77.232  11.143   7.077
   72    H    GLY   9           HN       GLY   9  72.727  11.865   0.037
   73    HA2  GLY   9           HA2      GLY   9  72.574   9.108  -0.833
   74    HA3  GLY   9           HA1      GLY   9  73.523  10.398  -1.572
   75    H    LEU  10           HN       LEU  10  75.159   8.572  -1.566
   76    HA   LEU  10           HA       LEU  10  76.307   7.776   0.919
   77    HB2  LEU  10           HB2      LEU  10  77.394   7.692  -1.905
   78    HB3  LEU  10           HB1      LEU  10  78.162   6.933  -0.513
   79    HG   LEU  10           HG       LEU  10  75.271   6.350  -1.114
   80   HD11  LEU  10          HD11      LEU  10  76.089   5.728  -3.217
   81   HD12  LEU  10          HD12      LEU  10  76.337   4.232  -2.319
   82   HD13  LEU  10          HD13      LEU  10  77.692   5.328  -2.599
   83   HD21  LEU  10          HD21      LEU  10  75.993   4.121  -0.120
   84   HD22  LEU  10          HD22      LEU  10  76.083   5.487   0.984
   85   HD23  LEU  10          HD23      LEU  10  77.550   4.863   0.233
   86    H    GLU  11           HN       GLU  11  78.693   8.238   1.356
   87    HA   GLU  11           HA       GLU  11  79.353  11.069   0.784
   88    HB2  GLU  11           HB2      GLU  11  78.294  10.891   3.029
   89    HB3  GLU  11           HB1      GLU  11  79.521   9.717   3.492
   90    HG2  GLU  11           HG2      GLU  11  81.283  11.351   3.156
   91    HG3  GLU  11           HG1      GLU  11  80.119  12.533   2.555
   92    H    ASN  12           HN       ASN  12  81.536  11.520   0.628
   93    HA   ASN  12           HA       ASN  12  83.297   9.505  -0.218
   94    HB2  ASN  12           HB2      ASN  12  85.097  11.214   0.166
   95    HB3  ASN  12           HB1      ASN  12  83.741  11.827  -0.779
   96   HD21  ASN  12          HD21      ASN  12  82.909  13.792  -0.037
   97   HD22  ASN  12          HD22      ASN  12  83.061  14.373   1.551
   98    H    VAL  13           HN       VAL  13  84.978   8.421   0.809
   99    HA   VAL  13           HA       VAL  13  85.023   8.535   3.788
  100    HB   VAL  13           HB       VAL  13  84.949   6.057   2.065
  101   HG11  VAL  13          HG11      VAL  13  85.573   6.510   4.974
  102   HG12  VAL  13          HG12      VAL  13  86.340   5.410   3.828
  103   HG13  VAL  13          HG13      VAL  13  84.750   5.030   4.484
  104   HG21  VAL  13          HG21      VAL  13  82.761   7.037   2.318
  105   HG22  VAL  13          HG22      VAL  13  83.007   7.269   4.044
  106   HG23  VAL  13          HG23      VAL  13  82.854   5.641   3.384
  107    H    GLU  14           HN       GLU  14  87.016   8.687   4.626
  108    HA   GLU  14           HA       GLU  14  89.347   7.916   2.946
  109    HB2  GLU  14           HB2      GLU  14  89.048  10.370   3.067
  110    HB3  GLU  14           HB1      GLU  14  89.120  10.279   4.824
  111    HG2  GLU  14           HG2      GLU  14  91.397   9.411   4.723
  112    HG3  GLU  14           HG1      GLU  14  91.328   9.371   2.957
  113    H    ALA  15           HN       ALA  15  90.705   6.537   3.878
  114    HA   ALA  15           HA       ALA  15  91.161   6.515   6.732
  115    HB1  ALA  15           HB1      ALA  15  89.123   5.183   6.671
  116    HB2  ALA  15           HB2      ALA  15  90.493   4.124   7.002
  117    HB3  ALA  15           HB3      ALA  15  89.785   4.173   5.388
  118    H    LEU  16           HN       LEU  16  93.046   5.374   7.282
  119    HA   LEU  16           HA       LEU  16  94.881   4.986   5.096
  120    HB2  LEU  16           HB2      LEU  16  96.442   4.258   6.956
  121    HB3  LEU  16           HB1      LEU  16  95.832   5.908   7.066
  122    HG   LEU  16           HG       LEU  16  94.133   3.854   8.423
  123   HD11  LEU  16          HD11      LEU  16  96.874   4.586   9.485
  124   HD12  LEU  16          HD12      LEU  16  96.333   2.978   9.006
  125   HD13  LEU  16          HD13      LEU  16  95.616   3.767  10.411
  126   HD21  LEU  16          HD21      LEU  16  95.286   6.434   9.522
  127   HD22  LEU  16          HD22      LEU  16  93.826   5.593  10.037
  128   HD23  LEU  16          HD23      LEU  16  93.867   6.415   8.479
  129    H    GLU  17           HN       GLU  17  96.166   3.023   4.867
  130    HA   GLU  17           HA       GLU  17  94.705   0.766   4.248
  131    HB2  GLU  17           HB2      GLU  17  97.006   1.285   3.478
  132    HB3  GLU  17           HB1      GLU  17  97.609   0.858   5.077
  133    HG2  GLU  17           HG2      GLU  17  95.924  -1.083   3.493
  134    HG3  GLU  17           HG1      GLU  17  97.660  -0.960   3.223
  135    H    GLY  18           HN       GLY  18  93.981  -0.969   5.287
  136    HA2  GLY  18           HA2      GLY  18  93.700  -2.591   6.899
  137    HA3  GLY  18           HA1      GLY  18  95.041  -1.893   7.798
  138    H    GLY  19           HN       GLY  19  92.471   0.204   6.798
  139    HA2  GLY  19           HA2      GLY  19  91.657   0.577   9.605
  140    HA3  GLY  19           HA1      GLY  19  91.363   1.692   8.277
  141    H    GLU  20           HN       GLU  20  89.143   1.816   8.819
  142    HA   GLU  20           HA       GLU  20  87.567  -0.470   7.801
  143    HB2  GLU  20           HB2      GLU  20  87.515  -0.558  10.282
  144    HB3  GLU  20           HB1      GLU  20  86.873   1.086  10.312
  145    HG2  GLU  20           HG2      GLU  20  84.895   0.379   9.060
  146    HG3  GLU  20           HG1      GLU  20  85.551  -1.247   8.885
  147    H    ALA  21           HN       ALA  21  85.411   0.166   7.044
  148    HA   ALA  21           HA       ALA  21  85.125   3.074   6.546
  149    HB1  ALA  21           HB1      ALA  21  84.283   1.637   4.184
  150    HB2  ALA  21           HB2      ALA  21  85.926   1.163   4.592
  151    HB3  ALA  21           HB3      ALA  21  85.546   2.856   4.334
  152    H    LEU  22           HN       LEU  22  83.107   3.852   6.522
  153    HA   LEU  22           HA       LEU  22  80.837   1.972   6.589
  154    HB2  LEU  22           HB2      LEU  22  81.207   4.259   8.539
  155    HB3  LEU  22           HB1      LEU  22  79.859   3.127   8.482
  156    HG   LEU  22           HG       LEU  22  81.855   1.321   8.701
  157   HD11  LEU  22          HD11      LEU  22  83.626   2.109  10.174
  158   HD12  LEU  22          HD12      LEU  22  82.919   3.724  10.224
  159   HD13  LEU  22          HD13      LEU  22  83.617   3.114   8.730
  160   HD21  LEU  22          HD21      LEU  22  80.688   2.930  10.995
  161   HD22  LEU  22          HD22      LEU  22  81.469   1.357  11.160
  162   HD23  LEU  22          HD23      LEU  22  79.971   1.505  10.243
  163    H    PHE  23           HN       PHE  23  79.164   2.596   5.377
  164    HA   PHE  23           HA       PHE  23  79.136   5.375   4.326
  165    HB2  PHE  23           HB2      PHE  23  78.420   2.713   3.098
  166    HB3  PHE  23           HB1      PHE  23  77.768   4.214   2.449
  167    HD1  PHE  23           HD1      PHE  23  79.303   5.979   1.574
  168    HD2  PHE  23           HD2      PHE  23  80.737   2.115   2.789
  169    HE1  PHE  23           HE1      PHE  23  81.423   6.380   0.356
  170    HE2  PHE  23           HE2      PHE  23  82.856   2.525   1.572
  171    HZ   PHE  23           HZ       PHE  23  83.195   4.654   0.355
  172    H    GLU  24           HN       GLU  24  77.643   6.477   5.502
  173    HA   GLU  24           HA       GLU  24  75.162   5.103   6.323
  174    HB2  GLU  24           HB2      GLU  24  76.373   7.768   7.088
  175    HB3  GLU  24           HB1      GLU  24  74.783   7.228   7.627
  176    HG2  GLU  24           HG2      GLU  24  75.738   5.322   8.750
  177    HG3  GLU  24           HG1      GLU  24  77.330   5.650   8.061
  178    H    CYS  25           HN       CYS  25  73.740   5.066   4.734
  179    HA   CYS  25           HA       CYS  25  73.109   7.605   3.325
  180    HB2  CYS  25           HB2      CYS  25  73.995   5.630   1.956
  181    HB3  CYS  25           HB1      CYS  25  72.478   4.823   2.330
  182    HG   CYS  25           HG       CYS  25  71.290   6.303   0.729
  183    H    GLN  26           HN       GLN  26  71.279   8.480   4.189
  184    HA   GLN  26           HA       GLN  26  69.292   6.781   5.495
  185    HB2  GLN  26           HB2      GLN  26  69.367   9.778   5.053
  186    HB3  GLN  26           HB1      GLN  26  68.102   8.928   5.937
  187    HG2  GLN  26           HG2      GLN  26  69.802   8.050   7.514
  188    HG3  GLN  26           HG1      GLN  26  71.052   8.929   6.641
  189   HE21  GLN  26          HE21      GLN  26  71.642  10.626   7.993
  190   HE22  GLN  26          HE22      GLN  26  70.552  11.681   8.752
  191    H    LEU  27           HN       LEU  27  67.588   5.949   4.504
  192    HA   LEU  27           HA       LEU  27  66.697   7.127   1.933
  193    HB2  LEU  27           HB2      LEU  27  68.022   4.920   1.863
  194    HB3  LEU  27           HB1      LEU  27  66.606   4.185   2.601
  195    HG   LEU  27           HG       LEU  27  66.486   5.811   0.044
  196   HD11  LEU  27          HD11      LEU  27  67.885   4.029  -0.567
  197   HD12  LEU  27          HD12      LEU  27  66.279   3.448  -1.002
  198   HD13  LEU  27          HD13      LEU  27  67.050   2.881   0.481
  199   HD21  LEU  27          HD21      LEU  27  64.280   5.656   0.683
  200   HD22  LEU  27          HD22      LEU  27  64.529   4.204   1.646
  201   HD23  LEU  27          HD23      LEU  27  64.415   4.091  -0.107
  202    H    SER  28           HN       SER  28  64.539   7.573   1.784
  203    HA   SER  28           HA       SER  28  62.843   6.989   4.101
  204    HB2  SER  28           HB2      SER  28  62.045   8.500   1.614
  205    HB3  SER  28           HB1      SER  28  61.339   8.604   3.223
  206    HG   SER  28           HG       SER  28  62.917   9.877   3.835
  207    H    GLN  29           HN       GLN  29  62.230   4.868   3.995
  208    HA   GLN  29           HA       GLN  29  60.097   4.099   2.370
  209    HB2  GLN  29           HB2      GLN  29  62.339   3.916   0.872
  210    HB3  GLN  29           HB1      GLN  29  62.393   2.331   1.624
  211    HG2  GLN  29           HG2      GLN  29  60.230   3.524  -0.112
  212    HG3  GLN  29           HG1      GLN  29  61.164   2.066  -0.399
  213   HE21  GLN  29          HE21      GLN  29  58.115   2.750   0.153
  214   HE22  GLN  29          HE22      GLN  29  57.679   1.528   1.247
  215    HA   PRO  30           HA       PRO  30  60.554   1.857   6.327
  216    HB2  PRO  30           HB2      PRO  30  57.902   0.722   6.024
  217    HB3  PRO  30           HB1      PRO  30  58.442   1.970   7.152
  218    HG2  PRO  30           HG2      PRO  30  56.805   2.309   4.847
  219    HG3  PRO  30           HG1      PRO  30  57.430   3.563   5.923
  220    HD2  PRO  30           HD2      PRO  30  58.265   2.943   3.209
  221    HD3  PRO  30           HD1      PRO  30  58.792   4.284   4.250
  222    H    GLU  31           HN       GLU  31  59.407   0.429   3.334
  223    HA   GLU  31           HA       GLU  31  60.458  -2.216   4.165
  224    HB2  GLU  31           HB2      GLU  31  59.078  -3.114   2.295
  225    HB3  GLU  31           HB1      GLU  31  58.110  -2.351   3.557
  226    HG2  GLU  31           HG2      GLU  31  57.994  -0.286   2.213
  227    HG3  GLU  31           HG1      GLU  31  58.961  -1.056   0.954
  228    H    VAL  32           HN       VAL  32  60.786  -3.345   1.708
  229    HA   VAL  32           HA       VAL  32  61.914  -2.185  -0.422
  230    HB   VAL  32           HB       VAL  32  63.512  -0.880   0.906
  231   HG11  VAL  32          HG11      VAL  32  64.773  -1.745   2.662
  232   HG12  VAL  32          HG12      VAL  32  64.839  -3.361   1.961
  233   HG13  VAL  32          HG13      VAL  32  63.383  -2.816   2.781
  234   HG21  VAL  32          HG21      VAL  32  65.531  -1.553  -0.195
  235   HG22  VAL  32          HG22      VAL  32  64.205  -2.000  -1.267
  236   HG23  VAL  32          HG23      VAL  32  64.997  -3.232  -0.284
  237    H    ALA  33           HN       ALA  33  61.691  -4.012  -1.584
  238    HA   ALA  33           HA       ALA  33  62.568  -6.562  -0.405
  239    HB1  ALA  33           HB1      ALA  33  60.315  -6.474  -1.337
  240    HB2  ALA  33           HB2      ALA  33  61.334  -7.583  -2.252
  241    HB3  ALA  33           HB3      ALA  33  60.970  -5.983  -2.899
  242    H    ALA  34           HN       ALA  34  62.883  -4.832  -3.536
  243    HA   ALA  34           HA       ALA  34  65.362  -6.400  -4.046
  244    HB1  ALA  34           HB1      ALA  34  63.545  -6.812  -5.653
  245    HB2  ALA  34           HB2      ALA  34  64.915  -6.007  -6.425
  246    HB3  ALA  34           HB3      ALA  34  63.471  -5.084  -6.007
  247    H    HIS  35           HN       HIS  35  67.211  -5.388  -4.301
  248    HA   HIS  35           HA       HIS  35  67.398  -2.648  -5.225
  249    HB2  HIS  35           HB2      HIS  35  68.981  -2.245  -3.100
  250    HB3  HIS  35           HB1      HIS  35  67.250  -1.907  -3.029
  251    HD1  HIS  35           HD1      HIS  35  65.753  -4.045  -2.173
  252    HD2  HIS  35           HD2      HIS  35  69.800  -4.069  -1.180
  253    HE1  HIS  35           HE1      HIS  35  66.003  -5.653  -0.239
  254    H    THR  36           HN       THR  36  69.354  -2.309  -6.277
  255    HA   THR  36           HA       THR  36  71.217  -4.626  -6.315
  256    HB   THR  36           HB       THR  36  70.751  -2.481  -8.408
  257    HG1  THR  36           HG1      THR  36  70.390  -5.068  -9.089
  258   HG21  THR  36          HG21      THR  36  72.635  -4.832  -8.222
  259   HG22  THR  36          HG22      THR  36  73.034  -3.147  -8.545
  260   HG23  THR  36          HG23      THR  36  72.192  -4.102  -9.763
  261    H    TRP  37           HN       TRP  37  72.997  -4.365  -5.247
  262    HA   TRP  37           HA       TRP  37  74.209  -1.658  -5.012
  263    HB2  TRP  37           HB2      TRP  37  74.154  -4.066  -3.197
  264    HB3  TRP  37           HB1      TRP  37  75.507  -2.939  -3.107
  265    HD1  TRP  37           HD1      TRP  37  71.629  -2.661  -3.135
  266    HE1  TRP  37           HE1      TRP  37  70.962  -0.865  -1.416
  267    HE3  TRP  37           HE3      TRP  37  76.255  -1.199  -1.543
  268    HZ2  TRP  37           HZ2      TRP  37  72.210   0.934   0.395
  269    HZ3  TRP  37           HZ3      TRP  37  76.483   0.560   0.188
  270    HH2  TRP  37           HH2      TRP  37  74.467   1.629   1.155
  271    H    LEU  38           HN       LEU  38  75.959  -1.401  -6.314
  272    HA   LEU  38           HA       LEU  38  77.812  -3.664  -6.651
  273    HB2  LEU  38           HB2      LEU  38  76.544  -2.078  -8.887
  274    HB3  LEU  38           HB1      LEU  38  77.995  -3.057  -9.100
  275    HG   LEU  38           HG       LEU  38  75.318  -4.097  -8.100
  276   HD11  LEU  38          HD11      LEU  38  76.637  -4.583 -10.775
  277   HD12  LEU  38          HD12      LEU  38  75.385  -3.365 -10.512
  278   HD13  LEU  38          HD13      LEU  38  75.022  -5.071 -10.268
  279   HD21  LEU  38          HD21      LEU  38  76.587  -6.322  -8.866
  280   HD22  LEU  38          HD22      LEU  38  76.821  -5.654  -7.262
  281   HD23  LEU  38          HD23      LEU  38  78.019  -5.354  -8.510
  282    H    LEU  39           HN       LEU  39  79.548  -2.845  -5.681
  283    HA   LEU  39           HA       LEU  39  80.393  -0.079  -6.253
  284    HB2  LEU  39           HB2      LEU  39  82.237  -1.110  -4.451
  285    HB3  LEU  39           HB1      LEU  39  80.813  -0.213  -3.981
  286    HG   LEU  39           HG       LEU  39  79.571  -2.441  -3.930
  287   HD11  LEU  39          HD11      LEU  39  81.142  -4.407  -3.552
  288   HD12  LEU  39          HD12      LEU  39  82.435  -3.387  -4.148
  289   HD13  LEU  39          HD13      LEU  39  81.087  -3.805  -5.204
  290   HD21  LEU  39          HD21      LEU  39  81.842  -1.892  -2.001
  291   HD22  LEU  39          HD22      LEU  39  80.529  -3.028  -1.690
  292   HD23  LEU  39          HD23      LEU  39  80.180  -1.312  -1.877
  293    H    ASP  40           HN       ASP  40  82.935  -2.293  -5.484
  294    HA   ASP  40           HA       ASP  40  84.109  -2.072  -8.034
  295    HB2  ASP  40           HB2      ASP  40  85.540  -3.977  -7.344
  296    HB3  ASP  40           HB1      ASP  40  85.424  -2.799  -6.038
  297    H    ASP  41           HN       ASP  41  84.266  -4.087  -9.517
  298    HA   ASP  41           HA       ASP  41  81.673  -4.796 -10.305
  299    HB2  ASP  41           HB2      ASP  41  82.859  -6.425 -11.851
  300    HB3  ASP  41           HB1      ASP  41  83.325  -4.734 -11.988
  301    H    GLU  42           HN       GLU  42  81.883  -5.667  -7.582
  302    HA   GLU  42           HA       GLU  42  81.314  -8.540  -8.019
  303    HB2  GLU  42           HB2      GLU  42  83.263  -7.353  -6.077
  304    HB3  GLU  42           HB1      GLU  42  82.329  -8.748  -5.544
  305    HG2  GLU  42           HG2      GLU  42  84.449  -9.478  -6.538
  306    HG3  GLU  42           HG1      GLU  42  83.096 -10.012  -7.533
  307    HA   PRO  43           HA       PRO  43  77.552  -7.383  -5.949
  308    HB2  PRO  43           HB2      PRO  43  77.191  -9.937  -4.638
  309    HB3  PRO  43           HB1      PRO  43  76.364  -9.329  -6.076
  310    HG2  PRO  43           HG2      PRO  43  78.442 -11.319  -5.903
  311    HG3  PRO  43           HG1      PRO  43  77.509 -10.813  -7.319
  312    HD2  PRO  43           HD2      PRO  43  80.256 -10.266  -6.818
  313    HD3  PRO  43           HD1      PRO  43  79.255  -9.582  -8.112
  314    H    VAL  44           HN       VAL  44  76.994  -6.586  -3.890
  315    HA   VAL  44           HA       VAL  44  79.128  -6.652  -1.916
  316    HB   VAL  44           HB       VAL  44  76.484  -5.235  -1.622
  317   HG11  VAL  44          HG11      VAL  44  77.853  -3.684  -0.281
  318   HG12  VAL  44          HG12      VAL  44  79.295  -4.633  -0.638
  319   HG13  VAL  44          HG13      VAL  44  78.013  -5.328   0.337
  320   HG21  VAL  44          HG21      VAL  44  77.832  -3.288  -2.660
  321   HG22  VAL  44          HG22      VAL  44  77.182  -4.509  -3.747
  322   HG23  VAL  44          HG23      VAL  44  78.879  -4.544  -3.308
  323    H    ARG  45           HN       ARG  45  78.986  -8.765  -1.237
  324    HA   ARG  45           HA       ARG  45  77.157  -9.140   0.989
  325    HB2  ARG  45           HB2      ARG  45  77.408 -11.147  -1.276
  326    HB3  ARG  45           HB1      ARG  45  76.751 -11.537   0.309
  327    HG2  ARG  45           HG2      ARG  45  75.599  -9.298  -1.369
  328    HG3  ARG  45           HG1      ARG  45  75.063 -10.957  -1.559
  329    HD2  ARG  45           HD2      ARG  45  74.584 -10.999   0.921
  330    HD3  ARG  45           HD1      ARG  45  74.906  -9.273   0.956
  331    HE   ARG  45           HE       ARG  45  72.877 -10.250  -0.927
  332   HH11  ARG  45          HH11      ARG  45  73.749  -7.685   1.070
  333   HH12  ARG  45          HH12      ARG  45  72.150  -7.375   1.666
  334   HH21  ARG  45          HH21      ARG  45  70.776 -10.246   0.339
  335   HH22  ARG  45          HH22      ARG  45  70.488  -8.807   1.255
  336    H    THR  46           HN       THR  46  78.992 -11.646  -0.537
  337    HA   THR  46           HA       THR  46  80.908 -12.751   0.051
  338    HB   THR  46           HB       THR  46  82.817 -11.425   0.298
  339    HG1  THR  46           HG1      THR  46  81.309  -9.298   1.359
  340   HG21  THR  46          HG21      THR  46  80.909  -9.321  -0.695
  341   HG22  THR  46          HG22      THR  46  81.236 -10.772  -1.643
  342   HG23  THR  46          HG23      THR  46  82.549  -9.668  -1.237
  343    H    SER  47           HN       SER  47  82.334 -11.216   2.590
  344    HA   SER  47           HA       SER  47  80.711 -12.516   4.680
  345    HB2  SER  47           HB2      SER  47  82.592 -14.002   3.668
  346    HB3  SER  47           HB1      SER  47  83.684 -12.954   4.568
  347    HG   SER  47           HG       SER  47  82.348 -15.003   5.479
  348    H    GLU  48           HN       GLU  48  83.176 -12.241   6.448
  349    HA   GLU  48           HA       GLU  48  82.513  -9.881   7.729
  350    HB2  GLU  48           HB2      GLU  48  85.128 -11.391   7.656
  351    HB3  GLU  48           HB1      GLU  48  84.848 -10.016   8.719
  352    HG2  GLU  48           HG2      GLU  48  84.290 -11.837  10.084
  353    HG3  GLU  48           HG1      GLU  48  82.715 -11.335   9.476
  354    H    ASN  49           HN       ASN  49  85.095 -10.409   5.347
  355    HA   ASN  49           HA       ASN  49  86.140  -7.803   5.391
  356    HB2  ASN  49           HB2      ASN  49  87.421  -9.518   4.332
  357    HB3  ASN  49           HB1      ASN  49  86.146  -9.841   3.165
  358   HD21  ASN  49          HD21      ASN  49  88.714  -7.540   4.040
  359   HD22  ASN  49          HD22      ASN  49  88.696  -6.704   2.560
  360    H    ALA  50           HN       ALA  50  83.049  -8.593   4.552
  361    HA   ALA  50           HA       ALA  50  82.381  -6.028   3.644
  362    HB1  ALA  50           HB1      ALA  50  81.808  -7.005   1.179
  363    HB2  ALA  50           HB2      ALA  50  83.254  -7.947   1.543
  364    HB3  ALA  50           HB3      ALA  50  83.327  -6.188   1.547
  365    H    GLU  51           HN       GLU  51  80.158  -5.813   3.862
  366    HA   GLU  51           HA       GLU  51  78.270  -7.824   3.192
  367    HB2  GLU  51           HB2      GLU  51  79.248  -8.990   5.166
  368    HB3  GLU  51           HB1      GLU  51  78.849  -7.593   6.166
  369    HG2  GLU  51           HG2      GLU  51  76.469  -7.900   5.706
  370    HG3  GLU  51           HG1      GLU  51  76.827  -9.234   4.607
  371    H    VAL  52           HN       VAL  52  76.204  -6.889   3.057
  372    HA   VAL  52           HA       VAL  52  75.977  -4.123   3.880
  373    HB   VAL  52           HB       VAL  52  73.895  -5.874   2.549
  374   HG11  VAL  52          HG11      VAL  52  73.317  -3.557   3.451
  375   HG12  VAL  52          HG12      VAL  52  72.991  -3.820   1.736
  376   HG13  VAL  52          HG13      VAL  52  74.422  -2.913   2.234
  377   HG21  VAL  52          HG21      VAL  52  74.795  -5.194   0.393
  378   HG22  VAL  52          HG22      VAL  52  76.057  -5.999   1.320
  379   HG23  VAL  52          HG23      VAL  52  76.062  -4.241   1.177
  380    H    VAL  53           HN       VAL  53  74.631  -3.386   5.416
  381    HA   VAL  53           HA       VAL  53  72.821  -5.215   6.823
  382    HB   VAL  53           HB       VAL  53  74.810  -5.515   8.115
  383   HG11  VAL  53          HG11      VAL  53  76.161  -3.607   8.904
  384   HG12  VAL  53          HG12      VAL  53  75.095  -2.503   8.040
  385   HG13  VAL  53          HG13      VAL  53  76.089  -3.650   7.143
  386   HG21  VAL  53          HG21      VAL  53  72.699  -4.912   9.386
  387   HG22  VAL  53          HG22      VAL  53  73.320  -3.263   9.493
  388   HG23  VAL  53          HG23      VAL  53  74.200  -4.591  10.255
  389    H    PHE  54           HN       PHE  54  71.117  -4.114   7.857
  390    HA   PHE  54           HA       PHE  54  71.106  -1.168   7.661
  391    HB2  PHE  54           HB2      PHE  54  68.793  -1.195   6.808
  392    HB3  PHE  54           HB1      PHE  54  69.916  -1.943   5.671
  393    HD1  PHE  54           HD1      PHE  54  69.936  -4.360   5.327
  394    HD2  PHE  54           HD2      PHE  54  67.125  -2.529   8.012
  395    HE1  PHE  54           HE1      PHE  54  68.579  -6.433   5.322
  396    HE2  PHE  54           HE2      PHE  54  65.775  -4.618   8.021
  397    HZ   PHE  54           HZ       PHE  54  66.499  -6.560   6.663
  398    H    PHE  55           HN       PHE  55  68.742  -0.518   8.670
  399    HA   PHE  55           HA       PHE  55  68.060  -2.139  10.968
  400    HB2  PHE  55           HB2      PHE  55  69.273   0.603  11.403
  401    HB3  PHE  55           HB1      PHE  55  68.648  -0.482  12.646
  402    HD1  PHE  55           HD1      PHE  55  69.845  -2.561  13.228
  403    HD2  PHE  55           HD2      PHE  55  71.420   0.203  10.346
  404    HE1  PHE  55           HE1      PHE  55  72.062  -3.665  13.378
  405    HE2  PHE  55           HE2      PHE  55  73.628  -0.912  10.488
  406    HZ   PHE  55           HZ       PHE  55  73.951  -2.839  12.007
  407    H    GLU  56           HN       GLU  56  66.351  -1.003  12.295
  408    HA   GLU  56           HA       GLU  56  64.280  -0.041  12.405
  409    HB2  GLU  56           HB2      GLU  56  65.770   2.030  10.797
  410    HB3  GLU  56           HB1      GLU  56  64.130   2.279  11.381
  411    HG2  GLU  56           HG2      GLU  56  66.479   1.563  13.167
  412    HG3  GLU  56           HG1      GLU  56  65.913   3.210  12.905
  413    H    ASN  57           HN       ASN  57  64.697  -1.993  10.465
  414    HA   ASN  57           HA       ASN  57  63.618  -3.047   8.762
  415    HB2  ASN  57           HB2      ASN  57  61.602  -0.846   9.231
  416    HB3  ASN  57           HB1      ASN  57  61.347  -2.201   8.139
  417   HD21  ASN  57          HD21      ASN  57  59.643  -1.868  10.392
  418   HD22  ASN  57          HD22      ASN  57  59.952  -3.119  11.496
  419    H    GLY  58           HN       GLY  58  65.609  -1.023   8.189
  420    HA2  GLY  58           HA2      GLY  58  66.556  -0.643   6.031
  421    HA3  GLY  58           HA1      GLY  58  64.948  -0.610   5.344
  422    H    LEU  59           HN       LEU  59  64.831   1.360   8.052
  423    HA   LEU  59           HA       LEU  59  64.554   3.721   6.538
  424    HB2  LEU  59           HB2      LEU  59  63.780   3.213   8.986
  425    HB3  LEU  59           HB1      LEU  59  65.371   3.816   9.432
  426    HG   LEU  59           HG       LEU  59  64.889   5.910   8.133
  427   HD11  LEU  59          HD11      LEU  59  62.168   6.105   7.952
  428   HD12  LEU  59          HD12      LEU  59  62.395   4.408   7.538
  429   HD13  LEU  59          HD13      LEU  59  63.215   5.659   6.609
  430   HD21  LEU  59          HD21      LEU  59  63.129   5.093  10.449
  431   HD22  LEU  59          HD22      LEU  59  63.137   6.740   9.819
  432   HD23  LEU  59          HD23      LEU  59  64.612   6.045  10.489
  433    H    ARG  60           HN       ARG  60  67.321   2.096   7.667
  434    HA   ARG  60           HA       ARG  60  69.062   4.260   6.656
  435    HB2  ARG  60           HB2      ARG  60  69.302   2.795   9.281
  436    HB3  ARG  60           HB1      ARG  60  70.655   3.652   8.541
  437    HG2  ARG  60           HG2      ARG  60  69.363   5.747   8.563
  438    HG3  ARG  60           HG1      ARG  60  67.972   4.896   9.231
  439    HD2  ARG  60           HD2      ARG  60  69.215   6.051  11.013
  440    HD3  ARG  60           HD1      ARG  60  69.267   4.309  11.232
  441    HE   ARG  60           HE       ARG  60  71.557   4.336  10.744
  442   HH11  ARG  60          HH21      ARG  60  70.064   7.417  10.242
  443   HH12  ARG  60          HH22      ARG  60  71.559   8.272  10.099
  444   HH21  ARG  60          HH11      ARG  60  73.516   5.425  10.468
  445   HH22  ARG  60          HH12      ARG  60  73.524   7.137  10.199
  446    H    HIS  61           HN       HIS  61  70.985   3.530   5.676
  447    HA   HIS  61           HA       HIS  61  71.302   0.591   5.380
  448    HB2  HIS  61           HB2      HIS  61  71.415   2.700   3.208
  449    HB3  HIS  61           HB1      HIS  61  72.014   1.052   3.005
  450    HD1  HIS  61           HD1      HIS  61  68.870   3.042   3.328
  451    HD2  HIS  61           HD2      HIS  61  69.970  -0.965   3.003
  452    HE1  HIS  61           HE1      HIS  61  66.735   1.744   2.924
  453    H    LEU  62           HN       LEU  62  73.093   0.160   6.467
  454    HA   LEU  62           HA       LEU  62  75.484   1.875   6.064
  455    HB2  LEU  62           HB2      LEU  62  74.552   1.690   8.393
  456    HB3  LEU  62           HB1      LEU  62  74.928  -0.024   8.355
  457    HG   LEU  62           HG       LEU  62  77.059   2.054   7.770
  458   HD11  LEU  62          HD11      LEU  62  77.645   1.666  10.287
  459   HD12  LEU  62          HD12      LEU  62  75.958   1.178  10.437
  460   HD13  LEU  62          HD13      LEU  62  76.358   2.800   9.879
  461   HD21  LEU  62          HD21      LEU  62  78.431   0.131   8.947
  462   HD22  LEU  62          HD22      LEU  62  77.932  -0.080   7.275
  463   HD23  LEU  62          HD23      LEU  62  77.030  -0.868   8.569
  464    H    LEU  63           HN       LEU  63  77.044   1.026   4.906
  465    HA   LEU  63           HA       LEU  63  77.193  -1.924   4.549
  466    HB2  LEU  63           HB2      LEU  63  76.776  -0.937   2.431
  467    HB3  LEU  63           HB1      LEU  63  77.869   0.407   2.744
  468    HG   LEU  63           HG       LEU  63  79.808  -1.050   2.575
  469   HD11  LEU  63          HD11      LEU  63  79.311  -3.504   1.860
  470   HD12  LEU  63          HD12      LEU  63  77.715  -3.224   2.554
  471   HD13  LEU  63          HD13      LEU  63  79.155  -3.088   3.563
  472   HD21  LEU  63          HD21      LEU  63  77.761  -1.401   0.377
  473   HD22  LEU  63          HD22      LEU  63  79.413  -1.991   0.229
  474   HD23  LEU  63          HD23      LEU  63  79.111  -0.269   0.438
  475    H    LEU  64           HN       LEU  64  78.834  -2.761   5.853
  476    HA   LEU  64           HA       LEU  64  81.095  -1.003   6.470
  477    HB2  LEU  64           HB2      LEU  64  81.514  -2.392   8.314
  478    HB3  LEU  64           HB1      LEU  64  79.755  -2.323   8.208
  479    HG   LEU  64           HG       LEU  64  80.236  -4.491   6.616
  480   HD11  LEU  64          HD11      LEU  64  82.182  -4.998   8.856
  481   HD12  LEU  64          HD12      LEU  64  82.752  -4.176   7.408
  482   HD13  LEU  64          HD13      LEU  64  82.052  -5.789   7.287
  483   HD21  LEU  64          HD21      LEU  64  79.981  -4.567   9.640
  484   HD22  LEU  64          HD22      LEU  64  79.597  -5.888   8.537
  485   HD23  LEU  64          HD23      LEU  64  78.641  -4.404   8.501
  486    H    LEU  65           HN       LEU  65  83.123  -1.388   6.032
  487    HA   LEU  65           HA       LEU  65  83.897  -3.647   4.280
  488    HB2  LEU  65           HB2      LEU  65  84.613  -0.727   4.229
  489    HB3  LEU  65           HB1      LEU  65  85.795  -1.900   3.670
  490    HG   LEU  65           HG       LEU  65  84.297  -0.912   1.869
  491   HD11  LEU  65          HD11      LEU  65  83.789  -3.873   1.945
  492   HD12  LEU  65          HD12      LEU  65  85.452  -3.295   1.884
  493   HD13  LEU  65          HD13      LEU  65  84.323  -2.853   0.610
  494   HD21  LEU  65          HD21      LEU  65  82.021  -1.481   1.713
  495   HD22  LEU  65          HD22      LEU  65  82.229  -1.077   3.416
  496   HD23  LEU  65          HD23      LEU  65  82.160  -2.763   2.910
  497    H    LYS  66           HN       LYS  66  86.401  -4.059   4.591
  498    HA   LYS  66           HA       LYS  66  87.520  -3.209   7.092
  499    HB2  LYS  66           HB2      LYS  66  86.524  -6.053   6.846
  500    HB3  LYS  66           HB1      LYS  66  87.881  -5.646   7.888
  501    HG2  LYS  66           HG2      LYS  66  86.346  -3.884   8.956
  502    HG3  LYS  66           HG1      LYS  66  85.020  -4.667   8.098
  503    HD2  LYS  66           HD2      LYS  66  86.903  -6.195   9.911
  504    HD3  LYS  66           HD1      LYS  66  85.432  -5.434  10.505
  505    HE2  LYS  66           HE2      LYS  66  84.134  -6.751   8.811
  506    HE3  LYS  66           HE1      LYS  66  85.626  -7.599   8.397
  507    HZ1  LYS  66           HZ1      LYS  66  85.824  -8.259  10.740
  508    HZ2  LYS  66           HZ2      LYS  66  84.399  -8.856  10.034
  509    HZ3  LYS  66           HZ3      LYS  66  84.338  -7.517  11.075
  510    H    ASN  67           HN       ASN  67  89.629  -4.616   7.462
  511    HA   ASN  67           HA       ASN  67  91.789  -4.794   6.586
  512    HB2  ASN  67           HB2      ASN  67  90.181  -6.732   4.911
  513    HB3  ASN  67           HB1      ASN  67  91.941  -6.723   5.014
  514   HD21  ASN  67          HD21      ASN  67  89.935  -8.799   5.945
  515   HD22  ASN  67          HD22      ASN  67  90.274  -9.031   7.594
  516    H    LEU  68           HN       LEU  68  90.860  -2.521   5.618
  517    HA   LEU  68           HA       LEU  68  90.515  -2.238   2.865
  518    HB2  LEU  68           HB2      LEU  68  91.833  -0.243   4.707
  519    HB3  LEU  68           HB1      LEU  68  91.013   0.087   3.185
  520    HG   LEU  68           HG       LEU  68  89.714  -1.022   5.684
  521   HD11  LEU  68          HD11      LEU  68  88.461   1.196   5.481
  522   HD12  LEU  68          HD12      LEU  68  89.681   1.669   4.300
  523   HD13  LEU  68          HD13      LEU  68  90.152   1.315   5.962
  524   HD21  LEU  68          HD21      LEU  68  87.610  -0.443   4.198
  525   HD22  LEU  68          HD22      LEU  68  88.451  -1.966   3.930
  526   HD23  LEU  68          HD23      LEU  68  88.739  -0.602   2.854
  527    H    ARG  69           HN       ARG  69  91.837  -1.683   1.176
  528    HA   ARG  69           HA       ARG  69  94.765  -1.836   1.503
  529    HB2  ARG  69           HB2      ARG  69  93.126  -3.389  -0.535
  530    HB3  ARG  69           HB1      ARG  69  94.882  -3.311  -0.512
  531    HG2  ARG  69           HG2      ARG  69  93.344  -4.308   1.887
  532    HG3  ARG  69           HG1      ARG  69  93.723  -5.376   0.542
  533    HD2  ARG  69           HD2      ARG  69  95.741  -3.808   2.171
  534    HD3  ARG  69           HD1      ARG  69  95.438  -5.533   2.293
  535    HE   ARG  69           HE       ARG  69  96.065  -4.946  -0.385
  536   HH11  ARG  69          HH21      ARG  69  97.441  -5.475   2.745
  537   HH12  ARG  69          HH22      ARG  69  99.073  -5.532   2.171
  538   HH21  ARG  69          HH11      ARG  69  98.240  -4.824  -1.108
  539   HH22  ARG  69          HH12      ARG  69  99.518  -5.208  -0.003
  540    HA   PRO  70           HA       PRO  70  94.527   1.700  -1.182
  541    HB2  PRO  70           HB2      PRO  70  96.656   0.934  -2.993
  542    HB3  PRO  70           HB1      PRO  70  96.728   2.108  -1.670
  543    HG2  PRO  70           HG2      PRO  70  97.800  -0.581  -1.768
  544    HG3  PRO  70           HG1      PRO  70  98.039   0.659  -0.533
  545    HD2  PRO  70           HD2      PRO  70  96.508  -1.706  -0.255
  546    HD3  PRO  70           HD1      PRO  70  96.513  -0.334   0.866
  547    H    GLN  71           HN       GLN  71  95.092  -1.425  -2.722
  548    HA   GLN  71           HA       GLN  71  94.070  -0.901  -5.252
  549    HB2  GLN  71           HB2      GLN  71  95.264  -2.937  -4.806
  550    HB3  GLN  71           HB1      GLN  71  94.046  -3.460  -3.643
  551    HG2  GLN  71           HG2      GLN  71  93.800  -4.585  -5.847
  552    HG3  GLN  71           HG1      GLN  71  92.376  -3.639  -5.441
  553   HE21  GLN  71          HE21      GLN  71  94.840  -4.111  -7.778
  554   HE22  GLN  71          HE22      GLN  71  94.485  -2.770  -8.753
  555    H    ASP  72           HN       ASP  72  92.308  -2.348  -2.488
  556    HA   ASP  72           HA       ASP  72  89.877  -2.717  -3.608
  557    HB2  ASP  72           HB2      ASP  72  90.592  -3.255  -1.271
  558    HB3  ASP  72           HB1      ASP  72  90.282  -1.567  -0.854
  559    H    SER  73           HN       SER  73  91.157   0.471  -2.485
  560    HA   SER  73           HA       SER  73  88.767   1.850  -2.533
  561    HB2  SER  73           HB2      SER  73  91.585   2.684  -3.198
  562    HB3  SER  73           HB1      SER  73  90.241   3.825  -3.262
  563    HG   SER  73           HG       SER  73  91.301   3.743  -1.204
  564    H    CYS  74           HN       CYS  74  87.503   2.680  -4.015
  565    HA   CYS  74           HA       CYS  74  88.130   3.141  -6.733
  566    HB2  CYS  74           HB2      CYS  74  88.073   0.537  -6.509
  567    HB3  CYS  74           HB1      CYS  74  86.328   0.751  -6.418
  568    HG   CYS  74           HG       CYS  74  87.040   0.497  -8.951
  569    H    ARG  75           HN       ARG  75  85.476   2.311  -7.670
  570    HA   ARG  75           HA       ARG  75  83.933   4.577  -6.658
  571    HB2  ARG  75           HB2      ARG  75  84.158   4.254  -9.082
  572    HB3  ARG  75           HB1      ARG  75  83.410   2.666  -8.952
  573    HG2  ARG  75           HG2      ARG  75  81.356   3.763  -8.031
  574    HG3  ARG  75           HG1      ARG  75  82.118   5.330  -8.303
  575    HD2  ARG  75           HD2      ARG  75  81.602   3.242 -10.431
  576    HD3  ARG  75           HD1      ARG  75  80.606   4.676 -10.149
  577    HE   ARG  75           HE       ARG  75  83.252   4.608 -11.384
  578   HH11  ARG  75          HH11      ARG  75  80.459   6.217 -11.678
  579   HH12  ARG  75          HH12      ARG  75  81.076   7.827 -11.525
  580   HH21  ARG  75          HH21      ARG  75  84.207   6.794 -10.418
  581   HH22  ARG  75          HH22      ARG  75  83.207   8.156 -10.803
  582    H    VAL  76           HN       VAL  76  81.982   4.471  -5.675
  583    HA   VAL  76           HA       VAL  76  80.919   1.799  -4.979
  584    HB   VAL  76           HB       VAL  76  81.013   4.318  -3.304
  585   HG11  VAL  76          HG11      VAL  76  78.885   3.324  -2.860
  586   HG12  VAL  76          HG12      VAL  76  79.943   2.782  -1.559
  587   HG13  VAL  76          HG13      VAL  76  79.558   1.694  -2.896
  588   HG21  VAL  76          HG21      VAL  76  82.301   2.881  -1.749
  589   HG22  VAL  76          HG22      VAL  76  83.104   3.025  -3.313
  590   HG23  VAL  76          HG23      VAL  76  82.211   1.556  -2.913
  591    H    THR  77           HN       THR  77  78.859   1.470  -5.630
  592    HA   THR  77           HA       THR  77  77.163   3.822  -6.227
  593    HB   THR  77           HB       THR  77  77.488   1.437  -8.063
  594    HG1  THR  77           HG1      THR  77  78.442   3.085  -9.411
  595   HG21  THR  77          HG21      THR  77  75.243   2.449  -8.119
  596   HG22  THR  77          HG22      THR  77  76.125   2.818  -9.602
  597   HG23  THR  77          HG23      THR  77  75.963   4.042  -8.346
  598    H    PHE  78           HN       PHE  78  75.156   3.687  -5.538
  599    HA   PHE  78           HA       PHE  78  74.029   1.056  -4.756
  600    HB2  PHE  78           HB2      PHE  78  74.569   2.070  -2.694
  601    HB3  PHE  78           HB1      PHE  78  74.136   3.674  -3.263
  602    HD1  PHE  78           HD2      PHE  78  72.144   0.501  -3.555
  603    HD2  PHE  78           HD1      PHE  78  72.523   4.362  -1.709
  604    HE1  PHE  78           HE2      PHE  78  69.920   0.223  -2.505
  605    HE2  PHE  78           HE1      PHE  78  70.303   4.084  -0.663
  606    HZ   PHE  78           HZ       PHE  78  68.995   2.020  -1.059
  607    H    LEU  79           HN       LEU  79  72.351   0.663  -6.071
  608    HA   LEU  79           HA       LEU  79  70.818   2.935  -7.205
  609    HB2  LEU  79           HB2      LEU  79  72.153   1.347  -8.698
  610    HB3  LEU  79           HB1      LEU  79  70.968   0.116  -8.278
  611    HG   LEU  79           HG       LEU  79  70.144   2.805  -9.408
  612   HD11  LEU  79          HD11      LEU  79  69.997   1.644 -11.615
  613   HD12  LEU  79          HD12      LEU  79  70.838   0.266 -10.900
  614   HD13  LEU  79          HD13      LEU  79  71.654   1.824 -11.035
  615   HD21  LEU  79          HD21      LEU  79  68.219   1.767  -8.575
  616   HD22  LEU  79          HD22      LEU  79  68.793   0.147  -8.965
  617   HD23  LEU  79          HD23      LEU  79  68.222   1.213 -10.244
  618    H    ALA  80           HN       ALA  80  69.246   3.131  -5.582
  619    HA   ALA  80           HA       ALA  80  67.402   0.821  -5.263
  620    HB1  ALA  80           HB1      ALA  80  66.589   2.368  -3.272
  621    HB2  ALA  80           HB2      ALA  80  68.205   3.059  -3.430
  622    HB3  ALA  80           HB3      ALA  80  68.010   1.346  -3.084
  623    H    GLY  81           HN       GLY  81  66.018   1.091  -6.948
  624    HA2  GLY  81           HA2      GLY  81  64.408   2.046  -8.308
  625    HA3  GLY  81           HA1      GLY  81  63.837   2.758  -6.801
  626    H    ASP  82           HN       ASP  82  63.118   4.522  -8.181
  627    HA   ASP  82           HA       ASP  82  64.469   6.167  -9.866
  628    HB2  ASP  82           HB2      ASP  82  62.433   6.851  -7.744
  629    HB3  ASP  82           HB1      ASP  82  62.944   7.980  -8.999
  630    H    MET  83           HN       MET  83  65.616   5.590  -6.796
  631    HA   MET  83           HA       MET  83  66.936   8.249  -6.637
  632    HB2  MET  83           HB2      MET  83  66.607   6.238  -4.406
  633    HB3  MET  83           HB1      MET  83  67.199   7.892  -4.296
  634    HG2  MET  83           HG2      MET  83  65.067   8.500  -3.821
  635    HG3  MET  83           HG1      MET  83  64.682   8.186  -5.500
  636    HE1  MET  83           HE1      MET  83  64.707   7.169  -1.934
  637    HE2  MET  83           HE2      MET  83  65.503   5.664  -2.374
  638    HE3  MET  83           HE3      MET  83  63.848   5.636  -1.797
  639    H    VAL  84           HN       VAL  84  69.077   8.292  -7.035
  640    HA   VAL  84           HA       VAL  84  70.654   5.818  -6.614
  641    HB   VAL  84           HB       VAL  84  71.894   6.252  -8.653
  642   HG11  VAL  84          HG11      VAL  84  69.709   4.979  -8.743
  643   HG12  VAL  84          HG12      VAL  84  70.182   5.717 -10.272
  644   HG13  VAL  84          HG13      VAL  84  68.934   6.466  -9.277
  645   HG21  VAL  84          HG21      VAL  84  70.145   8.714  -8.762
  646   HG22  VAL  84          HG22      VAL  84  70.950   8.081 -10.198
  647   HG23  VAL  84          HG23      VAL  84  71.905   8.622  -8.816
  648    H    THR  85           HN       THR  85  72.404   6.099  -5.430
  649    HA   THR  85           HA       THR  85  73.506   8.832  -5.015
  650    HB   THR  85           HB       THR  85  73.771   8.403  -2.693
  651    HG1  THR  85           HG1      THR  85  73.051   5.736  -2.806
  652   HG21  THR  85          HG21      THR  85  71.604   7.297  -1.925
  653   HG22  THR  85          HG22      THR  85  71.225   7.029  -3.616
  654   HG23  THR  85          HG23      THR  85  71.411   8.672  -3.008
  655    H    SER  86           HN       SER  86  75.799   8.984  -5.021
  656    HA   SER  86           HA       SER  86  77.383   6.528  -5.119
  657    HB2  SER  86           HB2      SER  86  77.393   8.445  -7.454
  658    HB3  SER  86           HB1      SER  86  78.397   7.010  -7.273
  659    HG   SER  86           HG       SER  86  75.670   6.653  -6.953
  660    H    ALA  87           HN       ALA  87  79.280   6.807  -4.116
  661    HA   ALA  87           HA       ALA  87  80.558   9.474  -4.065
  662    HB1  ALA  87           HB1      ALA  87  79.278   9.339  -2.007
  663    HB2  ALA  87           HB2      ALA  87  80.988   9.142  -1.623
  664    HB3  ALA  87           HB3      ALA  87  79.931   7.738  -1.675
  665    H    PHE  88           HN       PHE  88  82.829   9.411  -3.757
  666    HA   PHE  88           HA       PHE  88  84.057   7.005  -4.735
  667    HB2  PHE  88           HB2      PHE  88  85.239   9.631  -3.822
  668    HB3  PHE  88           HB1      PHE  88  86.163   8.319  -4.553
  669    HD1  PHE  88           HD1      PHE  88  85.488   7.508  -6.905
  670    HD2  PHE  88           HD2      PHE  88  84.048  11.160  -5.156
  671    HE1  PHE  88           HE1      PHE  88  84.837   8.331  -9.153
  672    HE2  PHE  88           HE2      PHE  88  83.392  11.980  -7.395
  673    HZ   PHE  88           HZ       PHE  88  83.783  10.564  -9.402
  674    H    LEU  89           HN       LEU  89  86.041   6.189  -3.783
  675    HA   LEU  89           HA       LEU  89  86.010   6.064  -0.833
  676    HB2  LEU  89           HB2      LEU  89  85.060   3.973  -1.696
  677    HB3  LEU  89           HB1      LEU  89  86.423   3.780  -2.797
  678    HG   LEU  89           HG       LEU  89  87.963   3.571  -0.899
  679   HD11  LEU  89          HD11      LEU  89  87.147   4.900   0.834
  680   HD12  LEU  89          HD12      LEU  89  86.731   3.294   1.422
  681   HD13  LEU  89          HD13      LEU  89  85.499   4.299   0.663
  682   HD21  LEU  89          HD21      LEU  89  87.372   1.385  -0.287
  683   HD22  LEU  89          HD22      LEU  89  86.472   1.607  -1.783
  684   HD23  LEU  89          HD23      LEU  89  85.650   1.757  -0.228
  685    H    THR  90           HN       THR  90  88.028   6.331   0.068
  686    HA   THR  90           HA       THR  90  90.372   6.220  -1.729
  687    HB   THR  90           HB       THR  90  89.685   8.533   0.099
  688    HG1  THR  90           HG1      THR  90  90.158   9.410  -2.230
  689   HG21  THR  90          HG21      THR  90  92.146   7.826  -1.497
  690   HG22  THR  90          HG22      THR  90  92.040   8.207   0.222
  691   HG23  THR  90          HG23      THR  90  91.797   9.473  -0.978
  692    H    VAL  91           HN       VAL  91  91.918   5.041  -0.908
  693    HA   VAL  91           HA       VAL  91  92.425   5.074   1.980
  694    HB   VAL  91           HB       VAL  91  92.174   2.510   0.384
  695   HG11  VAL  91          HG11      VAL  91  92.406   2.802   3.383
  696   HG12  VAL  91          HG12      VAL  91  93.841   2.688   2.366
  697   HG13  VAL  91          HG13      VAL  91  92.682   1.373   2.391
  698   HG21  VAL  91          HG21      VAL  91  89.975   3.520   0.774
  699   HG22  VAL  91          HG22      VAL  91  90.356   3.744   2.478
  700   HG23  VAL  91          HG23      VAL  91  90.172   2.118   1.823
  701    H    ARG  92           HN       ARG  92  94.584   5.250   2.370
  702    HA   ARG  92           HA       ARG  92  96.428   4.614   0.128
  703    HB2  ARG  92           HB2      ARG  92  97.763   6.532   0.813
  704    HB3  ARG  92           HB1      ARG  92  96.112   7.043   0.463
  705    HG2  ARG  92           HG2      ARG  92  95.587   6.938   2.891
  706    HG3  ARG  92           HG1      ARG  92  97.269   6.520   3.223
  707    HD2  ARG  92           HD2      ARG  92  97.982   8.645   2.141
  708    HD3  ARG  92           HD1      ARG  92  96.292   9.060   1.888
  709    HE   ARG  92           HE       ARG  92  96.089   9.532   4.178
  710   HH11  ARG  92          HH21      ARG  92  97.525   7.249   5.407
  711   HH12  ARG  92          HH22      ARG  92  98.940   7.994   6.073
  712   HH21  ARG  92          HH11      ARG  92  98.682  10.838   4.106
  713   HH22  ARG  92          HH12      ARG  92  99.610  10.019   5.317
  714    H    GLY  93           HN       GLY  93  98.614   4.106   0.725
  715    HA2  GLY  93           HA2      GLY  93  99.241   3.477   3.478
  716    HA3  GLY  93           HA1      GLY  93  99.007   2.061   2.462
  717    H    GLY  94           HN       GLY  94 101.116   4.645   3.313
  718    HA2  GLY  94           HA2      GLY  94 102.906   4.327   1.061
  719    HA3  GLY  94           HA1      GLY  94 103.177   5.332   2.479
  720    H    LEU  95           HN       LEU  95 104.410   2.854   0.849
  721    HA   LEU  95           HA       LEU  95 105.374   1.319   3.191
  722    HB2  LEU  95           HB2      LEU  95 104.943   0.677   0.284
  723    HB3  LEU  95           HB1      LEU  95 106.165  -0.223   1.177
  724    HG   LEU  95           HG       LEU  95 104.379  -0.744   2.902
  725   HD11  LEU  95          HD11      LEU  95 102.649   0.505   0.749
  726   HD12  LEU  95          HD12      LEU  95 102.763   0.984   2.437
  727   HD13  LEU  95          HD13      LEU  95 102.016  -0.550   2.011
  728   HD21  LEU  95          HD21      LEU  95 104.136  -1.650   0.027
  729   HD22  LEU  95          HD22      LEU  95 103.206  -2.389   1.333
  730   HD23  LEU  95          HD23      LEU  95 104.967  -2.459   1.358
  731    H    GLU  96           HN       GLU  96 107.434   1.541   3.790
  732    HA   GLU  96           HA       GLU  96 109.133   3.408   2.413
  733    HB2  GLU  96           HB2      GLU  96 109.113   3.254   4.862
  734    HB3  GLU  96           HB1      GLU  96 109.687   1.590   4.769
  735    HG2  GLU  96           HG2      GLU  96 111.770   2.307   3.745
  736    HG3  GLU  96           HG1      GLU  96 111.196   3.972   3.652
  737    H    HIS  97           HN       HIS  97 110.450   0.389   3.654
  738    HA   HIS  97           HA       HIS  97 110.961  -0.685   1.006
  739    HB2  HIS  97           HB2      HIS  97 112.735   1.084   1.368
  740    HB3  HIS  97           HB1      HIS  97 113.323   0.112   2.721
  741    HD1  HIS  97           HD1      HIS  97 112.214  -0.854  -0.807
  742    HD2  HIS  97           HD2      HIS  97 115.498  -1.299   1.720
  743    HE1  HIS  97           HE1      HIS  97 113.885  -2.286  -2.055
  744    H    HIS  98           HN       HIS  98 111.750  -0.758   4.462
  745    HA   HIS  98           HA       HIS  98 111.789  -3.729   4.378
  746    HB2  HIS  98           HB2      HIS  98 113.013  -1.792   6.367
  747    HB3  HIS  98           HB1      HIS  98 113.038  -3.549   6.523
  748    HD1  HIS  98           HD1      HIS  98 115.692  -2.014   6.285
  749    HD2  HIS  98           HD2      HIS  98 113.658  -3.571   2.999
  750    HE1  HIS  98           HE1      HIS  98 117.407  -2.280   4.441
  751    H    HIS  99           HN       HIS  99 110.386  -4.856   5.643
  752    HA   HIS  99           HA       HIS  99 108.421  -3.290   7.228
  753    HB2  HIS  99           HB2      HIS  99 108.103  -5.989   5.883
  754    HB3  HIS  99           HB1      HIS  99 106.870  -5.164   6.840
  755    HD1  HIS  99           HD1      HIS  99 108.645  -5.020   3.543
  756    HD2  HIS  99           HD2      HIS  99 105.692  -2.889   5.574
  757    HE1  HIS  99           HE1      HIS  99 107.593  -3.459   1.849
  758    H    HIS 100           HN       HIS 100 108.840  -3.413   9.314
  759    HA   HIS 100           HA       HIS 100 110.136  -5.820  10.420
  760    HB2  HIS 100           HB2      HIS 100 109.667  -3.074  11.609
  761    HB3  HIS 100           HB1      HIS 100 110.438  -4.413  12.456
  762    HD1  HIS 100           HD1      HIS 100 112.545  -5.507  10.866
  763    HD2  HIS 100           HD2      HIS 100 111.537  -1.491  10.390
  764    HE1  HIS 100           HE1      HIS 100 114.548  -4.384   9.788
  765    H    HIS 101           HN       HIS 101 108.486  -7.287  10.575
  766    HA   HIS 101           HA       HIS 101 106.624  -8.330  11.423
  767    HB2  HIS 101           HB2      HIS 101 107.366  -6.490  13.705
  768    HB3  HIS 101           HB1      HIS 101 106.083  -7.695  13.829
  769    HD1  HIS 101           HD1      HIS 101 109.386  -7.420  14.817
  770    HD2  HIS 101           HD2      HIS 101 107.413 -10.321  12.569
  771    HE1  HIS 101           HE1      HIS 101 110.831  -9.496  14.907
  772    H    HIS 102           HN       HIS 102 104.752  -8.010  10.437
  773    HA   HIS 102           HA       HIS 102 102.929  -5.990  11.344
  774    HB2  HIS 102           HB2      HIS 102 102.738  -4.742   9.287
  775    HB3  HIS 102           HB1      HIS 102 104.432  -4.728   9.774
  776    HD1  HIS 102           HD1      HIS 102 105.776  -6.991   8.708
  777    HD2  HIS 102           HD2      HIS 102 102.495  -5.466   6.646
  778    HE1  HIS 102           HE1      HIS 102 106.003  -7.789   6.315
  Start of MODEL    4
    1    H1   THR   1           HT1      THR   1  56.878  -0.890  -2.242
    2    H2   THR   1           HT2      THR   1  55.467  -1.120  -3.162
    3    H3   THR   1           HT3      THR   1  55.401  -0.260  -1.697
    4    HA   THR   1           HA       THR   1  57.134   1.272  -2.861
    5    HB   THR   1           HB       THR   1  56.584   1.424  -5.300
    6    HG1  THR   1           HG1      THR   1  55.024   0.245  -6.018
    7   HG21  THR   1          HG21      THR   1  57.597  -1.311  -4.493
    8   HG22  THR   1          HG22      THR   1  58.561   0.160  -4.377
    9   HG23  THR   1          HG23      THR   1  58.007  -0.407  -5.952
   10    H    ALA   2           HN       ALA   2  56.258   3.143  -2.314
   11    HA   ALA   2           HA       ALA   2  53.690   3.996  -3.247
   12    HB1  ALA   2           HB1      ALA   2  52.819   2.619  -1.494
   13    HB2  ALA   2           HB2      ALA   2  52.734   4.285  -0.924
   14    HB3  ALA   2           HB3      ALA   2  54.014   3.221  -0.345
   15    H    LYS   3           HN       LYS   3  56.496   4.416  -1.194
   16    HA   LYS   3           HA       LYS   3  56.662   7.209  -1.913
   17    HB2  LYS   3           HB2      LYS   3  55.197   6.720   0.358
   18    HB3  LYS   3           HB1      LYS   3  56.811   6.881   1.050
   19    HG2  LYS   3           HG2      LYS   3  55.541   8.918  -0.821
   20    HG3  LYS   3           HG1      LYS   3  55.531   9.047   0.935
   21    HD2  LYS   3           HD2      LYS   3  58.009   9.033   0.941
   22    HD3  LYS   3           HD1      LYS   3  58.005   8.944  -0.822
   23    HE2  LYS   3           HE2      LYS   3  56.760  11.083  -0.922
   24    HE3  LYS   3           HE1      LYS   3  56.791  11.175   0.836
   25    HZ1  LYS   3           HZ1      LYS   3  58.654  12.342   0.465
   26    HZ2  LYS   3           HZ2      LYS   3  58.901  11.684  -1.081
   27    HZ3  LYS   3           HZ3      LYS   3  59.375  10.818   0.300
   28    H    ASN   4           HN       ASN   4  58.751   7.350  -2.496
   29    HA   ASN   4           HA       ASN   4  60.797   6.278  -0.678
   30    HB2  ASN   4           HB2      ASN   4  60.393   4.558  -2.372
   31    HB3  ASN   4           HB1      ASN   4  60.688   5.742  -3.645
   32   HD21  ASN   4          HD21      ASN   4  62.580   4.579  -4.424
   33   HD22  ASN   4          HD22      ASN   4  64.021   4.538  -3.533
   34    H    THR   5           HN       THR   5  62.006   8.065  -0.133
   35    HA   THR   5           HA       THR   5  62.948   9.772  -2.337
   36    HB   THR   5           HB       THR   5  61.740  10.914   0.194
   37    HG1  THR   5           HG1      THR   5  60.358  11.736  -1.774
   38   HG21  THR   5          HG21      THR   5  62.011  13.051  -0.980
   39   HG22  THR   5          HG22      THR   5  62.693  12.215  -2.374
   40   HG23  THR   5          HG23      THR   5  63.568  12.235  -0.844
   41    H    VAL   6           HN       VAL   6  65.062   9.573  -2.177
   42    HA   VAL   6           HA       VAL   6  66.452   8.834   0.175
   43    HB   VAL   6           HB       VAL   6  67.369   8.484  -2.091
   44   HG11  VAL   6          HG11      VAL   6  66.619  10.815  -2.872
   45   HG12  VAL   6          HG12      VAL   6  68.211  10.272  -3.405
   46   HG13  VAL   6          HG13      VAL   6  68.072  11.416  -2.070
   47   HG21  VAL   6          HG21      VAL   6  68.803   8.547  -0.033
   48   HG22  VAL   6          HG22      VAL   6  69.143  10.241  -0.385
   49   HG23  VAL   6          HG23      VAL   6  69.663   8.986  -1.509
   50    H    VAL   7           HN       VAL   7  67.278   9.929   1.787
   51    HA   VAL   7           HA       VAL   7  66.893  12.832   1.920
   52    HB   VAL   7           HB       VAL   7  67.922  10.880   4.000
   53   HG11  VAL   7          HG11      VAL   7  68.646  13.067   4.586
   54   HG12  VAL   7          HG12      VAL   7  67.173  12.810   5.521
   55   HG13  VAL   7          HG13      VAL   7  67.129  13.795   4.059
   56   HG21  VAL   7          HG21      VAL   7  65.164  12.111   3.766
   57   HG22  VAL   7          HG22      VAL   7  65.693  10.884   4.917
   58   HG23  VAL   7          HG23      VAL   7  65.554  10.483   3.203
   59    H    ARG   8           HN       ARG   8  69.344  10.324   2.115
   60    HA   ARG   8           HA       ARG   8  71.349  12.053   0.973
   61    HB2  ARG   8           HB2      ARG   8  71.569  12.584   3.368
   62    HB3  ARG   8           HB1      ARG   8  71.760  10.865   3.724
   63    HG2  ARG   8           HG2      ARG   8  73.797  10.744   2.436
   64    HG3  ARG   8           HG1      ARG   8  73.557  12.377   1.811
   65    HD2  ARG   8           HD2      ARG   8  73.898  11.718   4.749
   66    HD3  ARG   8           HD1      ARG   8  75.199  12.282   3.702
   67    HE   ARG   8           HE       ARG   8  73.147  14.118   3.402
   68   HH11  ARG   8          HH11      ARG   8  75.259  12.948   5.880
   69   HH12  ARG   8          HH12      ARG   8  75.117  14.371   6.859
   70   HH21  ARG   8          HH21      ARG   8  72.880  15.939   4.720
   71   HH22  ARG   8          HH22      ARG   8  73.760  16.062   6.207
   72    H    GLY   9           HN       GLY   9  73.078  10.882   0.159
   73    HA2  GLY   9           HA2      GLY   9  72.673   7.940   0.041
   74    HA3  GLY   9           HA1      GLY   9  73.317   8.910  -1.278
   75    H    LEU  10           HN       LEU  10  75.202   7.842  -1.467
   76    HA   LEU  10           HA       LEU  10  76.953   7.269   0.719
   77    HB2  LEU  10           HB2      LEU  10  77.626   7.422  -2.227
   78    HB3  LEU  10           HB1      LEU  10  78.453   6.481  -0.985
   79    HG   LEU  10           HG       LEU  10  75.595   6.066  -1.916
   80   HD11  LEU  10          HD11      LEU  10  78.205   4.785  -2.616
   81   HD12  LEU  10          HD12      LEU  10  76.781   5.066  -3.614
   82   HD13  LEU  10          HD13      LEU  10  76.799   3.731  -2.466
   83   HD21  LEU  10          HD21      LEU  10  77.262   4.788   0.253
   84   HD22  LEU  10          HD22      LEU  10  75.906   3.937  -0.485
   85   HD23  LEU  10          HD23      LEU  10  75.634   5.454   0.362
   86    H    GLU  11           HN       GLU  11  78.960   8.225   1.170
   87    HA   GLU  11           HA       GLU  11  79.447  10.920   0.048
   88    HB2  GLU  11           HB2      GLU  11  79.473  10.132   2.973
   89    HB3  GLU  11           HB1      GLU  11  80.154  11.633   2.348
   90    HG2  GLU  11           HG2      GLU  11  77.940  12.244   1.427
   91    HG3  GLU  11           HG1      GLU  11  77.266  10.755   2.090
   92    H    ASN  12           HN       ASN  12  81.650  11.536   0.065
   93    HA   ASN  12           HA       ASN  12  83.487   9.560  -0.574
   94    HB2  ASN  12           HB2      ASN  12  85.233  11.250  -0.238
   95    HB3  ASN  12           HB1      ASN  12  83.847  11.943  -1.076
   96   HD21  ASN  12          HD21      ASN  12  85.268  13.887   0.052
   97   HD22  ASN  12          HD22      ASN  12  84.624  14.406   1.535
   98    H    VAL  13           HN       VAL  13  85.020   8.402   0.535
   99    HA   VAL  13           HA       VAL  13  85.098   8.665   3.493
  100    HB   VAL  13           HB       VAL  13  84.780   6.061   1.970
  101   HG11  VAL  13          HG11      VAL  13  86.349   5.652   3.727
  102   HG12  VAL  13          HG12      VAL  13  84.786   5.116   4.346
  103   HG13  VAL  13          HG13      VAL  13  85.449   6.667   4.856
  104   HG21  VAL  13          HG21      VAL  13  83.044   7.576   3.933
  105   HG22  VAL  13          HG22      VAL  13  82.798   5.867   3.569
  106   HG23  VAL  13          HG23      VAL  13  82.638   7.073   2.297
  107    H    GLU  14           HN       GLU  14  87.137   8.657   4.267
  108    HA   GLU  14           HA       GLU  14  89.313   7.665   2.501
  109    HB2  GLU  14           HB2      GLU  14  89.205  10.131   2.424
  110    HB3  GLU  14           HB1      GLU  14  89.359  10.188   4.179
  111    HG2  GLU  14           HG2      GLU  14  91.555   9.082   4.037
  112    HG3  GLU  14           HG1      GLU  14  91.396   8.978   2.284
  113    H    ALA  15           HN       ALA  15  90.602   6.241   3.428
  114    HA   ALA  15           HA       ALA  15  91.121   6.326   6.317
  115    HB1  ALA  15           HB1      ALA  15  89.178   4.826   6.091
  116    HB2  ALA  15           HB2      ALA  15  90.618   3.928   6.569
  117    HB3  ALA  15           HB3      ALA  15  90.057   3.866   4.899
  118    H    LEU  16           HN       LEU  16  93.162   5.564   6.841
  119    HA   LEU  16           HA       LEU  16  94.978   5.169   4.622
  120    HB2  LEU  16           HB2      LEU  16  96.596   4.725   6.695
  121    HB3  LEU  16           HB1      LEU  16  96.091   6.356   6.268
  122    HG   LEU  16           HG       LEU  16  94.338   4.797   8.146
  123   HD11  LEU  16          HD11      LEU  16  96.994   6.058   8.883
  124   HD12  LEU  16          HD12      LEU  16  96.492   4.387   9.143
  125   HD13  LEU  16          HD13      LEU  16  95.733   5.690  10.059
  126   HD21  LEU  16          HD21      LEU  16  93.697   6.938   8.906
  127   HD22  LEU  16          HD22      LEU  16  93.964   7.206   7.185
  128   HD23  LEU  16          HD23      LEU  16  95.191   7.690   8.353
  129    H    GLU  17           HN       GLU  17  96.642   3.362   4.875
  130    HA   GLU  17           HA       GLU  17  95.537   0.942   4.291
  131    HB2  GLU  17           HB2      GLU  17  97.880   1.405   3.892
  132    HB3  GLU  17           HB1      GLU  17  98.200   1.481   5.620
  133    HG2  GLU  17           HG2      GLU  17  98.925  -0.679   4.752
  134    HG3  GLU  17           HG1      GLU  17  97.545  -0.932   5.808
  135    H    GLY  18           HN       GLY  18  94.876  -0.844   5.288
  136    HA2  GLY  18           HA2      GLY  18  94.087  -2.230   6.923
  137    HA3  GLY  18           HA1      GLY  18  95.342  -1.566   7.969
  138    H    GLY  19           HN       GLY  19  92.983   0.530   6.507
  139    HA2  GLY  19           HA2      GLY  19  91.980   1.257   9.159
  140    HA3  GLY  19           HA1      GLY  19  91.707   2.133   7.659
  141    H    GLU  20           HN       GLU  20  89.524   2.075   8.862
  142    HA   GLU  20           HA       GLU  20  87.919  -0.213   7.845
  143    HB2  GLU  20           HB2      GLU  20  88.112  -0.192  10.337
  144    HB3  GLU  20           HB1      GLU  20  87.418   1.429  10.343
  145    HG2  GLU  20           HG2      GLU  20  85.356   0.627   9.380
  146    HG3  GLU  20           HG1      GLU  20  86.041  -0.977   9.130
  147    H    ALA  21           HN       ALA  21  85.695   0.412   7.182
  148    HA   ALA  21           HA       ALA  21  85.291   3.322   6.864
  149    HB1  ALA  21           HB1      ALA  21  86.316   2.956   4.793
  150    HB2  ALA  21           HB2      ALA  21  84.603   2.801   4.409
  151    HB3  ALA  21           HB3      ALA  21  85.594   1.363   4.606
  152    H    LEU  22           HN       LEU  22  83.203   3.986   6.796
  153    HA   LEU  22           HA       LEU  22  81.109   1.900   6.845
  154    HB2  LEU  22           HB2      LEU  22  81.264   4.335   8.639
  155    HB3  LEU  22           HB1      LEU  22  79.930   3.187   8.578
  156    HG   LEU  22           HG       LEU  22  81.901   1.421   9.029
  157   HD11  LEU  22          HD11      LEU  22  83.535   2.394  10.642
  158   HD12  LEU  22          HD12      LEU  22  82.923   3.999  10.254
  159   HD13  LEU  22          HD13      LEU  22  83.732   3.043   9.019
  160   HD21  LEU  22          HD21      LEU  22  81.433   1.662  11.476
  161   HD22  LEU  22          HD22      LEU  22  79.969   1.695  10.495
  162   HD23  LEU  22          HD23      LEU  22  80.634   3.196  11.138
  163    H    PHE  23           HN       PHE  23  79.673   2.173   5.301
  164    HA   PHE  23           HA       PHE  23  79.112   4.907   4.287
  165    HB2  PHE  23           HB2      PHE  23  79.110   2.194   2.974
  166    HB3  PHE  23           HB1      PHE  23  78.135   3.500   2.309
  167    HD1  PHE  23           HD2      PHE  23  79.171   5.508   1.392
  168    HD2  PHE  23           HD1      PHE  23  81.542   2.250   2.874
  169    HE1  PHE  23           HE2      PHE  23  81.147   6.414   0.207
  170    HE2  PHE  23           HE1      PHE  23  83.523   3.155   1.687
  171    HZ   PHE  23           HZ       PHE  23  83.321   5.237   0.350
  172    H    GLU  24           HN       GLU  24  77.383   5.535   5.527
  173    HA   GLU  24           HA       GLU  24  75.062   3.686   5.654
  174    HB2  GLU  24           HB2      GLU  24  74.373   4.858   7.659
  175    HB3  GLU  24           HB1      GLU  24  76.036   4.307   7.849
  176    HG2  GLU  24           HG2      GLU  24  76.850   6.550   7.225
  177    HG3  GLU  24           HG1      GLU  24  75.181   7.109   7.081
  178    H    CYS  25           HN       CYS  25  73.121   4.353   4.951
  179    HA   CYS  25           HA       CYS  25  72.925   7.064   3.742
  180    HB2  CYS  25           HB2      CYS  25  71.458   4.714   2.581
  181    HB3  CYS  25           HB1      CYS  25  72.041   6.181   1.788
  182    HG   CYS  25           HG       CYS  25  74.271   4.337   2.833
  183    H    GLN  26           HN       GLN  26  70.956   8.071   3.841
  184    HA   GLN  26           HA       GLN  26  68.988   6.923   5.739
  185    HB2  GLN  26           HB2      GLN  26  69.686   9.787   5.043
  186    HB3  GLN  26           HB1      GLN  26  68.306   9.327   6.046
  187    HG2  GLN  26           HG2      GLN  26  69.797   8.224   7.639
  188    HG3  GLN  26           HG1      GLN  26  71.188   8.580   6.617
  189   HE21  GLN  26          HE21      GLN  26  70.562   9.519   9.435
  190   HE22  GLN  26          HE22      GLN  26  70.639  11.213   9.349
  191    H    LEU  27           HN       LEU  27  67.639   5.851   4.437
  192    HA   LEU  27           HA       LEU  27  66.449   7.239   2.106
  193    HB2  LEU  27           HB2      LEU  27  67.428   5.362   1.206
  194    HB3  LEU  27           HB1      LEU  27  67.289   4.436   2.688
  195    HG   LEU  27           HG       LEU  27  64.832   5.167   1.082
  196   HD11  LEU  27          HD11      LEU  27  66.200   4.080  -0.547
  197   HD12  LEU  27          HD12      LEU  27  65.100   2.841   0.057
  198   HD13  LEU  27          HD13      LEU  27  66.771   2.888   0.624
  199   HD21  LEU  27          HD21      LEU  27  65.414   3.486   3.443
  200   HD22  LEU  27          HD22      LEU  27  64.545   2.599   2.196
  201   HD23  LEU  27          HD23      LEU  27  63.878   4.085   2.842
  202    H    SER  28           HN       SER  28  64.319   7.677   2.095
  203    HA   SER  28           HA       SER  28  62.685   6.768   4.378
  204    HB2  SER  28           HB2      SER  28  62.833   9.232   3.741
  205    HB3  SER  28           HB1      SER  28  61.907   8.816   2.301
  206    HG   SER  28           HG       SER  28  60.522   9.430   3.988
  207    H    GLN  29           HN       GLN  29  62.180   4.743   3.766
  208    HA   GLN  29           HA       GLN  29  59.940   4.304   2.096
  209    HB2  GLN  29           HB2      GLN  29  61.861   4.506   0.416
  210    HB3  GLN  29           HB1      GLN  29  62.479   3.005   1.103
  211    HG2  GLN  29           HG2      GLN  29  60.222   1.967   0.655
  212    HG3  GLN  29           HG1      GLN  29  59.787   3.434  -0.218
  213   HE21  GLN  29          HE21      GLN  29  63.085   2.954  -0.666
  214   HE22  GLN  29          HE22      GLN  29  63.025   2.115  -2.141
  215    HA   PRO  30           HA       PRO  30  60.510   1.292   5.474
  216    HB2  PRO  30           HB2      PRO  30  57.828   0.265   5.075
  217    HB3  PRO  30           HB1      PRO  30  58.440   1.248   6.411
  218    HG2  PRO  30           HG2      PRO  30  56.690   2.067   4.335
  219    HG3  PRO  30           HG1      PRO  30  57.416   3.078   5.590
  220    HD2  PRO  30           HD2      PRO  30  58.085   2.955   2.747
  221    HD3  PRO  30           HD1      PRO  30  58.651   4.105   3.976
  222    H    GLU  31           HN       GLU  31  59.419   0.612   2.205
  223    HA   GLU  31           HA       GLU  31  60.879  -1.918   2.289
  224    HB2  GLU  31           HB2      GLU  31  58.997  -3.214   1.361
  225    HB3  GLU  31           HB1      GLU  31  58.640  -2.607   2.977
  226    HG2  GLU  31           HG2      GLU  31  57.354  -0.749   2.021
  227    HG3  GLU  31           HG1      GLU  31  57.743  -1.295   0.392
  228    H    VAL  32           HN       VAL  32  61.770  -2.485   0.360
  229    HA   VAL  32           HA       VAL  32  61.028  -0.864  -2.016
  230    HB   VAL  32           HB       VAL  32  63.170  -0.089  -1.197
  231   HG11  VAL  32          HG11      VAL  32  65.003  -1.491  -0.696
  232   HG12  VAL  32          HG12      VAL  32  64.286  -2.876  -1.518
  233   HG13  VAL  32          HG13      VAL  32  63.629  -2.327   0.023
  234   HG21  VAL  32          HG21      VAL  32  64.422  -0.352  -3.202
  235   HG22  VAL  32          HG22      VAL  32  62.736  -0.511  -3.687
  236   HG23  VAL  32          HG23      VAL  32  63.741  -1.951  -3.509
  237    H    ALA  33           HN       ALA  33  60.183  -2.076  -3.533
  238    HA   ALA  33           HA       ALA  33  60.460  -4.945  -3.541
  239    HB1  ALA  33           HB1      ALA  33  58.752  -4.944  -5.173
  240    HB2  ALA  33           HB2      ALA  33  59.111  -3.291  -5.669
  241    HB3  ALA  33           HB3      ALA  33  58.352  -3.596  -4.108
  242    H    ALA  34           HN       ALA  34  62.485  -2.600  -4.668
  243    HA   ALA  34           HA       ALA  34  63.833  -4.452  -6.426
  244    HB1  ALA  34           HB1      ALA  34  62.004  -3.354  -7.837
  245    HB2  ALA  34           HB2      ALA  34  63.649  -3.247  -8.460
  246    HB3  ALA  34           HB3      ALA  34  62.921  -1.855  -7.661
  247    H    HIS  35           HN       HIS  35  65.841  -4.226  -5.624
  248    HA   HIS  35           HA       HIS  35  67.071  -1.559  -5.639
  249    HB2  HIS  35           HB2      HIS  35  68.055  -2.071  -3.336
  250    HB3  HIS  35           HB1      HIS  35  66.357  -1.608  -3.380
  251    HD1  HIS  35           HD1      HIS  35  64.714  -3.897  -3.733
  252    HD2  HIS  35           HD2      HIS  35  68.392  -4.356  -1.824
  253    HE1  HIS  35           HE1      HIS  35  64.572  -6.053  -2.418
  254    H    THR  36           HN       THR  36  69.122  -1.591  -6.296
  255    HA   THR  36           HA       THR  36  70.630  -4.145  -6.270
  256    HB   THR  36           HB       THR  36  70.526  -2.126  -8.525
  257    HG1  THR  36           HG1      THR  36  69.868  -4.406  -9.428
  258   HG21  THR  36          HG21      THR  36  72.134  -4.642  -8.059
  259   HG22  THR  36          HG22      THR  36  72.735  -3.022  -8.415
  260   HG23  THR  36          HG23      THR  36  71.903  -3.948  -9.665
  261    H    TRP  37           HN       TRP  37  72.545  -3.933  -5.263
  262    HA   TRP  37           HA       TRP  37  73.778  -1.233  -5.100
  263    HB2  TRP  37           HB2      TRP  37  72.699  -2.236  -2.980
  264    HB3  TRP  37           HB1      TRP  37  74.046  -3.364  -2.982
  265    HD1  TRP  37           HD1      TRP  37  75.890  -0.724  -4.259
  266    HE1  TRP  37           HE1      TRP  37  76.875   0.848  -2.486
  267    HE3  TRP  37           HE3      TRP  37  72.973  -1.968  -0.249
  268    HZ2  TRP  37           HZ2      TRP  37  76.493   1.504   0.264
  269    HZ3  TRP  37           HZ3      TRP  37  73.314  -0.851   1.934
  270    HH2  TRP  37           HH2      TRP  37  75.066   0.883   2.198
  271    H    LEU  38           HN       LEU  38  75.399  -1.317  -6.504
  272    HA   LEU  38           HA       LEU  38  77.398  -3.499  -6.232
  273    HB2  LEU  38           HB2      LEU  38  76.542  -2.132  -8.791
  274    HB3  LEU  38           HB1      LEU  38  77.858  -3.294  -8.645
  275    HG   LEU  38           HG       LEU  38  74.968  -3.876  -7.925
  276   HD11  LEU  38          HD11      LEU  38  74.832  -5.077 -10.019
  277   HD12  LEU  38          HD12      LEU  38  76.544  -4.806 -10.346
  278   HD13  LEU  38          HD13      LEU  38  75.414  -3.451 -10.380
  279   HD21  LEU  38          HD21      LEU  38  76.253  -5.431  -6.706
  280   HD22  LEU  38          HD22      LEU  38  77.530  -5.484  -7.922
  281   HD23  LEU  38          HD23      LEU  38  75.993  -6.297  -8.218
  282    H    LEU  39           HN       LEU  39  79.161  -2.700  -5.397
  283    HA   LEU  39           HA       LEU  39  79.940   0.088  -5.895
  284    HB2  LEU  39           HB2      LEU  39  81.813  -0.904  -4.133
  285    HB3  LEU  39           HB1      LEU  39  80.319  -0.148  -3.629
  286    HG   LEU  39           HG       LEU  39  79.235  -2.413  -3.619
  287   HD11  LEU  39          HD11      LEU  39  80.823  -3.522  -5.165
  288   HD12  LEU  39          HD12      LEU  39  80.730  -4.380  -3.627
  289   HD13  LEU  39          HD13      LEU  39  82.106  -3.334  -3.972
  290   HD21  LEU  39          HD21      LEU  39  80.001  -1.445  -1.538
  291   HD22  LEU  39          HD22      LEU  39  81.659  -1.948  -1.864
  292   HD23  LEU  39          HD23      LEU  39  80.422  -3.159  -1.538
  293    H    ASP  40           HN       ASP  40  82.579  -1.990  -5.196
  294    HA   ASP  40           HA       ASP  40  83.726  -1.598  -7.729
  295    HB2  ASP  40           HB2      ASP  40  84.955  -2.350  -5.617
  296    HB3  ASP  40           HB1      ASP  40  84.265  -3.952  -5.875
  297    H    ASP  41           HN       ASP  41  84.007  -3.450  -9.286
  298    HA   ASP  41           HA       ASP  41  81.502  -4.376 -10.125
  299    HB2  ASP  41           HB2      ASP  41  84.312  -5.022 -11.001
  300    HB3  ASP  41           HB1      ASP  41  82.907  -5.764 -11.764
  301    H    GLU  42           HN       GLU  42  81.932  -5.327  -7.456
  302    HA   GLU  42           HA       GLU  42  81.636  -8.231  -7.965
  303    HB2  GLU  42           HB2      GLU  42  83.209  -6.924  -5.719
  304    HB3  GLU  42           HB1      GLU  42  82.673  -8.603  -5.656
  305    HG2  GLU  42           HG2      GLU  42  84.871  -8.732  -6.521
  306    HG3  GLU  42           HG1      GLU  42  83.851  -8.864  -7.949
  307    HA   PRO  43           HA       PRO  43  77.739  -7.348  -5.999
  308    HB2  PRO  43           HB2      PRO  43  77.546  -9.944  -4.710
  309    HB3  PRO  43           HB1      PRO  43  76.667  -9.360  -6.129
  310    HG2  PRO  43           HG2      PRO  43  78.861 -11.222  -6.026
  311    HG3  PRO  43           HG1      PRO  43  77.906 -10.722  -7.426
  312    HD2  PRO  43           HD2      PRO  43  80.617 -10.037  -6.887
  313    HD3  PRO  43           HD1      PRO  43  79.591  -9.366  -8.170
  314    H    VAL  44           HN       VAL  44  77.253  -6.424  -4.027
  315    HA   VAL  44           HA       VAL  44  79.356  -6.540  -2.026
  316    HB   VAL  44           HB       VAL  44  78.475  -4.403  -2.731
  317   HG11  VAL  44          HG11      VAL  44  76.263  -3.771  -2.629
  318   HG12  VAL  44          HG12      VAL  44  75.897  -4.827  -1.272
  319   HG13  VAL  44          HG13      VAL  44  76.029  -5.496  -2.895
  320   HG21  VAL  44          HG21      VAL  44  77.660  -4.940   0.127
  321   HG22  VAL  44          HG22      VAL  44  78.302  -3.450  -0.552
  322   HG23  VAL  44          HG23      VAL  44  79.341  -4.864  -0.388
  323    H    ARG  45           HN       ARG  45  79.116  -8.570  -1.234
  324    HA   ARG  45           HA       ARG  45  77.243  -8.793   0.990
  325    HB2  ARG  45           HB2      ARG  45  77.500 -10.835  -1.235
  326    HB3  ARG  45           HB1      ARG  45  76.993 -11.296   0.386
  327    HG2  ARG  45           HG2      ARG  45  75.579  -9.039  -1.021
  328    HG3  ARG  45           HG1      ARG  45  75.178 -10.704  -1.431
  329    HD2  ARG  45           HD2      ARG  45  75.141  -9.612   1.399
  330    HD3  ARG  45           HD1      ARG  45  73.721  -9.735   0.371
  331    HE   ARG  45           HE       ARG  45  74.762 -12.266   0.355
  332   HH11  ARG  45          HH21      ARG  45  72.519 -10.612   2.108
  333   HH12  ARG  45          HH22      ARG  45  72.656 -11.534   3.567
  334   HH21  ARG  45          HH11      ARG  45  75.517 -13.212   2.557
  335   HH22  ARG  45          HH12      ARG  45  74.355 -12.999   3.825
  336    H    THR  46           HN       THR  46  79.074 -11.379  -0.350
  337    HA   THR  46           HA       THR  46  81.022 -12.444   0.254
  338    HB   THR  46           HB       THR  46  82.910 -11.105   0.498
  339    HG1  THR  46           HG1      THR  46  81.450  -8.979   1.608
  340   HG21  THR  46          HG21      THR  46  81.117  -8.876  -0.399
  341   HG22  THR  46          HG22      THR  46  81.211 -10.337  -1.383
  342   HG23  THR  46          HG23      THR  46  82.667  -9.399  -1.055
  343    H    SER  47           HN       SER  47  82.482 -11.031   2.776
  344    HA   SER  47           HA       SER  47  80.861 -12.413   4.847
  345    HB2  SER  47           HB2      SER  47  82.629 -13.748   5.467
  346    HB3  SER  47           HB1      SER  47  83.053 -13.533   3.771
  347    HG   SER  47           HG       SER  47  84.796 -13.069   5.202
  348    H    GLU  48           HN       GLU  48  83.009 -11.988   6.810
  349    HA   GLU  48           HA       GLU  48  82.170  -9.595   7.944
  350    HB2  GLU  48           HB2      GLU  48  84.800 -11.056   8.277
  351    HB3  GLU  48           HB1      GLU  48  84.270  -9.730   9.311
  352    HG2  GLU  48           HG2      GLU  48  82.723 -12.305   8.888
  353    HG3  GLU  48           HG1      GLU  48  83.751 -11.973  10.279
  354    H    ASN  49           HN       ASN  49  84.986 -10.186   5.870
  355    HA   ASN  49           HA       ASN  49  86.020  -7.564   5.985
  356    HB2  ASN  49           HB2      ASN  49  87.332  -9.464   5.154
  357    HB3  ASN  49           HB1      ASN  49  86.276  -9.574   3.745
  358   HD21  ASN  49          HD21      ASN  49  88.532  -7.326   5.405
  359   HD22  ASN  49          HD22      ASN  49  88.958  -6.474   3.999
  360    H    ALA  50           HN       ALA  50  83.038  -8.201   5.091
  361    HA   ALA  50           HA       ALA  50  82.422  -5.816   3.870
  362    HB1  ALA  50           HB1      ALA  50  83.576  -6.109   1.886
  363    HB2  ALA  50           HB2      ALA  50  82.075  -6.918   1.440
  364    HB3  ALA  50           HB3      ALA  50  83.467  -7.867   1.968
  365    H    GLU  51           HN       GLU  51  80.211  -5.673   4.074
  366    HA   GLU  51           HA       GLU  51  78.372  -7.622   3.229
  367    HB2  GLU  51           HB2      GLU  51  79.280  -8.991   5.097
  368    HB3  GLU  51           HB1      GLU  51  78.873  -7.699   6.220
  369    HG2  GLU  51           HG2      GLU  51  76.504  -7.933   5.699
  370    HG3  GLU  51           HG1      GLU  51  76.866  -9.132   4.457
  371    H    VAL  52           HN       VAL  52  76.212  -6.770   3.311
  372    HA   VAL  52           HA       VAL  52  76.006  -4.103   4.505
  373    HB   VAL  52           HB       VAL  52  73.873  -5.470   2.856
  374   HG11  VAL  52          HG11      VAL  52  74.772  -2.580   2.933
  375   HG12  VAL  52          HG12      VAL  52  73.549  -3.235   4.022
  376   HG13  VAL  52          HG13      VAL  52  73.265  -3.225   2.283
  377   HG21  VAL  52          HG21      VAL  52  76.210  -3.934   1.673
  378   HG22  VAL  52          HG22      VAL  52  74.894  -4.714   0.808
  379   HG23  VAL  52          HG23      VAL  52  76.090  -5.697   1.647
  380    H    VAL  53           HN       VAL  53  74.066  -3.603   5.777
  381    HA   VAL  53           HA       VAL  53  72.680  -5.895   6.997
  382    HB   VAL  53           HB       VAL  53  74.522  -5.676   8.464
  383   HG11  VAL  53          HG11      VAL  53  75.172  -3.434   9.394
  384   HG12  VAL  53          HG12      VAL  53  74.056  -2.697   8.241
  385   HG13  VAL  53          HG13      VAL  53  75.448  -3.618   7.664
  386   HG21  VAL  53          HG21      VAL  53  72.344  -3.943   9.672
  387   HG22  VAL  53          HG22      VAL  53  73.550  -4.881  10.547
  388   HG23  VAL  53          HG23      VAL  53  72.302  -5.707   9.614
  389    H    PHE  54           HN       PHE  54  70.676  -5.369   7.970
  390    HA   PHE  54           HA       PHE  54  69.556  -2.784   7.071
  391    HB2  PHE  54           HB2      PHE  54  68.431  -5.518   7.516
  392    HB3  PHE  54           HB1      PHE  54  67.348  -4.152   7.762
  393    HD1  PHE  54           HD2      PHE  54  69.979  -5.230   5.301
  394    HD2  PHE  54           HD1      PHE  54  66.098  -3.479   5.912
  395    HE1  PHE  54           HE2      PHE  54  69.675  -5.048   2.846
  396    HE2  PHE  54           HE1      PHE  54  65.800  -3.301   3.452
  397    HZ   PHE  54           HZ       PHE  54  67.587  -4.083   1.923
  398    H    PHE  55           HN       PHE  55  68.563  -1.377   8.341
  399    HA   PHE  55           HA       PHE  55  68.193  -1.940  11.215
  400    HB2  PHE  55           HB2      PHE  55  69.712   0.367   9.992
  401    HB3  PHE  55           HB1      PHE  55  69.007   0.466  11.604
  402    HD1  PHE  55           HD1      PHE  55  69.715  -1.167  13.376
  403    HD2  PHE  55           HD2      PHE  55  71.707  -0.882   9.586
  404    HE1  PHE  55           HE1      PHE  55  71.671  -2.370  14.314
  405    HE2  PHE  55           HE2      PHE  55  73.660  -2.078  10.523
  406    HZ   PHE  55           HZ       PHE  55  73.646  -2.827  12.887
  407    H    GLU  56           HN       GLU  56  66.451  -0.834  12.142
  408    HA   GLU  56           HA       GLU  56  64.353   0.101  12.140
  409    HB2  GLU  56           HB2      GLU  56  65.879   1.978  10.343
  410    HB3  GLU  56           HB1      GLU  56  64.216   2.295  10.842
  411    HG2  GLU  56           HG2      GLU  56  66.506   1.792  12.765
  412    HG3  GLU  56           HG1      GLU  56  65.949   3.396  12.293
  413    H    ASN  57           HN       ASN  57  64.690  -2.074  10.355
  414    HA   ASN  57           HA       ASN  57  63.543  -3.191   8.719
  415    HB2  ASN  57           HB2      ASN  57  61.599  -2.114   9.927
  416    HB3  ASN  57           HB1      ASN  57  61.619  -0.869   8.678
  417   HD21  ASN  57          HD21      ASN  57  59.758  -1.415   7.467
  418   HD22  ASN  57          HD22      ASN  57  59.518  -2.931   6.742
  419    H    GLY  58           HN       GLY  58  65.699  -1.651   7.837
  420    HA2  GLY  58           HA2      GLY  58  66.629  -1.218   5.751
  421    HA3  GLY  58           HA1      GLY  58  65.041  -1.458   5.036
  422    H    LEU  59           HN       LEU  59  64.674   0.736   7.486
  423    HA   LEU  59           HA       LEU  59  64.206   2.931   5.740
  424    HB2  LEU  59           HB2      LEU  59  63.207   2.500   8.051
  425    HB3  LEU  59           HB1      LEU  59  64.739   3.052   8.702
  426    HG   LEU  59           HG       LEU  59  64.451   5.198   7.420
  427   HD11  LEU  59          HD11      LEU  59  61.865   3.826   6.707
  428   HD12  LEU  59          HD12      LEU  59  62.907   4.840   5.710
  429   HD13  LEU  59          HD13      LEU  59  61.865   5.578   6.919
  430   HD21  LEU  59          HD21      LEU  59  62.311   4.452   9.440
  431   HD22  LEU  59          HD22      LEU  59  62.764   6.101   9.011
  432   HD23  LEU  59          HD23      LEU  59  63.929   5.045   9.811
  433    H    ARG  60           HN       ARG  60  66.907   1.517   7.106
  434    HA   ARG  60           HA       ARG  60  68.706   3.569   6.074
  435    HB2  ARG  60           HB2      ARG  60  68.649   2.662   8.958
  436    HB3  ARG  60           HB1      ARG  60  70.091   3.349   8.212
  437    HG2  ARG  60           HG2      ARG  60  68.883   5.401   7.673
  438    HG3  ARG  60           HG1      ARG  60  67.386   4.718   8.309
  439    HD2  ARG  60           HD2      ARG  60  68.355   4.579  10.543
  440    HD3  ARG  60           HD1      ARG  60  69.906   5.151   9.935
  441    HE   ARG  60           HE       ARG  60  68.011   7.080   9.246
  442   HH11  ARG  60          HH21      ARG  60  69.764   5.829  11.939
  443   HH12  ARG  60          HH22      ARG  60  69.348   7.136  12.997
  444   HH21  ARG  60          HH11      ARG  60  67.271   8.690  10.707
  445   HH22  ARG  60          HH12      ARG  60  67.936   8.744  12.305
  446    H    HIS  61           HN       HIS  61  70.875   2.712   5.768
  447    HA   HIS  61           HA       HIS  61  71.182  -0.199   6.085
  448    HB2  HIS  61           HB2      HIS  61  71.486   1.226   3.428
  449    HB3  HIS  61           HB1      HIS  61  71.910  -0.453   3.745
  450    HD1  HIS  61           HD1      HIS  61  69.134   1.642   2.688
  451    HD2  HIS  61           HD2      HIS  61  69.517  -2.043   4.597
  452    HE1  HIS  61           HE1      HIS  61  66.897   0.476   2.453
  453    H    LEU  62           HN       LEU  62  73.254  -0.763   6.567
  454    HA   LEU  62           HA       LEU  62  75.374   1.283   6.165
  455    HB2  LEU  62           HB2      LEU  62  74.896  -0.466   8.591
  456    HB3  LEU  62           HB1      LEU  62  76.382   0.432   8.298
  457    HG   LEU  62           HG       LEU  62  74.643   2.473   7.990
  458   HD11  LEU  62          HD11      LEU  62  72.729   2.327   9.383
  459   HD12  LEU  62          HD12      LEU  62  73.268   0.807  10.096
  460   HD13  LEU  62          HD13      LEU  62  72.719   0.850   8.421
  461   HD21  LEU  62          HD21      LEU  62  76.433   2.560   9.592
  462   HD22  LEU  62          HD22      LEU  62  75.677   1.317  10.592
  463   HD23  LEU  62          HD23      LEU  62  74.943   2.918  10.469
  464    H    LEU  63           HN       LEU  63  77.273   0.586   5.412
  465    HA   LEU  63           HA       LEU  63  77.625  -2.329   4.954
  466    HB2  LEU  63           HB2      LEU  63  77.163  -1.326   2.839
  467    HB3  LEU  63           HB1      LEU  63  78.213   0.045   3.175
  468    HG   LEU  63           HG       LEU  63  80.193  -1.399   3.087
  469   HD11  LEU  63          HD11      LEU  63  79.686  -3.823   2.195
  470   HD12  LEU  63          HD12      LEU  63  78.102  -3.561   2.919
  471   HD13  LEU  63          HD13      LEU  63  79.545  -3.489   3.922
  472   HD21  LEU  63          HD21      LEU  63  79.644  -0.512   0.967
  473   HD22  LEU  63          HD22      LEU  63  78.240  -1.564   0.786
  474   HD23  LEU  63          HD23      LEU  63  79.868  -2.233   0.665
  475    H    LEU  64           HN       LEU  64  79.293  -3.079   6.206
  476    HA   LEU  64           HA       LEU  64  81.409  -1.201   6.979
  477    HB2  LEU  64           HB2      LEU  64  80.243  -2.454   8.760
  478    HB3  LEU  64           HB1      LEU  64  80.728  -3.970   8.004
  479    HG   LEU  64           HG       LEU  64  83.116  -3.375   8.342
  480   HD11  LEU  64          HD11      LEU  64  81.884  -0.847   9.406
  481   HD12  LEU  64          HD12      LEU  64  83.261  -1.038   8.319
  482   HD13  LEU  64          HD13      LEU  64  83.438  -1.392  10.031
  483   HD21  LEU  64          HD21      LEU  64  81.730  -2.984  10.993
  484   HD22  LEU  64          HD22      LEU  64  83.184  -3.914  10.628
  485   HD23  LEU  64          HD23      LEU  64  81.604  -4.518  10.132
  486    H    LEU  65           HN       LEU  65  83.432  -1.378   6.342
  487    HA   LEU  65           HA       LEU  65  84.302  -3.759   4.804
  488    HB2  LEU  65           HB2      LEU  65  85.304  -0.916   4.529
  489    HB3  LEU  65           HB1      LEU  65  85.858  -2.305   3.601
  490    HG   LEU  65           HG       LEU  65  83.044  -1.161   3.583
  491   HD11  LEU  65          HD11      LEU  65  83.659  -0.712   1.159
  492   HD12  LEU  65          HD12      LEU  65  85.324  -1.094   1.593
  493   HD13  LEU  65          HD13      LEU  65  84.512   0.280   2.343
  494   HD21  LEU  65          HD21      LEU  65  84.277  -3.621   2.343
  495   HD22  LEU  65          HD22      LEU  65  82.940  -2.806   1.534
  496   HD23  LEU  65          HD23      LEU  65  82.719  -3.451   3.155
  497    H    LYS  66           HN       LYS  66  86.847  -3.977   5.030
  498    HA   LYS  66           HA       LYS  66  87.854  -3.070   7.593
  499    HB2  LYS  66           HB2      LYS  66  86.510  -5.012   8.215
  500    HB3  LYS  66           HB1      LYS  66  87.309  -5.977   6.984
  501    HG2  LYS  66           HG2      LYS  66  89.423  -5.820   8.144
  502    HG3  LYS  66           HG1      LYS  66  88.731  -4.712   9.333
  503    HD2  LYS  66           HD2      LYS  66  87.208  -6.440  10.113
  504    HD3  LYS  66           HD1      LYS  66  87.737  -7.533   8.833
  505    HE2  LYS  66           HE2      LYS  66  88.947  -8.243  10.721
  506    HE3  LYS  66           HE1      LYS  66  90.097  -7.251   9.829
  507    HZ1  LYS  66           HZ1      LYS  66  89.322  -6.913  12.443
  508    HZ2  LYS  66           HZ2      LYS  66  88.521  -5.676  11.596
  509    HZ3  LYS  66           HZ3      LYS  66  90.211  -5.817  11.503
  510    H    ASN  67           HN       ASN  67  90.131  -3.934   7.905
  511    HA   ASN  67           HA       ASN  67  92.309  -3.753   7.008
  512    HB2  ASN  67           HB2      ASN  67  91.072  -6.153   5.643
  513    HB3  ASN  67           HB1      ASN  67  92.793  -5.784   5.585
  514   HD21  ASN  67          HD21      ASN  67  91.326  -8.092   6.914
  515   HD22  ASN  67          HD22      ASN  67  91.842  -8.049   8.532
  516    H    LEU  68           HN       LEU  68  90.949  -1.807   5.772
  517    HA   LEU  68           HA       LEU  68  90.549  -2.025   3.028
  518    HB2  LEU  68           HB2      LEU  68  91.291   0.401   4.658
  519    HB3  LEU  68           HB1      LEU  68  90.680   0.447   3.006
  520    HG   LEU  68           HG       LEU  68  89.214  -0.814   5.335
  521   HD11  LEU  68          HD11      LEU  68  87.802   1.164   5.292
  522   HD12  LEU  68          HD12      LEU  68  88.713   1.831   3.941
  523   HD13  LEU  68          HD13      LEU  68  89.476   1.659   5.523
  524   HD21  LEU  68          HD21      LEU  68  88.256  -1.851   3.494
  525   HD22  LEU  68          HD22      LEU  68  88.675  -0.544   2.390
  526   HD23  LEU  68          HD23      LEU  68  87.308  -0.367   3.483
  527    H    ARG  69           HN       ARG  69  91.925  -2.633   1.574
  528    HA   ARG  69           HA       ARG  69  94.757  -1.793   1.675
  529    HB2  ARG  69           HB2      ARG  69  93.215  -4.038   0.406
  530    HB3  ARG  69           HB1      ARG  69  94.715  -3.534  -0.363
  531    HG2  ARG  69           HG2      ARG  69  95.928  -3.884   1.742
  532    HG3  ARG  69           HG1      ARG  69  94.426  -4.343   2.542
  533    HD2  ARG  69           HD2      ARG  69  95.610  -6.362   1.909
  534    HD3  ARG  69           HD1      ARG  69  94.178  -6.208   0.897
  535    HE   ARG  69           HE       ARG  69  96.421  -5.003  -0.375
  536   HH11  ARG  69          HH11      ARG  69  94.720  -7.936   0.239
  537   HH12  ARG  69          HH12      ARG  69  95.564  -8.851  -0.965
  538   HH21  ARG  69          HH21      ARG  69  97.670  -6.240  -1.849
  539   HH22  ARG  69          HH22      ARG  69  97.238  -7.891  -2.145
  540    HA   PRO  70           HA       PRO  70  94.336   1.137  -1.613
  541    HB2  PRO  70           HB2      PRO  70  96.289  -0.003  -3.422
  542    HB3  PRO  70           HB1      PRO  70  96.502   1.376  -2.333
  543    HG2  PRO  70           HG2      PRO  70  97.439  -1.371  -2.029
  544    HG3  PRO  70           HG1      PRO  70  97.920   0.080  -1.136
  545    HD2  PRO  70           HD2      PRO  70  96.389  -2.002  -0.085
  546    HD3  PRO  70           HD1      PRO  70  96.457  -0.364   0.579
  547    H    GLN  71           HN       GLN  71  94.497  -2.263  -2.264
  548    HA   GLN  71           HA       GLN  71  93.443  -2.465  -4.839
  549    HB2  GLN  71           HB2      GLN  71  94.341  -4.373  -3.543
  550    HB3  GLN  71           HB1      GLN  71  92.958  -4.275  -2.454
  551    HG2  GLN  71           HG2      GLN  71  91.424  -4.779  -4.288
  552    HG3  GLN  71           HG1      GLN  71  92.757  -4.762  -5.443
  553   HE21  GLN  71          HE21      GLN  71  91.610  -7.123  -5.618
  554   HE22  GLN  71          HE22      GLN  71  92.369  -8.325  -4.689
  555    H    ASP  72           HN       ASP  72  91.645  -2.850  -1.769
  556    HA   ASP  72           HA       ASP  72  89.123  -2.966  -2.696
  557    HB2  ASP  72           HB2      ASP  72  90.205  -1.663  -0.207
  558    HB3  ASP  72           HB1      ASP  72  88.477  -1.844  -0.500
  559    H    SER  73           HN       SER  73  90.902   0.182  -2.183
  560    HA   SER  73           HA       SER  73  88.840   1.915  -2.478
  561    HB2  SER  73           HB2      SER  73  90.417   3.510  -3.057
  562    HB3  SER  73           HB1      SER  73  91.473   2.257  -2.410
  563    HG   SER  73           HG       SER  73  92.076   1.717  -4.406
  564    H    CYS  74           HN       CYS  74  87.217   1.995  -3.843
  565    HA   CYS  74           HA       CYS  74  87.693   1.786  -6.711
  566    HB2  CYS  74           HB2      CYS  74  87.294  -0.567  -5.638
  567    HB3  CYS  74           HB1      CYS  74  85.605  -0.060  -5.592
  568    HG   CYS  74           HG       CYS  74  86.267   0.539  -8.311
  569    H    ARG  75           HN       ARG  75  84.962   1.235  -7.317
  570    HA   ARG  75           HA       ARG  75  83.834   3.907  -6.851
  571    HB2  ARG  75           HB2      ARG  75  84.116   2.810  -9.154
  572    HB3  ARG  75           HB1      ARG  75  82.777   1.765  -8.692
  573    HG2  ARG  75           HG2      ARG  75  81.592   3.483  -9.717
  574    HG3  ARG  75           HG1      ARG  75  81.609   4.082  -8.059
  575    HD2  ARG  75           HD2      ARG  75  83.578   5.458  -8.562
  576    HD3  ARG  75           HD1      ARG  75  83.620   4.821 -10.200
  577    HE   ARG  75           HE       ARG  75  81.826   6.217 -10.751
  578   HH11  ARG  75          HH21      ARG  75  81.976   5.825  -7.330
  579   HH12  ARG  75          HH22      ARG  75  81.069   7.259  -6.981
  580   HH21  ARG  75          HH11      ARG  75  80.815   8.222 -10.306
  581   HH22  ARG  75          HH12      ARG  75  80.410   8.618  -8.669
  582    H    VAL  76           HN       VAL  76  82.048   4.275  -5.641
  583    HA   VAL  76           HA       VAL  76  80.528   1.932  -4.635
  584    HB   VAL  76           HB       VAL  76  80.496   4.636  -3.312
  585   HG11  VAL  76          HG11      VAL  76  79.750   3.434  -1.428
  586   HG12  VAL  76          HG12      VAL  76  80.402   1.907  -2.021
  587   HG13  VAL  76          HG13      VAL  76  78.960   2.594  -2.763
  588   HG21  VAL  76          HG21      VAL  76  82.858   4.159  -3.479
  589   HG22  VAL  76          HG22      VAL  76  82.605   2.474  -3.027
  590   HG23  VAL  76          HG23      VAL  76  82.354   3.751  -1.838
  591    H    THR  77           HN       THR  77  78.533   1.731  -5.488
  592    HA   THR  77           HA       THR  77  77.050   4.186  -6.237
  593    HB   THR  77           HB       THR  77  77.221   1.681  -7.931
  594    HG1  THR  77           HG1      THR  77  78.808   3.878  -7.723
  595   HG21  THR  77          HG21      THR  77  75.103   2.998  -8.088
  596   HG22  THR  77          HG22      THR  77  76.034   3.017  -9.586
  597   HG23  THR  77          HG23      THR  77  76.056   4.419  -8.516
  598    H    PHE  78           HN       PHE  78  75.022   4.219  -5.512
  599    HA   PHE  78           HA       PHE  78  73.743   1.688  -4.624
  600    HB2  PHE  78           HB2      PHE  78  74.371   3.222  -2.747
  601    HB3  PHE  78           HB1      PHE  78  73.366   4.472  -3.474
  602    HD1  PHE  78           HD2      PHE  78  73.093   0.834  -2.553
  603    HD2  PHE  78           HD1      PHE  78  71.199   4.690  -2.614
  604    HE1  PHE  78           HE2      PHE  78  71.120  -0.119  -1.392
  605    HE2  PHE  78           HE1      PHE  78  69.230   3.737  -1.446
  606    HZ   PHE  78           HZ       PHE  78  69.189   1.335  -0.837
  607    H    LEU  79           HN       LEU  79  72.200   1.180  -6.058
  608    HA   LEU  79           HA       LEU  79  70.692   3.371  -7.379
  609    HB2  LEU  79           HB2      LEU  79  72.074   1.730  -8.751
  610    HB3  LEU  79           HB1      LEU  79  70.919   0.494  -8.279
  611    HG   LEU  79           HG       LEU  79  69.960   3.076  -9.535
  612   HD11  LEU  79          HD11      LEU  79  70.889   0.595 -11.009
  613   HD12  LEU  79          HD12      LEU  79  71.690   2.166 -11.035
  614   HD13  LEU  79          HD13      LEU  79  70.083   1.983 -11.740
  615   HD21  LEU  79          HD21      LEU  79  68.152   1.754  -8.713
  616   HD22  LEU  79          HD22      LEU  79  68.885   0.252  -9.272
  617   HD23  LEU  79          HD23      LEU  79  68.217   1.396 -10.432
  618    H    ALA  80           HN       ALA  80  69.252   3.613  -5.628
  619    HA   ALA  80           HA       ALA  80  67.384   1.367  -5.144
  620    HB1  ALA  80           HB1      ALA  80  68.102   2.075  -3.045
  621    HB2  ALA  80           HB2      ALA  80  66.664   3.072  -3.253
  622    HB3  ALA  80           HB3      ALA  80  68.262   3.754  -3.555
  623    H    GLY  81           HN       GLY  81  66.035   1.569  -6.909
  624    HA2  GLY  81           HA2      GLY  81  64.406   2.468  -8.286
  625    HA3  GLY  81           HA1      GLY  81  63.839   3.220  -6.800
  626    H    ASP  82           HN       ASP  82  63.139   4.991  -8.183
  627    HA   ASP  82           HA       ASP  82  64.530   6.563  -9.891
  628    HB2  ASP  82           HB2      ASP  82  62.140   6.802  -9.072
  629    HB3  ASP  82           HB1      ASP  82  62.789   7.704  -7.702
  630    H    MET  83           HN       MET  83  65.525   5.999  -6.735
  631    HA   MET  83           HA       MET  83  66.983   8.568  -6.542
  632    HB2  MET  83           HB2      MET  83  67.101   6.691  -4.251
  633    HB3  MET  83           HB1      MET  83  66.796   8.425  -4.278
  634    HG2  MET  83           HG2      MET  83  64.493   7.865  -5.229
  635    HG3  MET  83           HG1      MET  83  64.831   6.190  -4.802
  636    HE1  MET  83           HE1      MET  83  65.148   6.174  -0.989
  637    HE2  MET  83           HE2      MET  83  66.510   6.395  -2.066
  638    HE3  MET  83           HE3      MET  83  65.232   5.279  -2.509
  639    H    VAL  84           HN       VAL  84  69.045   8.564  -7.216
  640    HA   VAL  84           HA       VAL  84  70.704   6.164  -6.720
  641    HB   VAL  84           HB       VAL  84  71.744   6.412  -8.883
  642   HG11  VAL  84          HG11      VAL  84  69.506   5.205  -8.651
  643   HG12  VAL  84          HG12      VAL  84  69.918   5.736 -10.282
  644   HG13  VAL  84          HG13      VAL  84  68.758   6.653  -9.320
  645   HG21  VAL  84          HG21      VAL  84  70.746   8.129 -10.486
  646   HG22  VAL  84          HG22      VAL  84  71.737   8.788  -9.185
  647   HG23  VAL  84          HG23      VAL  84  69.978   8.863  -9.080
  648    H    THR  85           HN       THR  85  72.647   6.585  -5.848
  649    HA   THR  85           HA       THR  85  73.761   9.320  -5.901
  650    HB   THR  85           HB       THR  85  73.926   9.501  -3.535
  651    HG1  THR  85           HG1      THR  85  74.126   6.857  -3.727
  652   HG21  THR  85          HG21      THR  85  71.334   7.972  -3.808
  653   HG22  THR  85          HG22      THR  85  71.541   9.565  -4.538
  654   HG23  THR  85          HG23      THR  85  71.675   9.374  -2.797
  655    H    SER  86           HN       SER  86  76.100   9.337  -5.470
  656    HA   SER  86           HA       SER  86  77.428   6.759  -5.136
  657    HB2  SER  86           HB2      SER  86  76.917   6.921  -7.589
  658    HB3  SER  86           HB1      SER  86  77.928   8.362  -7.651
  659    HG   SER  86           HG       SER  86  79.671   7.163  -7.362
  660    H    ALA  87           HN       ALA  87  79.370   6.934  -4.176
  661    HA   ALA  87           HA       ALA  87  80.744   9.558  -4.153
  662    HB1  ALA  87           HB1      ALA  87  80.337   7.776  -1.739
  663    HB2  ALA  87           HB2      ALA  87  79.502   9.303  -2.031
  664    HB3  ALA  87           HB3      ALA  87  81.247   9.284  -1.785
  665    H    PHE  88           HN       PHE  88  82.983   9.463  -4.003
  666    HA   PHE  88           HA       PHE  88  84.162   7.063  -5.045
  667    HB2  PHE  88           HB2      PHE  88  85.391   9.693  -4.195
  668    HB3  PHE  88           HB1      PHE  88  86.254   8.398  -5.026
  669    HD1  PHE  88           HD2      PHE  88  85.623   7.746  -7.340
  670    HD2  PHE  88           HD1      PHE  88  83.822  11.098  -5.351
  671    HE1  PHE  88           HE2      PHE  88  84.772   8.579  -9.516
  672    HE2  PHE  88           HE1      PHE  88  82.970  11.932  -7.523
  673    HZ   PHE  88           HZ       PHE  88  83.444  10.672  -9.608
  674    H    LEU  89           HN       LEU  89  86.181   6.184  -4.178
  675    HA   LEU  89           HA       LEU  89  86.291   6.129  -1.221
  676    HB2  LEU  89           HB2      LEU  89  85.148   4.095  -2.043
  677    HB3  LEU  89           HB1      LEU  89  86.520   3.752  -3.093
  678    HG   LEU  89           HG       LEU  89  87.988   3.549  -1.126
  679   HD11  LEU  89          HD11      LEU  89  87.185   4.924   0.565
  680   HD12  LEU  89          HD12      LEU  89  86.620   3.357   1.137
  681   HD13  LEU  89          HD13      LEU  89  85.508   4.445   0.308
  682   HD21  LEU  89          HD21      LEU  89  86.548   1.622  -2.044
  683   HD22  LEU  89          HD22      LEU  89  85.501   1.892  -0.650
  684   HD23  LEU  89          HD23      LEU  89  87.182   1.418  -0.412
  685    H    THR  90           HN       THR  90  88.349   6.203  -0.388
  686    HA   THR  90           HA       THR  90  90.628   5.870  -2.238
  687    HB   THR  90           HB       THR  90  90.267   8.255  -0.409
  688    HG1  THR  90           HG1      THR  90  89.858   7.791  -3.138
  689   HG21  THR  90          HG21      THR  90  92.605   7.585  -0.619
  690   HG22  THR  90          HG22      THR  90  92.330   9.045  -1.568
  691   HG23  THR  90          HG23      THR  90  92.444   7.480  -2.373
  692    H    VAL  91           HN       VAL  91  92.154   4.624  -1.380
  693    HA   VAL  91           HA       VAL  91  92.526   4.614   1.554
  694    HB   VAL  91           HB       VAL  91  92.435   2.079  -0.078
  695   HG11  VAL  91          HG11      VAL  91  92.063   2.327   2.903
  696   HG12  VAL  91          HG12      VAL  91  93.691   2.358   2.224
  697   HG13  VAL  91          HG13      VAL  91  92.658   0.961   1.960
  698   HG21  VAL  91          HG21      VAL  91  90.273   3.445   1.549
  699   HG22  VAL  91          HG22      VAL  91  90.210   1.741   1.102
  700   HG23  VAL  91          HG23      VAL  91  90.206   2.982  -0.151
  701    H    ARG  92           HN       ARG  92  94.614   4.902   2.056
  702    HA   ARG  92           HA       ARG  92  96.639   4.813   0.025
  703    HB2  ARG  92           HB2      ARG  92  96.733   5.356   2.996
  704    HB3  ARG  92           HB1      ARG  92  98.150   5.430   1.947
  705    HG2  ARG  92           HG2      ARG  92  97.051   7.139   0.560
  706    HG3  ARG  92           HG1      ARG  92  95.616   7.055   1.580
  707    HD2  ARG  92           HD2      ARG  92  96.981   7.758   3.531
  708    HD3  ARG  92           HD1      ARG  92  98.390   7.888   2.481
  709    HE   ARG  92           HE       ARG  92  96.495   9.479   1.284
  710   HH11  ARG  92          HH21      ARG  92  97.200   9.207   4.627
  711   HH12  ARG  92          HH22      ARG  92  97.377  10.912   4.884
  712   HH21  ARG  92          HH11      ARG  92  97.059  11.721   1.528
  713   HH22  ARG  92          HH12      ARG  92  97.300  12.335   3.130
  714    H    GLY  93           HN       GLY  93  98.727   3.702   0.374
  715    HA2  GLY  93           HA2      GLY  93  98.292   0.913   1.264
  716    HA3  GLY  93           HA1      GLY  93  99.495   1.441   0.089
  717    H    GLY  94           HN       GLY  94 101.336   0.694   1.126
  718    HA2  GLY  94           HA2      GLY  94 102.220   2.257   3.422
  719    HA3  GLY  94           HA1      GLY  94 102.053   0.527   3.708
  720    H    LEU  95           HN       LEU  95 104.453   1.094   4.158
  721    HA   LEU  95           HA       LEU  95 106.054   0.766   1.673
  722    HB2  LEU  95           HB2      LEU  95 106.642   2.111   4.306
  723    HB3  LEU  95           HB1      LEU  95 107.964   1.493   3.317
  724    HG   LEU  95           HG       LEU  95 107.234   2.869   1.427
  725   HD11  LEU  95          HD11      LEU  95 104.924   3.111   1.521
  726   HD12  LEU  95          HD12      LEU  95 105.426   4.684   2.128
  727   HD13  LEU  95          HD13      LEU  95 104.911   3.429   3.255
  728   HD21  LEU  95          HD21      LEU  95 107.966   4.962   2.292
  729   HD22  LEU  95          HD22      LEU  95 108.709   3.763   3.348
  730   HD23  LEU  95          HD23      LEU  95 107.273   4.638   3.881
  731    H    GLU  96           HN       GLU  96 106.985  -1.172   1.397
  732    HA   GLU  96           HA       GLU  96 107.025  -3.060   3.661
  733    HB2  GLU  96           HB2      GLU  96 107.650  -4.687   1.739
  734    HB3  GLU  96           HB1      GLU  96 105.998  -4.080   1.821
  735    HG2  GLU  96           HG2      GLU  96 106.468  -2.401   0.137
  736    HG3  GLU  96           HG1      GLU  96 108.176  -2.834   0.126
  737    H    HIS  97           HN       HIS  97 108.828  -3.248   4.785
  738    HA   HIS  97           HA       HIS  97 111.436  -2.645   3.499
  739    HB2  HIS  97           HB2      HIS  97 110.636  -2.647   6.423
  740    HB3  HIS  97           HB1      HIS  97 112.250  -2.293   5.806
  741    HD1  HIS  97           HD1      HIS  97 112.490  -0.105   4.311
  742    HD2  HIS  97           HD2      HIS  97 108.810  -0.534   6.217
  743    HE1  HIS  97           HE1      HIS  97 111.343   2.149   4.164
  744    H    HIS  98           HN       HIS  98 109.478  -5.155   4.388
  745    HA   HIS  98           HA       HIS  98 111.611  -6.931   5.333
  746    HB2  HIS  98           HB2      HIS  98 109.060  -8.273   4.884
  747    HB3  HIS  98           HB1      HIS  98 109.923  -8.018   6.399
  748    HD1  HIS  98           HD1      HIS  98 107.016  -6.864   4.473
  749    HD2  HIS  98           HD2      HIS  98 109.307  -5.404   7.635
  750    HE1  HIS  98           HE1      HIS  98 105.696  -4.960   5.495
  751    H    HIS  99           HN       HIS  99 111.036  -5.770   2.450
  752    HA   HIS  99           HA       HIS  99 110.764  -8.205   0.888
  753    HB2  HIS  99           HB2      HIS  99 109.913  -5.921   0.141
  754    HB3  HIS  99           HB1      HIS  99 111.600  -5.486  -0.135
  755    HD1  HIS  99           HD1      HIS  99 109.138  -8.212  -1.163
  756    HD2  HIS  99           HD2      HIS  99 112.564  -6.321  -2.600
  757    HE1  HIS  99           HE1      HIS  99 109.554  -9.147  -3.478
  758    H    HIS 100           HN       HIS 100 113.180  -7.213   2.742
  759    HA   HIS 100           HA       HIS 100 115.365  -7.631   0.812
  760    HB2  HIS 100           HB2      HIS 100 115.300  -6.748   3.699
  761    HB3  HIS 100           HB1      HIS 100 116.796  -7.116   2.839
  762    HD1  HIS 100           HD1      HIS 100 117.296  -5.627   0.667
  763    HD2  HIS 100           HD2      HIS 100 114.211  -4.241   3.105
  764    HE1  HIS 100           HE1      HIS 100 116.863  -3.228  -0.020
  765    H    HIS 101           HN       HIS 101 114.350  -8.925   4.003
  766    HA   HIS 101           HA       HIS 101 115.038 -11.617   3.146
  767    HB2  HIS 101           HB2      HIS 101 117.215 -10.723   3.916
  768    HB3  HIS 101           HB1      HIS 101 116.490 -10.325   5.473
  769    HD1  HIS 101           HD1      HIS 101 117.801 -13.174   3.466
  770    HD2  HIS 101           HD2      HIS 101 115.776 -12.630   7.071
  771    HE1  HIS 101           HE1      HIS 101 117.930 -15.381   4.700
  772    H    HIS 102           HN       HIS 102 112.832 -12.024   3.530
  773    HA   HIS 102           HA       HIS 102 110.913 -12.404   4.756
  774    HB2  HIS 102           HB2      HIS 102 113.030 -13.444   6.650
  775    HB3  HIS 102           HB1      HIS 102 111.313 -13.834   6.733
  776    HD1  HIS 102           HD1      HIS 102 110.329 -14.917   4.389
  777    HD2  HIS 102           HD2      HIS 102 114.443 -15.165   5.014
  778    HE1  HIS 102           HE1      HIS 102 111.183 -16.733   2.840
  Start of MODEL    5
    1    H1   THR   1           HT1      THR   1  56.942   1.721  -2.962
    2    H2   THR   1           HT2      THR   1  56.668   2.408  -4.493
    3    H3   THR   1           HT3      THR   1  57.288   0.833  -4.367
    4    HA   THR   1           HA       THR   1  54.975   0.711  -4.947
    5    HB   THR   1           HB       THR   1  55.731  -1.064  -3.499
    6    HG1  THR   1           HG1      THR   1  53.596  -0.489  -1.949
    7   HG21  THR   1          HG21      THR   1  56.835   0.332  -1.799
    8   HG22  THR   1          HG22      THR   1  55.718  -0.802  -1.038
    9   HG23  THR   1          HG23      THR   1  55.263   0.892  -1.227
   10    H    ALA   2           HN       ALA   2  55.766   2.911  -2.378
   11    HA   ALA   2           HA       ALA   2  53.100   4.151  -2.623
   12    HB1  ALA   2           HB1      ALA   2  53.001   4.389  -0.154
   13    HB2  ALA   2           HB2      ALA   2  54.436   3.373  -0.024
   14    HB3  ALA   2           HB3      ALA   2  52.937   2.707  -0.673
   15    H    LYS   3           HN       LYS   3  56.418   4.370  -1.366
   16    HA   LYS   3           HA       LYS   3  56.669   7.080  -2.288
   17    HB2  LYS   3           HB2      LYS   3  55.363   7.321  -0.144
   18    HB3  LYS   3           HB1      LYS   3  56.718   6.583   0.697
   19    HG2  LYS   3           HG2      LYS   3  56.995   8.947   0.936
   20    HG3  LYS   3           HG1      LYS   3  58.187   8.427  -0.248
   21    HD2  LYS   3           HD2      LYS   3  56.953   9.319  -2.063
   22    HD3  LYS   3           HD1      LYS   3  55.467   9.416  -1.122
   23    HE2  LYS   3           HE2      LYS   3  56.302  11.648  -1.312
   24    HE3  LYS   3           HE1      LYS   3  56.657  11.137   0.337
   25    HZ1  LYS   3           HZ1      LYS   3  58.736  10.418  -1.480
   26    HZ2  LYS   3           HZ2      LYS   3  58.824  11.304  -0.031
   27    HZ3  LYS   3           HZ3      LYS   3  58.454  12.091  -1.490
   28    H    ASN   4           HN       ASN   4  58.787   7.259  -2.924
   29    HA   ASN   4           HA       ASN   4  60.858   6.005  -1.249
   30    HB2  ASN   4           HB2      ASN   4  61.994   5.128  -3.225
   31    HB3  ASN   4           HB1      ASN   4  60.377   4.440  -3.115
   32   HD21  ASN   4          HD21      ASN   4  58.833   4.997  -4.775
   33   HD22  ASN   4          HD22      ASN   4  59.263   5.912  -6.140
   34    H    THR   5           HN       THR   5  62.012   7.786  -0.588
   35    HA   THR   5           HA       THR   5  62.924   9.645  -2.681
   36    HB   THR   5           HB       THR   5  61.539  10.551  -0.143
   37    HG1  THR   5           HG1      THR   5  60.410  11.504  -2.299
   38   HG21  THR   5          HG21      THR   5  61.790  12.806  -1.186
   39   HG22  THR   5          HG22      THR   5  62.777  12.076  -2.453
   40   HG23  THR   5          HG23      THR   5  63.338  12.065  -0.783
   41    H    VAL   6           HN       VAL   6  65.035   9.485  -2.507
   42    HA   VAL   6           HA       VAL   6  66.426   8.736  -0.154
   43    HB   VAL   6           HB       VAL   6  67.249   8.531  -2.550
   44   HG11  VAL   6          HG11      VAL   6  66.786  11.013  -3.028
   45   HG12  VAL   6          HG12      VAL   6  68.340  10.391  -3.580
   46   HG13  VAL   6          HG13      VAL   6  68.251  11.350  -2.107
   47   HG21  VAL   6          HG21      VAL   6  69.089   9.782  -0.490
   48   HG22  VAL   6          HG22      VAL   6  69.610   8.833  -1.883
   49   HG23  VAL   6          HG23      VAL   6  68.675   8.070  -0.598
   50    H    VAL   7           HN       VAL   7  67.116   9.843   1.521
   51    HA   VAL   7           HA       VAL   7  66.647  12.732   1.658
   52    HB   VAL   7           HB       VAL   7  67.619  10.788   3.766
   53   HG11  VAL   7          HG11      VAL   7  66.705  13.669   3.841
   54   HG12  VAL   7          HG12      VAL   7  68.227  12.999   4.428
   55   HG13  VAL   7          HG13      VAL   7  66.723  12.650   5.279
   56   HG21  VAL   7          HG21      VAL   7  64.846  11.894   3.245
   57   HG22  VAL   7          HG22      VAL   7  65.300  10.839   4.584
   58   HG23  VAL   7          HG23      VAL   7  65.357  10.236   2.926
   59    H    ARG   8           HN       ARG   8  69.205  10.333   2.006
   60    HA   ARG   8           HA       ARG   8  71.168  12.154   0.908
   61    HB2  ARG   8           HB2      ARG   8  71.420  12.715   3.261
   62    HB3  ARG   8           HB1      ARG   8  71.489  11.007   3.696
   63    HG2  ARG   8           HG2      ARG   8  73.575  10.724   2.444
   64    HG3  ARG   8           HG1      ARG   8  73.481  12.383   1.856
   65    HD2  ARG   8           HD2      ARG   8  73.633  11.621   4.784
   66    HD3  ARG   8           HD1      ARG   8  75.035  12.053   3.813
   67    HE   ARG   8           HE       ARG   8  73.103  13.865   4.927
   68   HH11  ARG   8          HH21      ARG   8  75.522  13.336   2.515
   69   HH12  ARG   8          HH22      ARG   8  75.621  14.997   2.049
   70   HH21  ARG   8          HH11      ARG   8  73.121  16.033   4.222
   71   HH22  ARG   8          HH12      ARG   8  74.256  16.525   3.010
   72    H    GLY   9           HN       GLY   9  72.984  11.059   0.162
   73    HA2  GLY   9           HA2      GLY   9  72.625   8.133  -0.156
   74    HA3  GLY   9           HA1      GLY   9  73.390   9.186  -1.328
   75    H    LEU  10           HN       LEU  10  75.332   8.211  -1.435
   76    HA   LEU  10           HA       LEU  10  76.843   7.544   0.943
   77    HB2  LEU  10           HB2      LEU  10  77.735   7.530  -1.948
   78    HB3  LEU  10           HB1      LEU  10  78.466   6.663  -0.598
   79    HG   LEU  10           HG       LEU  10  75.671   6.220  -1.687
   80   HD11  LEU  10          HD11      LEU  10  76.986   5.114  -3.229
   81   HD12  LEU  10          HD12      LEU  10  76.840   3.845  -2.020
   82   HD13  LEU  10          HD13      LEU  10  78.302   4.833  -2.090
   83   HD21  LEU  10          HD21      LEU  10  77.126   5.192   0.736
   84   HD22  LEU  10          HD22      LEU  10  75.965   4.146  -0.076
   85   HD23  LEU  10          HD23      LEU  10  75.447   5.700   0.572
   86    H    GLU  11           HN       GLU  11  78.998   8.337   1.337
   87    HA   GLU  11           HA       GLU  11  79.571  11.054   0.316
   88    HB2  GLU  11           HB2      GLU  11  79.541  10.141   3.199
   89    HB3  GLU  11           HB1      GLU  11  80.384  11.595   2.663
   90    HG2  GLU  11           HG2      GLU  11  78.263  12.488   1.768
   91    HG3  GLU  11           HG1      GLU  11  77.424  11.039   2.327
   92    H    ASN  12           HN       ASN  12  81.811  11.626   0.409
   93    HA   ASN  12           HA       ASN  12  83.572   9.567  -0.321
   94    HB2  ASN  12           HB2      ASN  12  84.279  12.284   0.813
   95    HB3  ASN  12           HB1      ASN  12  85.343  11.236  -0.121
   96   HD21  ASN  12          HD21      ASN  12  83.356  10.378  -2.077
   97   HD22  ASN  12          HD22      ASN  12  82.990  11.727  -3.039
   98    H    VAL  13           HN       VAL  13  85.294   8.580   0.798
   99    HA   VAL  13           HA       VAL  13  85.328   8.879   3.742
  100    HB   VAL  13           HB       VAL  13  85.261   6.211   2.304
  101   HG11  VAL  13          HG11      VAL  13  85.467   7.012   5.215
  102   HG12  VAL  13          HG12      VAL  13  86.583   6.006   4.292
  103   HG13  VAL  13          HG13      VAL  13  84.977   5.393   4.708
  104   HG21  VAL  13          HG21      VAL  13  83.062   7.310   2.299
  105   HG22  VAL  13          HG22      VAL  13  83.191   7.609   4.032
  106   HG23  VAL  13          HG23      VAL  13  83.059   5.956   3.432
  107    H    GLU  14           HN       GLU  14  87.327   8.975   4.570
  108    HA   GLU  14           HA       GLU  14  89.623   8.208   2.840
  109    HB2  GLU  14           HB2      GLU  14  89.346  10.656   2.970
  110    HB3  GLU  14           HB1      GLU  14  89.418  10.568   4.731
  111    HG2  GLU  14           HG2      GLU  14  91.686   9.689   4.638
  112    HG3  GLU  14           HG1      GLU  14  91.619   9.614   2.879
  113    H    ALA  15           HN       ALA  15  90.957   6.736   3.726
  114    HA   ALA  15           HA       ALA  15  91.505   6.765   6.581
  115    HB1  ALA  15           HB1      ALA  15  90.379   4.236   5.371
  116    HB2  ALA  15           HB2      ALA  15  89.409   5.370   6.312
  117    HB3  ALA  15           HB3      ALA  15  90.773   4.543   7.061
  118    H    LEU  16           HN       LEU  16  93.394   5.667   7.147
  119    HA   LEU  16           HA       LEU  16  95.269   5.276   5.001
  120    HB2  LEU  16           HB2      LEU  16  95.402   5.032   8.004
  121    HB3  LEU  16           HB1      LEU  16  96.737   4.475   6.997
  122    HG   LEU  16           HG       LEU  16  96.904   6.712   5.970
  123   HD11  LEU  16          HD11      LEU  16  94.668   7.536   6.081
  124   HD12  LEU  16          HD12      LEU  16  95.600   8.572   7.160
  125   HD13  LEU  16          HD13      LEU  16  94.584   7.291   7.825
  126   HD21  LEU  16          HD21      LEU  16  97.816   7.869   7.912
  127   HD22  LEU  16          HD22      LEU  16  98.178   6.149   8.052
  128   HD23  LEU  16          HD23      LEU  16  96.869   6.858   9.001
  129    H    GLU  17           HN       GLU  17  96.564   3.282   4.795
  130    HA   GLU  17           HA       GLU  17  95.130   1.060   4.085
  131    HB2  GLU  17           HB2      GLU  17  97.494   1.453   3.530
  132    HB3  GLU  17           HB1      GLU  17  97.946   1.100   5.193
  133    HG2  GLU  17           HG2      GLU  17  97.048  -1.177   4.972
  134    HG3  GLU  17           HG1      GLU  17  96.527  -0.823   3.325
  135    H    GLY  18           HN       GLY  18  94.620  -0.907   4.997
  136    HA2  GLY  18           HA2      GLY  18  93.959  -2.411   6.581
  137    HA3  GLY  18           HA1      GLY  18  95.230  -1.764   7.612
  138    H    GLY  19           HN       GLY  19  92.747   0.345   6.372
  139    HA2  GLY  19           HA2      GLY  19  91.777   0.793   9.114
  140    HA3  GLY  19           HA1      GLY  19  91.524   1.846   7.730
  141    H    GLU  20           HN       GLU  20  89.355   1.677   8.896
  142    HA   GLU  20           HA       GLU  20  87.713  -0.461   7.646
  143    HB2  GLU  20           HB2      GLU  20  87.789  -0.650  10.116
  144    HB3  GLU  20           HB1      GLU  20  87.234   1.014  10.259
  145    HG2  GLU  20           HG2      GLU  20  85.141   0.443   9.128
  146    HG3  GLU  20           HG1      GLU  20  85.700  -1.208   8.872
  147    H    ALA  21           HN       ALA  21  85.542   0.295   6.978
  148    HA   ALA  21           HA       ALA  21  85.249   3.227   6.795
  149    HB1  ALA  21           HB1      ALA  21  84.629   2.811   4.265
  150    HB2  ALA  21           HB2      ALA  21  85.672   1.407   4.449
  151    HB3  ALA  21           HB3      ALA  21  86.313   3.019   4.737
  152    H    LEU  22           HN       LEU  22  83.173   3.958   6.614
  153    HA   LEU  22           HA       LEU  22  81.047   1.911   6.480
  154    HB2  LEU  22           HB2      LEU  22  81.105   4.290   8.349
  155    HB3  LEU  22           HB1      LEU  22  79.774   3.154   8.165
  156    HG   LEU  22           HG       LEU  22  81.662   1.350   8.725
  157   HD11  LEU  22          HD11      LEU  22  82.702   3.910   9.982
  158   HD12  LEU  22          HD12      LEU  22  83.557   2.877   8.841
  159   HD13  LEU  22          HD13      LEU  22  83.213   2.295  10.464
  160   HD21  LEU  22          HD21      LEU  22  81.040   1.544  11.119
  161   HD22  LEU  22          HD22      LEU  22  79.636   1.748  10.071
  162   HD23  LEU  22          HD23      LEU  22  80.395   3.158  10.813
  163    H    PHE  23           HN       PHE  23  79.791   2.239   4.825
  164    HA   PHE  23           HA       PHE  23  79.278   4.998   3.865
  165    HB2  PHE  23           HB2      PHE  23  79.398   2.323   2.465
  166    HB3  PHE  23           HB1      PHE  23  78.582   3.700   1.743
  167    HD1  PHE  23           HD2      PHE  23  79.838   5.679   1.036
  168    HD2  PHE  23           HD1      PHE  23  81.814   2.247   2.702
  169    HE1  PHE  23           HE2      PHE  23  82.005   6.505   0.167
  170    HE2  PHE  23           HE1      PHE  23  83.982   3.072   1.826
  171    HZ   PHE  23           HZ       PHE  23  84.073   5.203   0.556
  172    H    GLU  24           HN       GLU  24  77.392   5.518   5.001
  173    HA   GLU  24           HA       GLU  24  75.102   3.643   4.667
  174    HB2  GLU  24           HB2      GLU  24  74.266   4.281   6.820
  175    HB3  GLU  24           HB1      GLU  24  75.938   3.768   7.016
  176    HG2  GLU  24           HG2      GLU  24  76.587   6.217   6.854
  177    HG3  GLU  24           HG1      GLU  24  74.867   6.595   6.954
  178    H    CYS  25           HN       CYS  25  73.017   4.579   4.578
  179    HA   CYS  25           HA       CYS  25  72.848   7.443   3.949
  180    HB2  CYS  25           HB2      CYS  25  71.416   6.592   1.876
  181    HB3  CYS  25           HB1      CYS  25  73.164   6.768   1.752
  182    HG   CYS  25           HG       CYS  25  71.928   3.994   2.469
  183    H    GLN  26           HN       GLN  26  70.685   8.219   3.883
  184    HA   GLN  26           HA       GLN  26  68.781   6.579   5.464
  185    HB2  GLN  26           HB2      GLN  26  68.983   9.587   5.158
  186    HB3  GLN  26           HB1      GLN  26  67.844   8.727   6.190
  187    HG2  GLN  26           HG2      GLN  26  69.748   7.763   7.451
  188    HG3  GLN  26           HG1      GLN  26  70.864   8.669   6.430
  189   HE21  GLN  26          HE21      GLN  26  68.447  10.796   6.554
  190   HE22  GLN  26          HE22      GLN  26  68.821  11.637   7.980
  191    H    LEU  27           HN       LEU  27  67.310   5.698   4.148
  192    HA   LEU  27           HA       LEU  27  66.294   7.286   1.852
  193    HB2  LEU  27           HB2      LEU  27  67.656   5.205   1.386
  194    HB3  LEU  27           HB1      LEU  27  66.366   4.271   2.134
  195    HG   LEU  27           HG       LEU  27  65.604   6.203  -0.051
  196   HD11  LEU  27          HD11      LEU  27  67.080   3.595  -0.456
  197   HD12  LEU  27          HD12      LEU  27  67.449   5.178  -1.147
  198   HD13  LEU  27          HD13      LEU  27  66.033   4.288  -1.698
  199   HD21  LEU  27          HD21      LEU  27  63.828   4.947   1.035
  200   HD22  LEU  27          HD22      LEU  27  64.684   3.432   0.787
  201   HD23  LEU  27          HD23      LEU  27  64.034   4.315  -0.594
  202    H    SER  28           HN       SER  28  64.165   7.700   1.760
  203    HA   SER  28           HA       SER  28  62.451   6.776   3.937
  204    HB2  SER  28           HB2      SER  28  62.437   9.158   3.235
  205    HB3  SER  28           HB1      SER  28  61.856   8.666   1.645
  206    HG   SER  28           HG       SER  28  60.247   9.309   3.313
  207    H    GLN  29           HN       GLN  29  62.001   4.651   3.499
  208    HA   GLN  29           HA       GLN  29  59.858   3.961   1.860
  209    HB2  GLN  29           HB2      GLN  29  61.806   4.262   0.135
  210    HB3  GLN  29           HB1      GLN  29  62.399   2.743   0.781
  211    HG2  GLN  29           HG2      GLN  29  60.291   1.650   0.222
  212    HG3  GLN  29           HG1      GLN  29  59.615   3.176  -0.331
  213   HE21  GLN  29          HE21      GLN  29  59.376   1.847  -2.437
  214   HE22  GLN  29          HE22      GLN  29  60.710   1.825  -3.490
  215    HA   PRO  30           HA       PRO  30  60.913   1.129   5.328
  216    HB2  PRO  30           HB2      PRO  30  58.148   0.246   5.407
  217    HB3  PRO  30           HB1      PRO  30  59.036   1.207   6.600
  218    HG2  PRO  30           HG2      PRO  30  57.006   2.118   4.852
  219    HG3  PRO  30           HG1      PRO  30  58.039   3.103   5.896
  220    HD2  PRO  30           HD2      PRO  30  58.142   2.809   2.983
  221    HD3  PRO  30           HD1      PRO  30  58.974   3.989   4.020
  222    H    GLU  31           HN       GLU  31  59.444   0.371   2.250
  223    HA   GLU  31           HA       GLU  31  60.672  -2.287   2.409
  224    HB2  GLU  31           HB2      GLU  31  58.684  -3.446   1.636
  225    HB3  GLU  31           HB1      GLU  31  58.332  -2.628   3.155
  226    HG2  GLU  31           HG2      GLU  31  57.363  -0.726   1.844
  227    HG3  GLU  31           HG1      GLU  31  57.596  -1.673   0.374
  228    H    VAL  32           HN       VAL  32  61.572  -2.881   0.527
  229    HA   VAL  32           HA       VAL  32  60.876  -1.313  -1.891
  230    HB   VAL  32           HB       VAL  32  63.131  -1.018  -2.407
  231   HG11  VAL  32          HG11      VAL  32  63.969   0.214  -0.521
  232   HG12  VAL  32          HG12      VAL  32  63.078  -0.802   0.609
  233   HG13  VAL  32          HG13      VAL  32  62.212   0.314  -0.445
  234   HG21  VAL  32          HG21      VAL  32  63.626  -3.169  -0.346
  235   HG22  VAL  32          HG22      VAL  32  64.923  -2.088  -0.854
  236   HG23  VAL  32          HG23      VAL  32  64.138  -3.137  -2.032
  237    H    ALA  33           HN       ALA  33  60.168  -2.494  -3.445
  238    HA   ALA  33           HA       ALA  33  60.402  -5.359  -3.460
  239    HB1  ALA  33           HB1      ALA  33  58.818  -5.285  -5.217
  240    HB2  ALA  33           HB2      ALA  33  59.219  -3.611  -5.612
  241    HB3  ALA  33           HB3      ALA  33  58.363  -3.986  -4.115
  242    H    ALA  34           HN       ALA  34  62.580  -3.060  -4.481
  243    HA   ALA  34           HA       ALA  34  63.971  -4.952  -6.114
  244    HB1  ALA  34           HB1      ALA  34  63.927  -3.743  -8.218
  245    HB2  ALA  34           HB2      ALA  34  62.890  -2.500  -7.517
  246    HB3  ALA  34           HB3      ALA  34  62.273  -4.137  -7.742
  247    H    HIS  35           HN       HIS  35  65.928  -4.629  -5.243
  248    HA   HIS  35           HA       HIS  35  67.039  -1.887  -5.297
  249    HB2  HIS  35           HB2      HIS  35  66.734  -3.705  -2.959
  250    HB3  HIS  35           HB1      HIS  35  68.306  -2.920  -3.102
  251    HD1  HIS  35           HD1      HIS  35  65.139  -1.239  -4.250
  252    HD2  HIS  35           HD2      HIS  35  67.805  -1.037  -1.056
  253    HE1  HIS  35           HE1      HIS  35  64.560   0.862  -2.963
  254    H    THR  36           HN       THR  36  69.000  -1.720  -6.104
  255    HA   THR  36           HA       THR  36  70.631  -4.164  -6.501
  256    HB   THR  36           HB       THR  36  70.187  -1.911  -8.478
  257    HG1  THR  36           HG1      THR  36  69.015  -4.329  -8.051
  258   HG21  THR  36          HG21      THR  36  71.556  -3.452  -9.960
  259   HG22  THR  36          HG22      THR  36  71.973  -4.353  -8.502
  260   HG23  THR  36          HG23      THR  36  72.454  -2.664  -8.662
  261    H    TRP  37           HN       TRP  37  72.475  -3.937  -5.423
  262    HA   TRP  37           HA       TRP  37  73.699  -1.235  -5.187
  263    HB2  TRP  37           HB2      TRP  37  72.666  -2.321  -3.083
  264    HB3  TRP  37           HB1      TRP  37  74.015  -3.442  -3.154
  265    HD1  TRP  37           HD1      TRP  37  76.169  -1.113  -4.150
  266    HE1  TRP  37           HE1      TRP  37  77.041   0.510  -2.369
  267    HE3  TRP  37           HE3      TRP  37  72.519  -1.643  -0.613
  268    HZ2  TRP  37           HZ2      TRP  37  76.306   1.459   0.212
  269    HZ3  TRP  37           HZ3      TRP  37  72.636  -0.360   1.496
  270    HH2  TRP  37           HH2      TRP  37  74.521   1.195   1.922
  271    H    LEU  38           HN       LEU  38  75.406  -1.203  -6.483
  272    HA   LEU  38           HA       LEU  38  77.345  -3.448  -6.352
  273    HB2  LEU  38           HB2      LEU  38  76.497  -1.985  -8.863
  274    HB3  LEU  38           HB1      LEU  38  77.853  -3.103  -8.760
  275    HG   LEU  38           HG       LEU  38  74.953  -3.798  -8.172
  276   HD11  LEU  38          HD11      LEU  38  76.789  -4.337 -10.531
  277   HD12  LEU  38          HD12      LEU  38  75.249  -3.476 -10.546
  278   HD13  LEU  38          HD13      LEU  38  75.283  -5.216 -10.265
  279   HD21  LEU  38          HD21      LEU  38  76.146  -6.192  -8.452
  280   HD22  LEU  38          HD22      LEU  38  76.106  -5.373  -6.896
  281   HD23  LEU  38          HD23      LEU  38  77.554  -5.289  -7.893
  282    H    LEU  39           HN       LEU  39  79.138  -2.736  -5.490
  283    HA   LEU  39           HA       LEU  39  80.007   0.061  -5.892
  284    HB2  LEU  39           HB2      LEU  39  81.769  -0.975  -4.068
  285    HB3  LEU  39           HB1      LEU  39  80.238  -0.256  -3.608
  286    HG   LEU  39           HG       LEU  39  79.170  -2.485  -3.693
  287   HD11  LEU  39          HD11      LEU  39  82.032  -3.462  -3.990
  288   HD12  LEU  39          HD12      LEU  39  80.800  -3.565  -5.246
  289   HD13  LEU  39          HD13      LEU  39  80.616  -4.485  -3.755
  290   HD21  LEU  39          HD21      LEU  39  81.490  -1.941  -1.851
  291   HD22  LEU  39          HD22      LEU  39  80.498  -3.387  -1.656
  292   HD23  LEU  39          HD23      LEU  39  79.763  -1.793  -1.539
  293    H    ASP  40           HN       ASP  40  82.562  -2.083  -5.112
  294    HA   ASP  40           HA       ASP  40  83.829  -1.764  -7.603
  295    HB2  ASP  40           HB2      ASP  40  84.149  -4.061  -5.612
  296    HB3  ASP  40           HB1      ASP  40  85.284  -3.640  -6.888
  297    H    ASP  41           HN       ASP  41  84.052  -3.682  -9.168
  298    HA   ASP  41           HA       ASP  41  81.486  -4.428 -10.017
  299    HB2  ASP  41           HB2      ASP  41  83.445  -4.186 -11.523
  300    HB3  ASP  41           HB1      ASP  41  84.098  -5.686 -10.864
  301    H    GLU  42           HN       GLU  42  81.869  -5.387  -7.298
  302    HA   GLU  42           HA       GLU  42  81.471  -8.292  -7.774
  303    HB2  GLU  42           HB2      GLU  42  82.449  -8.753  -5.581
  304    HB3  GLU  42           HB1      GLU  42  83.610  -7.867  -6.573
  305    HG2  GLU  42           HG2      GLU  42  82.589  -5.748  -5.458
  306    HG3  GLU  42           HG1      GLU  42  81.943  -6.872  -4.270
  307    HA   PRO  43           HA       PRO  43  77.483  -7.438  -5.942
  308    HB2  PRO  43           HB2      PRO  43  77.344 -10.010  -4.590
  309    HB3  PRO  43           HB1      PRO  43  76.464  -9.487  -6.030
  310    HG2  PRO  43           HG2      PRO  43  78.701 -11.288  -5.863
  311    HG3  PRO  43           HG1      PRO  43  77.765 -10.828  -7.290
  312    HD2  PRO  43           HD2      PRO  43  80.447 -10.076  -6.691
  313    HD3  PRO  43           HD1      PRO  43  79.442  -9.462  -8.022
  314    H    VAL  44           HN       VAL  44  77.062  -6.360  -4.030
  315    HA   VAL  44           HA       VAL  44  79.132  -6.528  -1.987
  316    HB   VAL  44           HB       VAL  44  78.434  -4.363  -2.740
  317   HG11  VAL  44          HG11      VAL  44  75.980  -5.183  -3.119
  318   HG12  VAL  44          HG12      VAL  44  76.271  -3.511  -2.646
  319   HG13  VAL  44          HG13      VAL  44  75.746  -4.686  -1.442
  320   HG21  VAL  44          HG21      VAL  44  77.421  -4.725   0.082
  321   HG22  VAL  44          HG22      VAL  44  78.249  -3.327  -0.603
  322   HG23  VAL  44          HG23      VAL  44  79.132  -4.828  -0.333
  323    H    ARG  45           HN       ARG  45  78.724  -8.545  -1.223
  324    HA   ARG  45           HA       ARG  45  76.868  -8.607   1.015
  325    HB2  ARG  45           HB2      ARG  45  76.964 -10.738  -1.152
  326    HB3  ARG  45           HB1      ARG  45  76.303 -11.033   0.451
  327    HG2  ARG  45           HG2      ARG  45  75.290  -8.749  -1.246
  328    HG3  ARG  45           HG1      ARG  45  74.664 -10.377  -1.456
  329    HD2  ARG  45           HD2      ARG  45  74.628  -8.805   1.141
  330    HD3  ARG  45           HD1      ARG  45  73.250  -9.085   0.091
  331    HE   ARG  45           HE       ARG  45  74.406 -10.971   1.947
  332   HH11  ARG  45          HH11      ARG  45  71.735 -10.254   0.067
  333   HH12  ARG  45          HH12      ARG  45  71.296 -11.897  -0.280
  334   HH21  ARG  45          HH21      ARG  45  74.210 -13.232   1.059
  335   HH22  ARG  45          HH22      ARG  45  72.702 -13.586   0.286
  336    H    THR  46           HN       THR  46  78.548 -11.280  -0.405
  337    HA   THR  46           HA       THR  46  80.388 -12.493   0.184
  338    HB   THR  46           HB       THR  46  82.372 -11.311   0.351
  339    HG1  THR  46           HG1      THR  46  80.905  -9.742   2.140
  340   HG21  THR  46          HG21      THR  46  82.207  -9.459  -1.051
  341   HG22  THR  46          HG22      THR  46  80.716  -8.894  -0.302
  342   HG23  THR  46          HG23      THR  46  80.685 -10.285  -1.388
  343    H    SER  47           HN       SER  47  81.948 -11.216   2.736
  344    HA   SER  47           HA       SER  47  80.245 -12.531   4.783
  345    HB2  SER  47           HB2      SER  47  81.882 -14.041   5.336
  346    HB3  SER  47           HB1      SER  47  82.315 -13.799   3.647
  347    HG   SER  47           HG       SER  47  83.995 -13.544   5.390
  348    H    GLU  48           HN       GLU  48  82.518 -12.349   6.712
  349    HA   GLU  48           HA       GLU  48  81.851  -9.949   7.970
  350    HB2  GLU  48           HB2      GLU  48  84.323 -11.680   8.193
  351    HB3  GLU  48           HB1      GLU  48  84.075 -10.259   9.201
  352    HG2  GLU  48           HG2      GLU  48  83.221 -11.983  10.538
  353    HG3  GLU  48           HG1      GLU  48  81.767 -11.356   9.770
  354    H    ASN  49           HN       ASN  49  84.503 -10.673   5.759
  355    HA   ASN  49           HA       ASN  49  85.785  -8.148   5.904
  356    HB2  ASN  49           HB2      ASN  49  85.756 -10.259   3.740
  357    HB3  ASN  49           HB1      ASN  49  86.806  -8.841   3.713
  358   HD21  ASN  49          HD21      ASN  49  86.949  -9.062   6.818
  359   HD22  ASN  49          HD22      ASN  49  88.084 -10.295   7.068
  360    H    ALA  50           HN       ALA  50  82.728  -8.623   5.045
  361    HA   ALA  50           HA       ALA  50  82.217  -6.149   3.950
  362    HB1  ALA  50           HB1      ALA  50  83.285  -6.367   1.918
  363    HB2  ALA  50           HB2      ALA  50  81.783  -7.177   1.469
  364    HB3  ALA  50           HB3      ALA  50  83.194  -8.127   1.949
  365    H    GLU  51           HN       GLU  51  80.045  -5.891   4.176
  366    HA   GLU  51           HA       GLU  51  78.076  -7.643   3.258
  367    HB2  GLU  51           HB2      GLU  51  78.850  -9.244   4.973
  368    HB3  GLU  51           HB1      GLU  51  78.626  -8.030   6.222
  369    HG2  GLU  51           HG2      GLU  51  76.220  -7.970   5.763
  370    HG3  GLU  51           HG1      GLU  51  76.423  -9.102   4.428
  371    H    VAL  52           HN       VAL  52  75.972  -6.748   3.524
  372    HA   VAL  52           HA       VAL  52  75.936  -4.103   4.792
  373    HB   VAL  52           HB       VAL  52  73.776  -5.317   3.064
  374   HG11  VAL  52          HG11      VAL  52  73.370  -3.151   4.219
  375   HG12  VAL  52          HG12      VAL  52  73.399  -2.972   2.464
  376   HG13  VAL  52          HG13      VAL  52  74.792  -2.481   3.421
  377   HG21  VAL  52          HG21      VAL  52  76.421  -4.139   2.205
  378   HG22  VAL  52          HG22      VAL  52  75.025  -4.212   1.133
  379   HG23  VAL  52          HG23      VAL  52  75.740  -5.700   1.762
  380    H    VAL  53           HN       VAL  53  74.012  -3.523   6.053
  381    HA   VAL  53           HA       VAL  53  72.460  -5.770   7.160
  382    HB   VAL  53           HB       VAL  53  72.913  -4.893   9.471
  383   HG11  VAL  53          HG11      VAL  53  75.023  -6.034   9.682
  384   HG12  VAL  53          HG12      VAL  53  75.433  -5.706   7.998
  385   HG13  VAL  53          HG13      VAL  53  74.142  -6.843   8.388
  386   HG21  VAL  53          HG21      VAL  53  74.894  -3.450   9.750
  387   HG22  VAL  53          HG22      VAL  53  73.672  -2.638   8.769
  388   HG23  VAL  53          HG23      VAL  53  75.083  -3.371   8.000
  389    H    PHE  54           HN       PHE  54  70.457  -5.169   8.011
  390    HA   PHE  54           HA       PHE  54  69.509  -2.511   7.156
  391    HB2  PHE  54           HB2      PHE  54  68.242  -5.186   7.587
  392    HB3  PHE  54           HB1      PHE  54  67.232  -3.770   7.841
  393    HD1  PHE  54           HD1      PHE  54  69.851  -4.847   5.348
  394    HD2  PHE  54           HD2      PHE  54  65.949  -3.158   5.998
  395    HE1  PHE  54           HE1      PHE  54  69.522  -4.645   2.892
  396    HE2  PHE  54           HE2      PHE  54  65.628  -2.956   3.549
  397    HZ   PHE  54           HZ       PHE  54  67.415  -3.700   1.999
  398    H    PHE  55           HN       PHE  55  68.643  -1.037   8.481
  399    HA   PHE  55           HA       PHE  55  68.397  -1.643  11.376
  400    HB2  PHE  55           HB2      PHE  55  69.779   0.672  10.044
  401    HB3  PHE  55           HB1      PHE  55  68.995   0.925  11.590
  402    HD1  PHE  55           HD1      PHE  55  71.246  -1.609   9.965
  403    HD2  PHE  55           HD2      PHE  55  70.350   0.703  13.472
  404    HE1  PHE  55           HE1      PHE  55  73.238  -2.538  11.090
  405    HE2  PHE  55           HE2      PHE  55  72.351  -0.228  14.593
  406    HZ   PHE  55           HZ       PHE  55  73.802  -1.839  13.390
  407    H    GLU  56           HN       GLU  56  66.666  -0.604  12.384
  408    HA   GLU  56           HA       GLU  56  64.440   0.022  12.399
  409    HB2  GLU  56           HB2      GLU  56  65.889   2.140  12.407
  410    HB3  GLU  56           HB1      GLU  56  65.433   2.311  10.717
  411    HG2  GLU  56           HG2      GLU  56  63.077   2.424  11.302
  412    HG3  GLU  56           HG1      GLU  56  63.444   2.059  12.987
  413    H    ASN  57           HN       ASN  57  64.946  -1.851  10.375
  414    HA   ASN  57           HA       ASN  57  63.830  -2.839   8.648
  415    HB2  ASN  57           HB2      ASN  57  61.865  -1.672   9.778
  416    HB3  ASN  57           HB1      ASN  57  62.008  -0.447   8.519
  417   HD21  ASN  57          HD21      ASN  57  62.495  -3.991   8.204
  418   HD22  ASN  57          HD22      ASN  57  61.259  -4.204   7.063
  419    H    GLY  58           HN       GLY  58  66.145  -1.327   7.924
  420    HA2  GLY  58           HA2      GLY  58  67.138  -0.928   5.857
  421    HA3  GLY  58           HA1      GLY  58  65.551  -0.984   5.110
  422    H    LEU  59           HN       LEU  59  65.235   1.071   7.644
  423    HA   LEU  59           HA       LEU  59  65.062   3.363   5.981
  424    HB2  LEU  59           HB2      LEU  59  64.041   2.702   8.401
  425    HB3  LEU  59           HB1      LEU  59  65.360   3.736   8.926
  426    HG   LEU  59           HG       LEU  59  63.263   4.522   6.877
  427   HD11  LEU  59          HD11      LEU  59  63.541   5.148   9.822
  428   HD12  LEU  59          HD12      LEU  59  62.206   4.314   9.027
  429   HD13  LEU  59          HD13      LEU  59  62.477   6.031   8.729
  430   HD21  LEU  59          HD21      LEU  59  65.162   5.839   6.430
  431   HD22  LEU  59          HD22      LEU  59  65.627   5.926   8.128
  432   HD23  LEU  59          HD23      LEU  59  64.244   6.849   7.541
  433    H    ARG  60           HN       ARG  60  67.633   1.825   7.587
  434    HA   ARG  60           HA       ARG  60  69.503   3.935   6.755
  435    HB2  ARG  60           HB2      ARG  60  69.312   2.889   9.585
  436    HB3  ARG  60           HB1      ARG  60  70.702   3.771   8.959
  437    HG2  ARG  60           HG2      ARG  60  69.242   5.682   8.418
  438    HG3  ARG  60           HG1      ARG  60  67.854   4.802   9.065
  439    HD2  ARG  60           HD2      ARG  60  68.955   4.668  11.261
  440    HD3  ARG  60           HD1      ARG  60  70.339   5.554  10.627
  441    HE   ARG  60           HE       ARG  60  67.704   6.656  11.264
  442   HH11  ARG  60          HH11      ARG  60  71.015   7.222  10.926
  443   HH12  ARG  60          HH12      ARG  60  70.863   8.871  10.419
  444   HH21  ARG  60          HH21      ARG  60  67.409   8.725  10.081
  445   HH22  ARG  60          HH22      ARG  60  68.819   9.718   9.926
  446    H    HIS  61           HN       HIS  61  70.317   2.502   5.190
  447    HA   HIS  61           HA       HIS  61  71.194  -0.155   5.997
  448    HB2  HIS  61           HB2      HIS  61  71.638   1.335   3.405
  449    HB3  HIS  61           HB1      HIS  61  71.960  -0.376   3.693
  450    HD1  HIS  61           HD1      HIS  61  69.284   1.962   2.769
  451    HD2  HIS  61           HD2      HIS  61  69.523  -1.911   4.284
  452    HE1  HIS  61           HE1      HIS  61  67.006   0.919   2.427
  453    H    LEU  62           HN       LEU  62  73.224  -0.778   6.542
  454    HA   LEU  62           HA       LEU  62  75.376   1.278   6.440
  455    HB2  LEU  62           HB2      LEU  62  75.388  -1.096   8.305
  456    HB3  LEU  62           HB1      LEU  62  76.296   0.399   8.424
  457    HG   LEU  62           HG       LEU  62  73.304   0.089   8.816
  458   HD11  LEU  62          HD11      LEU  62  75.425   0.921  10.810
  459   HD12  LEU  62          HD12      LEU  62  74.908  -0.754  10.619
  460   HD13  LEU  62          HD13      LEU  62  73.751   0.473  11.138
  461   HD21  LEU  62          HD21      LEU  62  75.117   2.512   8.972
  462   HD22  LEU  62          HD22      LEU  62  73.470   2.467   9.595
  463   HD23  LEU  62          HD23      LEU  62  73.764   2.273   7.868
  464    H    LEU  63           HN       LEU  63  77.171   0.765   5.301
  465    HA   LEU  63           HA       LEU  63  77.512  -2.033   4.341
  466    HB2  LEU  63           HB2      LEU  63  76.998  -0.754   2.428
  467    HB3  LEU  63           HB1      LEU  63  77.918   0.631   2.991
  468    HG   LEU  63           HG       LEU  63  80.033  -0.601   2.610
  469   HD11  LEU  63          HD11      LEU  63  79.918  -2.797   1.418
  470   HD12  LEU  63          HD12      LEU  63  78.178  -2.801   1.672
  471   HD13  LEU  63          HD13      LEU  63  79.265  -2.878   3.053
  472   HD21  LEU  63          HD21      LEU  63  80.034  -0.393   0.270
  473   HD22  LEU  63          HD22      LEU  63  78.708   0.659   0.755
  474   HD23  LEU  63          HD23      LEU  63  78.365  -0.949   0.122
  475    H    LEU  64           HN       LEU  64  79.063  -2.876   5.693
  476    HA   LEU  64           HA       LEU  64  81.306  -1.174   6.492
  477    HB2  LEU  64           HB2      LEU  64  80.034  -3.700   7.479
  478    HB3  LEU  64           HB1      LEU  64  81.707  -3.366   7.924
  479    HG   LEU  64           HG       LEU  64  79.712  -1.139   8.243
  480   HD11  LEU  64          HD11      LEU  64  78.547  -3.092   9.224
  481   HD12  LEU  64          HD12      LEU  64  79.059  -1.950  10.468
  482   HD13  LEU  64          HD13      LEU  64  79.970  -3.440  10.210
  483   HD21  LEU  64          HD21      LEU  64  82.180  -0.931   8.688
  484   HD22  LEU  64          HD22      LEU  64  81.990  -2.099   9.997
  485   HD23  LEU  64          HD23      LEU  64  81.167  -0.540  10.078
  486    H    LEU  65           HN       LEU  65  83.247  -1.365   5.857
  487    HA   LEU  65           HA       LEU  65  84.126  -3.650   4.179
  488    HB2  LEU  65           HB2      LEU  65  85.182  -0.810   4.208
  489    HB3  LEU  65           HB1      LEU  65  85.734  -2.108   3.159
  490    HG   LEU  65           HG       LEU  65  82.915  -0.976   3.200
  491   HD11  LEU  65          HD11      LEU  65  84.749   0.521   2.281
  492   HD12  LEU  65          HD12      LEU  65  83.475   0.114   1.132
  493   HD13  LEU  65          HD13      LEU  65  85.031  -0.707   1.047
  494   HD21  LEU  65          HD21      LEU  65  82.656  -3.172   2.421
  495   HD22  LEU  65          HD22      LEU  65  84.264  -3.218   1.697
  496   HD23  LEU  65          HD23      LEU  65  82.968  -2.310   0.916
  497    H    LYS  66           HN       LYS  66  86.636  -3.983   4.495
  498    HA   LYS  66           HA       LYS  66  87.592  -3.209   7.125
  499    HB2  LYS  66           HB2      LYS  66  86.233  -5.187   7.602
  500    HB3  LYS  66           HB1      LYS  66  87.094  -6.093   6.358
  501    HG2  LYS  66           HG2      LYS  66  89.164  -5.938   7.591
  502    HG3  LYS  66           HG1      LYS  66  88.426  -4.863   8.784
  503    HD2  LYS  66           HD2      LYS  66  86.918  -6.623   9.497
  504    HD3  LYS  66           HD1      LYS  66  87.492  -7.689   8.209
  505    HE2  LYS  66           HE2      LYS  66  88.621  -8.328  10.235
  506    HE3  LYS  66           HE1      LYS  66  89.788  -7.512   9.196
  507    HZ1  LYS  66           HZ1      LYS  66  89.449  -6.876  11.735
  508    HZ2  LYS  66           HZ2      LYS  66  88.286  -5.844  11.052
  509    HZ3  LYS  66           HZ3      LYS  66  89.912  -5.737  10.565
  510    H    ASN  67           HN       ASN  67  89.825  -3.962   7.473
  511    HA   ASN  67           HA       ASN  67  92.022  -3.723   6.681
  512    HB2  ASN  67           HB2      ASN  67  91.444  -6.184   6.729
  513    HB3  ASN  67           HB1      ASN  67  91.137  -6.074   4.996
  514   HD21  ASN  67          HD21      ASN  67  92.959  -7.294   4.251
  515   HD22  ASN  67          HD22      ASN  67  94.565  -6.805   4.516
  516    H    LEU  68           HN       LEU  68  90.760  -1.777   5.471
  517    HA   LEU  68           HA       LEU  68  90.388  -1.875   2.719
  518    HB2  LEU  68           HB2      LEU  68  91.236   0.434   4.461
  519    HB3  LEU  68           HB1      LEU  68  90.675   0.589   2.799
  520    HG   LEU  68           HG       LEU  68  89.068  -0.661   5.040
  521   HD11  LEU  68          HD11      LEU  68  87.866   1.365   5.199
  522   HD12  LEU  68          HD12      LEU  68  88.550   1.998   3.706
  523   HD13  LEU  68          HD13      LEU  68  89.548   1.873   5.155
  524   HD21  LEU  68          HD21      LEU  68  87.235  -0.062   3.172
  525   HD22  LEU  68          HD22      LEU  68  88.110  -1.589   3.148
  526   HD23  LEU  68          HD23      LEU  68  88.621  -0.268   2.098
  527    H    ARG  69           HN       ARG  69  91.801  -2.557   1.318
  528    HA   ARG  69           HA       ARG  69  94.641  -1.823   1.548
  529    HB2  ARG  69           HB2      ARG  69  94.637  -3.490  -0.549
  530    HB3  ARG  69           HB1      ARG  69  94.596  -4.104   1.103
  531    HG2  ARG  69           HG2      ARG  69  92.143  -4.284   0.986
  532    HG3  ARG  69           HG1      ARG  69  92.171  -3.623  -0.647
  533    HD2  ARG  69           HD2      ARG  69  92.006  -6.011  -0.826
  534    HD3  ARG  69           HD1      ARG  69  93.638  -5.554  -1.312
  535    HE   ARG  69           HE       ARG  69  94.174  -6.110   1.177
  536   HH11  ARG  69          HH21      ARG  69  93.482  -8.202  -1.222
  537   HH12  ARG  69          HH22      ARG  69  92.875  -9.495  -0.246
  538   HH21  ARG  69          HH11      ARG  69  92.665  -7.567   2.633
  539   HH22  ARG  69          HH12      ARG  69  92.413  -9.136   1.945
  540    HA   PRO  70           HA       PRO  70  94.436   1.324  -1.518
  541    HB2  PRO  70           HB2      PRO  70  96.511   0.328  -3.270
  542    HB3  PRO  70           HB1      PRO  70  96.643   1.600  -2.049
  543    HG2  PRO  70           HG2      PRO  70  97.557  -1.163  -1.931
  544    HG3  PRO  70           HG1      PRO  70  97.958   0.191  -0.867
  545    HD2  PRO  70           HD2      PRO  70  96.339  -1.984  -0.169
  546    HD3  PRO  70           HD1      PRO  70  96.387  -0.433   0.689
  547    H    GLN  71           HN       GLN  71  94.795  -1.977  -2.698
  548    HA   GLN  71           HA       GLN  71  93.874  -1.701  -5.308
  549    HB2  GLN  71           HB2      GLN  71  94.860  -3.767  -4.530
  550    HB3  GLN  71           HB1      GLN  71  93.557  -4.000  -3.367
  551    HG2  GLN  71           HG2      GLN  71  91.927  -4.253  -5.190
  552    HG3  GLN  71           HG1      GLN  71  93.182  -3.907  -6.382
  553   HE21  GLN  71          HE21      GLN  71  91.667  -6.391  -6.300
  554   HE22  GLN  71          HE22      GLN  71  92.762  -7.643  -5.958
  555    H    ASP  72           HN       ASP  72  91.927  -2.671  -2.437
  556    HA   ASP  72           HA       ASP  72  89.486  -2.865  -3.581
  557    HB2  ASP  72           HB2      ASP  72  89.962  -3.315  -1.210
  558    HB3  ASP  72           HB1      ASP  72  90.078  -1.582  -0.907
  559    H    SER  73           HN       SER  73  91.151   0.224  -2.760
  560    HA   SER  73           HA       SER  73  89.166   2.023  -2.816
  561    HB2  SER  73           HB2      SER  73  91.708   2.318  -4.420
  562    HB3  SER  73           HB1      SER  73  90.726   3.609  -3.732
  563    HG   SER  73           HG       SER  73  91.484   1.672  -1.941
  564    H    CYS  74           HN       CYS  74  87.511   2.409  -4.043
  565    HA   CYS  74           HA       CYS  74  87.660   2.674  -6.882
  566    HB2  CYS  74           HB2      CYS  74  86.913   0.045  -5.743
  567    HB3  CYS  74           HB1      CYS  74  85.826   0.635  -6.995
  568    HG   CYS  74           HG       CYS  74  88.519   1.011  -8.104
  569    H    ARG  75           HN       ARG  75  84.988   2.170  -7.539
  570    HA   ARG  75           HA       ARG  75  83.717   4.424  -6.199
  571    HB2  ARG  75           HB2      ARG  75  82.889   2.733  -8.549
  572    HB3  ARG  75           HB1      ARG  75  81.962   4.100  -7.934
  573    HG2  ARG  75           HG2      ARG  75  83.959   5.555  -8.285
  574    HG3  ARG  75           HG1      ARG  75  84.782   4.178  -9.026
  575    HD2  ARG  75           HD2      ARG  75  82.951   3.968 -10.658
  576    HD3  ARG  75           HD1      ARG  75  82.162   5.375  -9.936
  577    HE   ARG  75           HE       ARG  75  84.783   6.121 -10.653
  578   HH11  ARG  75          HH21      ARG  75  83.739   4.321 -12.987
  579   HH12  ARG  75          HH22      ARG  75  83.149   5.534 -14.071
  580   HH21  ARG  75          HH11      ARG  75  83.182   8.055 -11.687
  581   HH22  ARG  75          HH12      ARG  75  82.835   7.651 -13.335
  582    H    VAL  76           HN       VAL  76  81.862   4.421  -5.077
  583    HA   VAL  76           HA       VAL  76  80.674   1.813  -4.327
  584    HB   VAL  76           HB       VAL  76  80.708   4.331  -2.656
  585   HG11  VAL  76          HG11      VAL  76  79.982   2.875  -0.871
  586   HG12  VAL  76          HG12      VAL  76  80.215   1.446  -1.879
  587   HG13  VAL  76          HG13      VAL  76  78.929   2.588  -2.255
  588   HG21  VAL  76          HG21      VAL  76  82.475   3.180  -1.324
  589   HG22  VAL  76          HG22      VAL  76  83.013   3.571  -2.956
  590   HG23  VAL  76          HG23      VAL  76  82.545   1.919  -2.554
  591    H    THR  77           HN       THR  77  78.827   1.683  -5.568
  592    HA   THR  77           HA       THR  77  77.110   4.115  -5.687
  593    HB   THR  77           HB       THR  77  76.536   3.646  -7.882
  594    HG1  THR  77           HG1      THR  77  75.876   1.614  -7.914
  595   HG21  THR  77          HG21      THR  77  79.016   4.113  -7.565
  596   HG22  THR  77          HG22      THR  77  78.578   3.323  -9.080
  597   HG23  THR  77          HG23      THR  77  79.277   2.381  -7.762
  598    H    PHE  78           HN       PHE  78  75.078   4.001  -5.154
  599    HA   PHE  78           HA       PHE  78  73.858   1.394  -4.450
  600    HB2  PHE  78           HB2      PHE  78  74.461   2.486  -2.399
  601    HB3  PHE  78           HB1      PHE  78  73.852   4.034  -2.974
  602    HD1  PHE  78           HD2      PHE  78  72.542   0.520  -2.716
  603    HD2  PHE  78           HD1      PHE  78  71.846   4.695  -1.985
  604    HE1  PHE  78           HE2      PHE  78  70.333  -0.020  -1.725
  605    HE2  PHE  78           HE1      PHE  78  69.639   4.154  -0.993
  606    HZ   PHE  78           HZ       PHE  78  68.885   1.796  -0.861
  607    H    LEU  79           HN       LEU  79  72.173   1.044  -5.782
  608    HA   LEU  79           HA       LEU  79  70.657   3.391  -6.803
  609    HB2  LEU  79           HB2      LEU  79  71.863   2.367  -8.597
  610    HB3  LEU  79           HB1      LEU  79  71.330   0.759  -8.118
  611    HG   LEU  79           HG       LEU  79  69.051   1.243  -8.743
  612   HD11  LEU  79          HD11      LEU  79  68.606   3.554  -9.829
  613   HD12  LEU  79          HD12      LEU  79  70.070   4.074  -8.990
  614   HD13  LEU  79          HD13      LEU  79  68.687   3.477  -8.070
  615   HD21  LEU  79          HD21      LEU  79  71.062   2.206 -10.787
  616   HD22  LEU  79          HD22      LEU  79  69.371   1.890 -11.165
  617   HD23  LEU  79          HD23      LEU  79  70.409   0.578 -10.606
  618    H    ALA  80           HN       ALA  80  69.093   3.422  -5.242
  619    HA   ALA  80           HA       ALA  80  67.234   1.109  -5.147
  620    HB1  ALA  80           HB1      ALA  80  66.588   2.385  -2.908
  621    HB2  ALA  80           HB2      ALA  80  68.217   3.026  -3.062
  622    HB3  ALA  80           HB3      ALA  80  67.964   1.286  -2.949
  623    H    GLY  81           HN       GLY  81  65.456   1.529  -6.337
  624    HA2  GLY  81           HA2      GLY  81  63.655   2.649  -7.252
  625    HA3  GLY  81           HA1      GLY  81  63.723   3.684  -5.826
  626    H    ASP  82           HN       ASP  82  62.966   5.147  -7.804
  627    HA   ASP  82           HA       ASP  82  64.683   6.028  -9.766
  628    HB2  ASP  82           HB2      ASP  82  62.248   6.533  -9.517
  629    HB3  ASP  82           HB1      ASP  82  62.663   7.709  -8.271
  630    H    MET  83           HN       MET  83  66.140   5.908  -7.131
  631    HA   MET  83           HA       MET  83  67.224   8.665  -7.174
  632    HB2  MET  83           HB2      MET  83  67.005   6.906  -4.727
  633    HB3  MET  83           HB1      MET  83  67.563   8.572  -4.802
  634    HG2  MET  83           HG2      MET  83  65.380   8.998  -4.171
  635    HG3  MET  83           HG1      MET  83  65.107   8.901  -5.908
  636    HE1  MET  83           HE1      MET  83  65.698   6.726  -2.811
  637    HE2  MET  83           HE2      MET  83  64.242   5.746  -2.690
  638    HE3  MET  83           HE3      MET  83  64.145   7.484  -2.435
  639    H    VAL  84           HN       VAL  84  69.421   8.770  -7.465
  640    HA   VAL  84           HA       VAL  84  71.011   6.308  -6.985
  641    HB   VAL  84           HB       VAL  84  70.685   6.385  -9.359
  642   HG11  VAL  84          HG11      VAL  84  71.637   9.259  -9.267
  643   HG12  VAL  84          HG12      VAL  84  69.952   8.771  -9.440
  644   HG13  VAL  84          HG13      VAL  84  71.122   8.366 -10.696
  645   HG21  VAL  84          HG21      VAL  84  73.370   7.705  -8.880
  646   HG22  VAL  84          HG22      VAL  84  72.948   6.529 -10.125
  647   HG23  VAL  84          HG23      VAL  84  73.042   6.029  -8.438
  648    H    THR  85           HN       THR  85  72.890   6.600  -5.958
  649    HA   THR  85           HA       THR  85  74.137   9.255  -5.822
  650    HB   THR  85           HB       THR  85  74.054   9.458  -3.487
  651    HG1  THR  85           HG1      THR  85  74.698   7.553  -2.719
  652   HG21  THR  85          HG21      THR  85  71.483   7.977  -4.134
  653   HG22  THR  85          HG22      THR  85  71.794   9.658  -4.561
  654   HG23  THR  85          HG23      THR  85  71.714   9.182  -2.871
  655    H    SER  86           HN       SER  86  76.374   9.155  -5.534
  656    HA   SER  86           HA       SER  86  77.629   6.557  -4.969
  657    HB2  SER  86           HB2      SER  86  78.308   8.115  -7.470
  658    HB3  SER  86           HB1      SER  86  78.934   6.540  -6.986
  659    HG   SER  86           HG       SER  86  77.101   5.623  -7.569
  660    H    ALA  87           HN       ALA  87  79.672   6.720  -4.077
  661    HA   ALA  87           HA       ALA  87  80.903   9.404  -3.882
  662    HB1  ALA  87           HB1      ALA  87  80.408   7.490  -1.587
  663    HB2  ALA  87           HB2      ALA  87  79.629   9.056  -1.824
  664    HB3  ALA  87           HB3      ALA  87  81.358   8.971  -1.494
  665    H    PHE  88           HN       PHE  88  83.131   9.419  -3.665
  666    HA   PHE  88           HA       PHE  88  84.493   7.150  -4.767
  667    HB2  PHE  88           HB2      PHE  88  85.689   9.675  -3.622
  668    HB3  PHE  88           HB1      PHE  88  86.444   8.553  -4.759
  669    HD1  PHE  88           HD2      PHE  88  85.299   8.195  -7.036
  670    HD2  PHE  88           HD1      PHE  88  84.367  11.460  -4.406
  671    HE1  PHE  88           HE2      PHE  88  84.294   9.440  -8.932
  672    HE2  PHE  88           HE1      PHE  88  83.362  12.704  -6.298
  673    HZ   PHE  88           HZ       PHE  88  83.325  11.692  -8.562
  674    H    LEU  89           HN       LEU  89  86.444   6.256  -3.887
  675    HA   LEU  89           HA       LEU  89  86.500   6.058  -0.931
  676    HB2  LEU  89           HB2      LEU  89  85.616   3.972  -1.830
  677    HB3  LEU  89           HB1      LEU  89  86.948   3.870  -2.976
  678    HG   LEU  89           HG       LEU  89  88.555   3.577  -1.181
  679   HD11  LEU  89          HD11      LEU  89  86.197   4.278   0.554
  680   HD12  LEU  89          HD12      LEU  89  87.851   4.874   0.634
  681   HD13  LEU  89          HD13      LEU  89  87.473   3.251   1.203
  682   HD21  LEU  89          HD21      LEU  89  87.928   1.387  -0.510
  683   HD22  LEU  89          HD22      LEU  89  87.040   1.637  -2.014
  684   HD23  LEU  89          HD23      LEU  89  86.213   1.800  -0.465
  685    H    THR  90           HN       THR  90  88.421   6.484  -0.035
  686    HA   THR  90           HA       THR  90  90.817   6.576  -1.790
  687    HB   THR  90           HB       THR  90  90.102   8.567   0.374
  688    HG1  THR  90           HG1      THR  90  89.462   9.847  -1.213
  689   HG21  THR  90          HG21      THR  90  92.062   9.790  -0.629
  690   HG22  THR  90          HG22      THR  90  92.415   8.334  -1.560
  691   HG23  THR  90          HG23      THR  90  92.490   8.292   0.200
  692    H    VAL  91           HN       VAL  91  92.231   5.138  -1.097
  693    HA   VAL  91           HA       VAL  91  92.692   4.889   1.823
  694    HB   VAL  91           HB       VAL  91  92.606   2.559  -0.111
  695   HG11  VAL  91          HG11      VAL  91  92.931   1.171   1.799
  696   HG12  VAL  91          HG12      VAL  91  92.655   2.510   2.912
  697   HG13  VAL  91          HG13      VAL  91  94.130   2.452   1.953
  698   HG21  VAL  91          HG21      VAL  91  90.515   1.938   0.941
  699   HG22  VAL  91          HG22      VAL  91  90.355   3.583   0.344
  700   HG23  VAL  91          HG23      VAL  91  90.620   3.292   2.064
  701    H    ARG  92           HN       ARG  92  94.777   5.460   2.201
  702    HA   ARG  92           HA       ARG  92  96.742   5.140   0.039
  703    HB2  ARG  92           HB2      ARG  92  96.474   7.357   1.094
  704    HB3  ARG  92           HB1      ARG  92  96.948   6.657   2.643
  705    HG2  ARG  92           HG2      ARG  92  99.131   6.053   1.761
  706    HG3  ARG  92           HG1      ARG  92  98.665   6.584   0.143
  707    HD2  ARG  92           HD2      ARG  92  98.775   8.380   2.584
  708    HD3  ARG  92           HD1      ARG  92 100.024   8.293   1.346
  709    HE   ARG  92           HE       ARG  92  97.398   9.540   1.084
  710   HH11  ARG  92          HH11      ARG  92 100.159   8.184  -0.497
  711   HH12  ARG  92          HH12      ARG  92  99.970   9.129  -1.936
  712   HH21  ARG  92          HH21      ARG  92  97.182  10.833  -0.777
  713   HH22  ARG  92          HH22      ARG  92  98.288  10.632  -2.092
  714    H    GLY  93           HN       GLY  93  98.489   3.885   0.166
  715    HA2  GLY  93           HA2      GLY  93  99.371   2.682   2.645
  716    HA3  GLY  93           HA1      GLY  93  98.630   1.551   1.517
  717    H    GLY  94           HN       GLY  94  99.625   3.256  -0.764
  718    HA2  GLY  94           HA2      GLY  94 102.144   1.878  -1.099
  719    HA3  GLY  94           HA1      GLY  94 101.349   2.909  -2.283
  720    H    LEU  95           HN       LEU  95 104.029   2.640  -0.462
  721    HA   LEU  95           HA       LEU  95 104.359   5.520   0.099
  722    HB2  LEU  95           HB2      LEU  95 106.177   3.210   0.810
  723    HB3  LEU  95           HB1      LEU  95 106.251   4.856   1.435
  724    HG   LEU  95           HG       LEU  95 103.942   2.931   1.830
  725   HD11  LEU  95          HD11      LEU  95 106.102   2.426   3.060
  726   HD12  LEU  95          HD12      LEU  95 104.705   2.707   4.097
  727   HD13  LEU  95          HD13      LEU  95 105.912   3.976   3.879
  728   HD21  LEU  95          HD21      LEU  95 104.411   5.816   2.569
  729   HD22  LEU  95          HD22      LEU  95 103.417   4.804   3.614
  730   HD23  LEU  95          HD23      LEU  95 102.952   5.054   1.934
  731    H    GLU  96           HN       GLU  96 105.752   6.772  -1.049
  732    HA   GLU  96           HA       GLU  96 106.946   5.656  -3.458
  733    HB2  GLU  96           HB2      GLU  96 106.767   8.467  -2.358
  734    HB3  GLU  96           HB1      GLU  96 107.614   8.062  -3.851
  735    HG2  GLU  96           HG2      GLU  96 105.586   7.183  -4.834
  736    HG3  GLU  96           HG1      GLU  96 104.711   7.373  -3.315
  737    H    HIS  97           HN       HIS  97 107.924   6.106  -0.255
  738    HA   HIS  97           HA       HIS  97 110.746   6.574  -0.879
  739    HB2  HIS  97           HB2      HIS  97 109.277   6.198   1.740
  740    HB3  HIS  97           HB1      HIS  97 111.013   6.484   1.606
  741    HD1  HIS  97           HD1      HIS  97 111.725   8.798   0.446
  742    HD2  HIS  97           HD2      HIS  97 107.710   8.511   1.531
  743    HE1  HIS  97           HE1      HIS  97 110.801  11.154   0.398
  744    H    HIS  98           HN       HIS  98 108.879   3.982  -1.184
  745    HA   HIS  98           HA       HIS  98 110.424   2.003   0.253
  746    HB2  HIS  98           HB2      HIS  98 107.993   1.727  -0.255
  747    HB3  HIS  98           HB1      HIS  98 108.408   1.601  -1.967
  748    HD1  HIS  98           HD1      HIS  98 108.612  -0.258   1.274
  749    HD2  HIS  98           HD2      HIS  98 109.797  -0.799  -2.686
  750    HE1  HIS  98           HE1      HIS  98 109.327  -2.679   1.066
  751    H    HIS  99           HN       HIS  99 112.188   0.960  -0.442
  752    HA   HIS  99           HA       HIS  99 112.867   1.066  -3.334
  753    HB2  HIS  99           HB2      HIS  99 114.269   2.603  -1.889
  754    HB3  HIS  99           HB1      HIS  99 114.889   1.161  -1.088
  755    HD1  HIS  99           HD1      HIS  99 114.396   2.263  -4.720
  756    HD2  HIS  99           HD2      HIS  99 117.182   0.290  -2.333
  757    HE1  HIS  99           HE1      HIS  99 116.345   1.684  -6.228
  758    H    HIS 100           HN       HIS 100 112.847  -0.880  -4.173
  759    HA   HIS 100           HA       HIS 100 113.400  -3.245  -2.472
  760    HB2  HIS 100           HB2      HIS 100 111.182  -3.074  -3.665
  761    HB3  HIS 100           HB1      HIS 100 112.068  -3.150  -5.187
  762    HD1  HIS 100           HD1      HIS 100 111.707  -5.190  -1.986
  763    HD2  HIS 100           HD2      HIS 100 112.556  -5.733  -6.029
  764    HE1  HIS 100           HE1      HIS 100 111.876  -7.693  -2.353
  765    H    HIS 101           HN       HIS 101 115.228  -1.293  -4.081
  766    HA   HIS 101           HA       HIS 101 117.083  -1.406  -5.443
  767    HB2  HIS 101           HB2      HIS 101 117.846  -2.661  -3.442
  768    HB3  HIS 101           HB1      HIS 101 117.292  -4.156  -4.194
  769    HD1  HIS 101           HD1      HIS 101 119.713  -1.298  -4.890
  770    HD2  HIS 101           HD2      HIS 101 119.148  -5.293  -5.934
  771    HE1  HIS 101           HE1      HIS 101 121.740  -1.975  -6.253
  772    H    HIS 102           HN       HIS 102 114.424  -2.725  -6.339
  773    HA   HIS 102           HA       HIS 102 114.878  -4.886  -8.030
  774    HB2  HIS 102           HB2      HIS 102 112.651  -3.857  -7.464
  775    HB3  HIS 102           HB1      HIS 102 113.028  -2.558  -8.595
  776    HD1  HIS 102           HD1      HIS 102 112.729  -3.025 -11.067
  777    HD2  HIS 102           HD2      HIS 102 112.350  -6.460  -8.736
  778    HE1  HIS 102           HE1      HIS 102 111.835  -4.834 -12.598
  Start of MODEL    6
    1    H1   THR   1           HT1      THR   1  56.762   1.025  -1.768
    2    H2   THR   1           HT2      THR   1  57.852   1.060  -3.067
    3    H3   THR   1           HT3      THR   1  57.247  -0.423  -2.501
    4    HA   THR   1           HA       THR   1  56.252   1.006  -4.582
    5    HB   THR   1           HB       THR   1  55.945  -1.389  -4.213
    6    HG1  THR   1           HG1      THR   1  54.170  -1.275  -5.294
    7   HG21  THR   1          HG21      THR   1  54.058  -0.595  -1.978
    8   HG22  THR   1          HG22      THR   1  55.678  -1.244  -1.741
    9   HG23  THR   1          HG23      THR   1  54.433  -2.236  -2.498
   10    H    ALA   2           HN       ALA   2  56.319   2.693  -2.145
   11    HA   ALA   2           HA       ALA   2  53.644   3.853  -2.408
   12    HB1  ALA   2           HB1      ALA   2  54.823   3.225   0.308
   13    HB2  ALA   2           HB2      ALA   2  53.568   2.257  -0.469
   14    HB3  ALA   2           HB3      ALA   2  53.241   3.932  -0.029
   15    H    LYS   3           HN       LYS   3  56.908   4.045  -1.046
   16    HA   LYS   3           HA       LYS   3  57.194   6.782  -1.921
   17    HB2  LYS   3           HB2      LYS   3  57.757   7.594   0.455
   18    HB3  LYS   3           HB1      LYS   3  56.047   7.415   0.051
   19    HG2  LYS   3           HG2      LYS   3  55.820   5.443   1.314
   20    HG3  LYS   3           HG1      LYS   3  57.550   5.117   1.294
   21    HD2  LYS   3           HD2      LYS   3  56.672   5.944   3.516
   22    HD3  LYS   3           HD1      LYS   3  57.994   6.897   2.846
   23    HE2  LYS   3           HE2      LYS   3  56.072   8.264   3.762
   24    HE3  LYS   3           HE1      LYS   3  56.478   8.615   2.085
   25    HZ1  LYS   3           HZ1      LYS   3  54.433   6.598   2.763
   26    HZ2  LYS   3           HZ2      LYS   3  54.631   7.465   1.316
   27    HZ3  LYS   3           HZ3      LYS   3  54.036   8.245   2.704
   28    H    ASN   4           HN       ASN   4  59.308   7.329  -2.219
   29    HA   ASN   4           HA       ASN   4  61.408   5.963  -0.736
   30    HB2  ASN   4           HB2      ASN   4  62.626   5.865  -3.077
   31    HB3  ASN   4           HB1      ASN   4  61.584   4.542  -2.569
   32   HD21  ASN   4          HD21      ASN   4  61.093   4.018  -4.834
   33   HD22  ASN   4          HD22      ASN   4  60.045   5.000  -5.745
   34    H    THR   5           HN       THR   5  62.318   7.765   0.205
   35    HA   THR   5           HA       THR   5  62.990  10.023  -1.590
   36    HB   THR   5           HB       THR   5  61.461  10.175   1.009
   37    HG1  THR   5           HG1      THR   5  60.509  11.728  -0.847
   38   HG21  THR   5          HG21      THR   5  62.982  11.932   1.309
   39   HG22  THR   5          HG22      THR   5  61.668  12.724   0.443
   40   HG23  THR   5          HG23      THR   5  63.124  12.239  -0.422
   41    H    VAL   6           HN       VAL   6  65.128   9.939  -1.530
   42    HA   VAL   6           HA       VAL   6  66.599   9.037   0.751
   43    HB   VAL   6           HB       VAL   6  67.416   8.770  -1.566
   44   HG11  VAL   6          HG11      VAL   6  68.173  10.611  -2.856
   45   HG12  VAL   6          HG12      VAL   6  68.152  11.699  -1.464
   46   HG13  VAL   6          HG13      VAL   6  66.636  11.160  -2.191
   47   HG21  VAL   6          HG21      VAL   6  69.287  10.478   0.091
   48   HG22  VAL   6          HG22      VAL   6  69.725   9.189  -1.034
   49   HG23  VAL   6          HG23      VAL   6  68.914   8.799   0.484
   50    H    VAL   7           HN       VAL   7  67.313  10.103   2.420
   51    HA   VAL   7           HA       VAL   7  66.842  12.952   2.681
   52    HB   VAL   7           HB       VAL   7  68.148  11.032   4.622
   53   HG11  VAL   7          HG11      VAL   7  68.551  13.244   5.364
   54   HG12  VAL   7          HG12      VAL   7  67.104  12.754   6.246
   55   HG13  VAL   7          HG13      VAL   7  66.962  13.803   4.835
   56   HG21  VAL   7          HG21      VAL   7  65.867  10.280   3.874
   57   HG22  VAL   7          HG22      VAL   7  65.225  11.829   4.427
   58   HG23  VAL   7          HG23      VAL   7  65.932  10.702   5.584
   59    H    ARG   8           HN       ARG   8  69.542  10.689   2.723
   60    HA   ARG   8           HA       ARG   8  71.352  12.803   1.803
   61    HB2  ARG   8           HB2      ARG   8  71.893  12.923   4.075
   62    HB3  ARG   8           HB1      ARG   8  71.646  11.199   4.328
   63    HG2  ARG   8           HG2      ARG   8  73.690  10.635   3.229
   64    HG3  ARG   8           HG1      ARG   8  73.854  12.246   2.530
   65    HD2  ARG   8           HD2      ARG   8  73.911  11.651   5.503
   66    HD3  ARG   8           HD1      ARG   8  75.353  11.840   4.506
   67    HE   ARG   8           HE       ARG   8  73.816  14.101   4.055
   68   HH11  ARG   8          HH21      ARG   8  74.218  12.688   7.098
   69   HH12  ARG   8          HH22      ARG   8  74.949  14.076   7.836
   70   HH21  ARG   8          HH11      ARG   8  75.237  15.826   4.854
   71   HH22  ARG   8          HH12      ARG   8  75.521  15.859   6.560
   72    H    GLY   9           HN       GLY   9  72.777  12.144   0.391
   73    HA2  GLY   9           HA2      GLY   9  72.725   9.359  -0.502
   74    HA3  GLY   9           HA1      GLY   9  73.379  10.733  -1.399
   75    H    LEU  10           HN       LEU  10  75.047   8.733  -1.424
   76    HA   LEU  10           HA       LEU  10  76.770   8.560   0.870
   77    HB2  LEU  10           HB2      LEU  10  77.108   7.630  -1.991
   78    HB3  LEU  10           HB1      LEU  10  78.209   7.232  -0.678
   79    HG   LEU  10           HG       LEU  10  75.237   6.653  -0.574
   80   HD11  LEU  10          HD11      LEU  10  76.095   5.381  -2.433
   81   HD12  LEU  10          HD12      LEU  10  75.927   4.274  -1.074
   82   HD13  LEU  10          HD13      LEU  10  77.518   4.895  -1.516
   83   HD21  LEU  10          HD21      LEU  10  75.986   6.492   1.608
   84   HD22  LEU  10          HD22      LEU  10  77.610   6.000   1.155
   85   HD23  LEU  10          HD23      LEU  10  76.281   4.844   1.075
   86    H    GLU  11           HN       GLU  11  78.971   9.273   0.959
   87    HA   GLU  11           HA       GLU  11  79.682  11.490  -0.875
   88    HB2  GLU  11           HB2      GLU  11  80.560  12.765   1.008
   89    HB3  GLU  11           HB1      GLU  11  78.856  12.405   1.290
   90    HG2  GLU  11           HG2      GLU  11  79.527  10.468   2.701
   91    HG3  GLU  11           HG1      GLU  11  81.218  10.913   2.476
   92    H    ASN  12           HN       ASN  12  82.125  12.064  -0.305
   93    HA   ASN  12           HA       ASN  12  83.634   9.780  -1.070
   94    HB2  ASN  12           HB2      ASN  12  85.580  11.224  -0.851
   95    HB3  ASN  12           HB1      ASN  12  84.276  12.116  -1.632
   96   HD21  ASN  12          HD21      ASN  12  86.183  13.684  -0.446
   97   HD22  ASN  12          HD22      ASN  12  85.609  14.344   1.010
   98    H    VAL  13           HN       VAL  13  85.291   8.701   0.157
   99    HA   VAL  13           HA       VAL  13  85.047   8.972   3.103
  100    HB   VAL  13           HB       VAL  13  84.911   6.382   1.553
  101   HG11  VAL  13          HG11      VAL  13  85.453   6.981   4.462
  102   HG12  VAL  13          HG12      VAL  13  86.319   5.888   3.384
  103   HG13  VAL  13          HG13      VAL  13  84.711   5.458   3.977
  104   HG21  VAL  13          HG21      VAL  13  82.708   7.214   1.694
  105   HG22  VAL  13          HG22      VAL  13  82.982   7.945   3.274
  106   HG23  VAL  13          HG23      VAL  13  82.818   6.196   3.132
  107    H    GLU  14           HN       GLU  14  86.890   8.927   4.164
  108    HA   GLU  14           HA       GLU  14  89.371   8.224   2.687
  109    HB2  GLU  14           HB2      GLU  14  89.109  10.639   3.262
  110    HB3  GLU  14           HB1      GLU  14  89.022  10.190   4.961
  111    HG2  GLU  14           HG2      GLU  14  91.259   9.208   4.853
  112    HG3  GLU  14           HG1      GLU  14  91.346   9.560   3.123
  113    H    ALA  15           HN       ALA  15  90.426   6.498   3.467
  114    HA   ALA  15           HA       ALA  15  90.380   5.930   6.352
  115    HB1  ALA  15           HB1      ALA  15  89.283   4.120   4.200
  116    HB2  ALA  15           HB2      ALA  15  88.564   4.557   5.748
  117    HB3  ALA  15           HB3      ALA  15  89.940   3.451   5.695
  118    H    LEU  16           HN       LEU  16  92.367   5.411   7.030
  119    HA   LEU  16           HA       LEU  16  94.536   5.164   5.192
  120    HB2  LEU  16           HB2      LEU  16  94.270   4.935   8.187
  121    HB3  LEU  16           HB1      LEU  16  95.803   4.599   7.380
  122    HG   LEU  16           HG       LEU  16  95.773   6.839   6.357
  123   HD11  LEU  16          HD11      LEU  16  94.015   8.461   7.306
  124   HD12  LEU  16          HD12      LEU  16  93.119   7.020   7.792
  125   HD13  LEU  16          HD13      LEU  16  93.463   7.317   6.087
  126   HD21  LEU  16          HD21      LEU  16  95.241   6.976   9.341
  127   HD22  LEU  16          HD22      LEU  16  96.162   8.135   8.385
  128   HD23  LEU  16          HD23      LEU  16  96.780   6.498   8.616
  129    H    GLU  17           HN       GLU  17  96.105   3.344   5.204
  130    HA   GLU  17           HA       GLU  17  94.948   0.949   4.429
  131    HB2  GLU  17           HB2      GLU  17  97.278   1.518   3.925
  132    HB3  GLU  17           HB1      GLU  17  97.700   1.365   5.631
  133    HG2  GLU  17           HG2      GLU  17  97.049  -1.014   5.585
  134    HG3  GLU  17           HG1      GLU  17  96.599  -0.862   3.887
  135    H    GLY  18           HN       GLY  18  94.269  -0.850   5.454
  136    HA2  GLY  18           HA2      GLY  18  93.604  -2.253   7.127
  137    HA3  GLY  18           HA1      GLY  18  94.923  -1.588   8.107
  138    H    GLY  19           HN       GLY  19  92.756   0.677   6.751
  139    HA2  GLY  19           HA2      GLY  19  91.776   1.429   9.388
  140    HA3  GLY  19           HA1      GLY  19  91.540   2.316   7.890
  141    H    GLU  20           HN       GLU  20  89.339   2.549   8.697
  142    HA   GLU  20           HA       GLU  20  87.628   0.265   7.896
  143    HB2  GLU  20           HB2      GLU  20  87.723   0.426  10.374
  144    HB3  GLU  20           HB1      GLU  20  87.165   2.095  10.269
  145    HG2  GLU  20           HG2      GLU  20  85.091   1.340   9.189
  146    HG3  GLU  20           HG1      GLU  20  85.647  -0.326   9.260
  147    H    ALA  21           HN       ALA  21  85.798   0.833   6.743
  148    HA   ALA  21           HA       ALA  21  85.296   3.720   6.271
  149    HB1  ALA  21           HB1      ALA  21  85.036   3.174   3.852
  150    HB2  ALA  21           HB2      ALA  21  85.594   1.544   4.191
  151    HB3  ALA  21           HB3      ALA  21  86.678   2.910   4.437
  152    H    LEU  22           HN       LEU  22  83.163   4.254   6.330
  153    HA   LEU  22           HA       LEU  22  81.177   2.052   6.246
  154    HB2  LEU  22           HB2      LEU  22  80.810   4.637   7.775
  155    HB3  LEU  22           HB1      LEU  22  79.832   3.184   7.861
  156    HG   LEU  22           HG       LEU  22  81.203   3.270   9.834
  157   HD11  LEU  22          HD11      LEU  22  80.932   1.071   8.462
  158   HD12  LEU  22          HD12      LEU  22  82.080   1.112   9.799
  159   HD13  LEU  22          HD13      LEU  22  82.654   1.260   8.139
  160   HD21  LEU  22          HD21      LEU  22  83.044   4.666   8.389
  161   HD22  LEU  22          HD22      LEU  22  83.818   3.093   8.438
  162   HD23  LEU  22          HD23      LEU  22  83.392   3.897   9.933
  163    H    PHE  23           HN       PHE  23  79.960   2.163   4.432
  164    HA   PHE  23           HA       PHE  23  79.374   4.831   3.276
  165    HB2  PHE  23           HB2      PHE  23  79.643   2.056   2.126
  166    HB3  PHE  23           HB1      PHE  23  78.654   3.250   1.290
  167    HD1  PHE  23           HD1      PHE  23  82.070   2.803   2.787
  168    HD2  PHE  23           HD2      PHE  23  79.659   4.771  -0.176
  169    HE1  PHE  23           HE1      PHE  23  84.114   3.789   1.769
  170    HE2  PHE  23           HE2      PHE  23  81.696   5.758  -1.180
  171    HZ   PHE  23           HZ       PHE  23  83.921   5.265  -0.211
  172    H    GLU  24           HN       GLU  24  77.531   5.394   4.474
  173    HA   GLU  24           HA       GLU  24  75.197   3.609   4.092
  174    HB2  GLU  24           HB2      GLU  24  74.563   3.739   6.296
  175    HB3  GLU  24           HB1      GLU  24  76.297   3.917   6.512
  176    HG2  GLU  24           HG2      GLU  24  75.401   5.666   7.815
  177    HG3  GLU  24           HG1      GLU  24  75.845   6.473   6.310
  178    H    CYS  25           HN       CYS  25  73.167   4.577   4.066
  179    HA   CYS  25           HA       CYS  25  73.032   7.466   3.545
  180    HB2  CYS  25           HB2      CYS  25  73.167   6.817   1.307
  181    HB3  CYS  25           HB1      CYS  25  72.404   5.260   1.601
  182    HG   CYS  25           HG       CYS  25  70.918   7.937   1.132
  183    H    GLN  26           HN       GLN  26  71.004   8.359   4.016
  184    HA   GLN  26           HA       GLN  26  69.173   6.572   5.525
  185    HB2  GLN  26           HB2      GLN  26  69.700   9.547   5.741
  186    HB3  GLN  26           HB1      GLN  26  68.393   8.718   6.584
  187    HG2  GLN  26           HG2      GLN  26  70.036   7.268   7.722
  188    HG3  GLN  26           HG1      GLN  26  71.349   8.095   6.880
  189   HE21  GLN  26          HE21      GLN  26  72.349   9.465   8.389
  190   HE22  GLN  26          HE22      GLN  26  71.515  10.488   9.462
  191    H    LEU  27           HN       LEU  27  67.292   6.117   4.529
  192    HA   LEU  27           HA       LEU  27  66.086   8.187   2.782
  193    HB2  LEU  27           HB2      LEU  27  65.296   6.128   1.378
  194    HB3  LEU  27           HB1      LEU  27  66.933   6.743   1.148
  195    HG   LEU  27           HG       LEU  27  67.843   5.032   2.623
  196   HD11  LEU  27          HD11      LEU  27  66.186   4.701   4.291
  197   HD12  LEU  27          HD12      LEU  27  66.204   3.191   3.393
  198   HD13  LEU  27          HD13      LEU  27  64.928   4.372   3.093
  199   HD21  LEU  27          HD21      LEU  27  65.943   4.085   0.479
  200   HD22  LEU  27          HD22      LEU  27  66.997   2.965   1.335
  201   HD23  LEU  27          HD23      LEU  27  67.693   4.273   0.385
  202    H    SER  28           HN       SER  28  63.818   7.345   2.086
  203    HA   SER  28           HA       SER  28  62.442   6.326   4.484
  204    HB2  SER  28           HB2      SER  28  61.971   8.701   4.231
  205    HB3  SER  28           HB1      SER  28  61.494   8.445   2.557
  206    HG   SER  28           HG       SER  28  59.793   7.165   3.284
  207    H    GLN  29           HN       GLN  29  61.959   4.291   3.983
  208    HA   GLN  29           HA       GLN  29  59.931   3.632   2.195
  209    HB2  GLN  29           HB2      GLN  29  61.410   2.170   0.644
  210    HB3  GLN  29           HB1      GLN  29  61.313   3.901   0.322
  211    HG2  GLN  29           HG2      GLN  29  63.453   4.322   1.217
  212    HG3  GLN  29           HG1      GLN  29  63.490   2.800   2.097
  213   HE21  GLN  29          HE21      GLN  29  65.097   1.527   1.140
  214   HE22  GLN  29          HE22      GLN  29  65.283   1.308  -0.530
  215    HA   PRO  30           HA       PRO  30  60.908   0.433   5.349
  216    HB2  PRO  30           HB2      PRO  30  58.104  -0.292   5.439
  217    HB3  PRO  30           HB1      PRO  30  59.063   0.515   6.685
  218    HG2  PRO  30           HG2      PRO  30  57.026   1.673   5.113
  219    HG3  PRO  30           HG1      PRO  30  58.142   2.514   6.193
  220    HD2  PRO  30           HD2      PRO  30  58.148   2.423   3.248
  221    HD3  PRO  30           HD1      PRO  30  59.003   3.533   4.339
  222    H    GLU  31           HN       GLU  31  59.435   0.418   2.260
  223    HA   GLU  31           HA       GLU  31  60.361  -2.295   1.766
  224    HB2  GLU  31           HB2      GLU  31  58.222  -2.984   0.720
  225    HB3  GLU  31           HB1      GLU  31  58.040  -2.702   2.448
  226    HG2  GLU  31           HG2      GLU  31  57.180  -0.421   1.958
  227    HG3  GLU  31           HG1      GLU  31  57.299  -0.766   0.234
  228    H    VAL  32           HN       VAL  32  61.261  -2.396  -0.240
  229    HA   VAL  32           HA       VAL  32  60.998   0.013  -1.901
  230    HB   VAL  32           HB       VAL  32  63.148  -0.370  -2.653
  231   HG11  VAL  32          HG11      VAL  32  64.480  -0.603  -0.709
  232   HG12  VAL  32          HG12      VAL  32  63.314  -1.683   0.054
  233   HG13  VAL  32          HG13      VAL  32  62.933   0.027  -0.143
  234   HG21  VAL  32          HG21      VAL  32  62.521  -3.261  -2.160
  235   HG22  VAL  32          HG22      VAL  32  64.208  -2.775  -2.002
  236   HG23  VAL  32          HG23      VAL  32  63.355  -2.511  -3.520
  237    H    ALA  33           HN       ALA  33  61.392  -0.294  -4.205
  238    HA   ALA  33           HA       ALA  33  59.567  -2.353  -5.313
  239    HB1  ALA  33           HB1      ALA  33  58.860  -0.017  -5.643
  240    HB2  ALA  33           HB2      ALA  33  59.236  -0.797  -7.181
  241    HB3  ALA  33           HB3      ALA  33  60.386   0.328  -6.459
  242    H    ALA  34           HN       ALA  34  62.692  -0.738  -5.832
  243    HA   ALA  34           HA       ALA  34  63.769  -3.111  -7.051
  244    HB1  ALA  34           HB1      ALA  34  63.331  -0.663  -8.773
  245    HB2  ALA  34           HB2      ALA  34  62.579  -2.248  -8.989
  246    HB3  ALA  34           HB3      ALA  34  64.318  -2.055  -9.225
  247    H    HIS  35           HN       HIS  35  65.868  -3.216  -6.523
  248    HA   HIS  35           HA       HIS  35  67.483  -0.782  -6.458
  249    HB2  HIS  35           HB2      HIS  35  68.205  -1.204  -4.122
  250    HB3  HIS  35           HB1      HIS  35  66.495  -0.785  -4.241
  251    HD1  HIS  35           HD1      HIS  35  64.877  -3.073  -4.480
  252    HD2  HIS  35           HD2      HIS  35  68.608  -3.505  -2.680
  253    HE1  HIS  35           HE1      HIS  35  64.776  -5.216  -3.129
  254    H    THR  36           HN       THR  36  69.509  -1.144  -7.038
  255    HA   THR  36           HA       THR  36  70.647  -3.877  -6.859
  256    HB   THR  36           HB       THR  36  71.001  -1.874  -9.109
  257    HG1  THR  36           HG1      THR  36  70.099  -4.364  -9.702
  258   HG21  THR  36          HG21      THR  36  73.044  -2.966  -9.098
  259   HG22  THR  36          HG22      THR  36  72.110  -4.106 -10.061
  260   HG23  THR  36          HG23      THR  36  72.390  -4.426  -8.348
  261    H    TRP  37           HN       TRP  37  72.507  -3.902  -5.715
  262    HA   TRP  37           HA       TRP  37  73.977  -1.338  -5.337
  263    HB2  TRP  37           HB2      TRP  37  72.722  -2.436  -3.364
  264    HB3  TRP  37           HB1      TRP  37  73.995  -3.643  -3.399
  265    HD1  TRP  37           HD1      TRP  37  76.086  -1.053  -4.333
  266    HE1  TRP  37           HE1      TRP  37  77.040   0.314  -2.368
  267    HE3  TRP  37           HE3      TRP  37  72.807  -2.381  -0.644
  268    HZ2  TRP  37           HZ2      TRP  37  76.493   0.793   0.394
  269    HZ3  TRP  37           HZ3      TRP  37  73.049  -1.449   1.640
  270    HH2  TRP  37           HH2      TRP  37  74.877   0.143   2.169
  271    H    LEU  38           HN       LEU  38  75.531  -1.544  -6.873
  272    HA   LEU  38           HA       LEU  38  77.423  -3.817  -6.563
  273    HB2  LEU  38           HB2      LEU  38  76.680  -2.413  -9.139
  274    HB3  LEU  38           HB1      LEU  38  77.876  -3.696  -8.969
  275    HG   LEU  38           HG       LEU  38  74.940  -3.978  -8.267
  276   HD11  LEU  38          HD11      LEU  38  76.453  -5.102 -10.650
  277   HD12  LEU  38          HD12      LEU  38  75.456  -3.648 -10.723
  278   HD13  LEU  38          HD13      LEU  38  74.715  -5.206 -10.349
  279   HD21  LEU  38          HD21      LEU  38  75.687  -6.487  -8.485
  280   HD22  LEU  38          HD22      LEU  38  76.083  -5.620  -7.002
  281   HD23  LEU  38          HD23      LEU  38  77.316  -5.848  -8.246
  282    H    LEU  39           HN       LEU  39  79.220  -3.099  -5.718
  283    HA   LEU  39           HA       LEU  39  80.173  -0.369  -6.301
  284    HB2  LEU  39           HB2      LEU  39  81.978  -1.442  -4.500
  285    HB3  LEU  39           HB1      LEU  39  80.570  -0.511  -4.042
  286    HG   LEU  39           HG       LEU  39  79.270  -2.655  -3.906
  287   HD11  LEU  39          HD11      LEU  39  80.776  -4.024  -5.342
  288   HD12  LEU  39          HD12      LEU  39  80.569  -4.747  -3.746
  289   HD13  LEU  39          HD13      LEU  39  82.045  -3.864  -4.121
  290   HD21  LEU  39          HD21      LEU  39  80.186  -1.560  -1.927
  291   HD22  LEU  39          HD22      LEU  39  81.728  -2.376  -2.163
  292   HD23  LEU  39          HD23      LEU  39  80.286  -3.307  -1.750
  293    H    ASP  40           HN       ASP  40  82.527  -2.754  -5.476
  294    HA   ASP  40           HA       ASP  40  83.815  -2.518  -7.965
  295    HB2  ASP  40           HB2      ASP  40  85.181  -4.432  -7.256
  296    HB3  ASP  40           HB1      ASP  40  84.993  -3.331  -5.898
  297    H    ASP  41           HN       ASP  41  84.002  -4.414  -9.446
  298    HA   ASP  41           HA       ASP  41  81.445  -5.115 -10.374
  299    HB2  ASP  41           HB2      ASP  41  82.634  -6.393 -12.094
  300    HB3  ASP  41           HB1      ASP  41  83.379  -4.816 -11.857
  301    H    GLU  42           HN       GLU  42  81.766  -6.047  -7.668
  302    HA   GLU  42           HA       GLU  42  81.221  -8.928  -8.122
  303    HB2  GLU  42           HB2      GLU  42  82.973  -7.718  -5.953
  304    HB3  GLU  42           HB1      GLU  42  82.273  -9.332  -5.812
  305    HG2  GLU  42           HG2      GLU  42  83.391 -10.008  -7.903
  306    HG3  GLU  42           HG1      GLU  42  84.067  -8.388  -8.077
  307    HA   PRO  43           HA       PRO  43  77.481  -7.736  -6.022
  308    HB2  PRO  43           HB2      PRO  43  77.181 -10.228  -4.556
  309    HB3  PRO  43           HB1      PRO  43  76.279  -9.676  -5.974
  310    HG2  PRO  43           HG2      PRO  43  78.324 -11.687  -5.849
  311    HG3  PRO  43           HG1      PRO  43  77.383 -11.168  -7.248
  312    HD2  PRO  43           HD2      PRO  43  80.160 -10.667  -6.750
  313    HD3  PRO  43           HD1      PRO  43  79.181 -10.046  -8.096
  314    H    VAL  44           HN       VAL  44  77.206  -6.591  -4.149
  315    HA   VAL  44           HA       VAL  44  79.344  -6.621  -2.231
  316    HB   VAL  44           HB       VAL  44  78.400  -4.524  -2.910
  317   HG11  VAL  44          HG11      VAL  44  75.791  -5.147  -1.550
  318   HG12  VAL  44          HG12      VAL  44  76.039  -5.588  -3.237
  319   HG13  VAL  44          HG13      VAL  44  76.163  -3.907  -2.739
  320   HG21  VAL  44          HG21      VAL  44  79.185  -4.920  -0.500
  321   HG22  VAL  44          HG22      VAL  44  77.487  -4.970  -0.078
  322   HG23  VAL  44          HG23      VAL  44  78.164  -3.505  -0.768
  323    H    ARG  45           HN       ARG  45  79.175  -8.685  -1.322
  324    HA   ARG  45           HA       ARG  45  77.413  -8.731   0.997
  325    HB2  ARG  45           HB2      ARG  45  76.102  -9.979  -0.674
  326    HB3  ARG  45           HB1      ARG  45  77.477 -11.054  -0.946
  327    HG2  ARG  45           HG2      ARG  45  77.404 -11.861   1.318
  328    HG3  ARG  45           HG1      ARG  45  76.222 -10.634   1.776
  329    HD2  ARG  45           HD2      ARG  45  75.052 -12.713   1.449
  330    HD3  ARG  45           HD1      ARG  45  74.637 -11.633   0.122
  331    HE   ARG  45           HE       ARG  45  76.873 -13.234  -0.602
  332   HH11  ARG  45          HH11      ARG  45  73.588 -13.736   0.318
  333   HH12  ARG  45          HH12      ARG  45  73.260 -14.885  -0.939
  334   HH21  ARG  45          HH21      ARG  45  76.393 -14.594  -2.393
  335   HH22  ARG  45          HH22      ARG  45  74.846 -15.372  -2.468
  336    H    THR  46           HN       THR  46  79.124 -11.443  -0.408
  337    HA   THR  46           HA       THR  46  80.969 -12.612   0.259
  338    HB   THR  46           HB       THR  46  82.916 -11.363   0.535
  339    HG1  THR  46           HG1      THR  46  82.844 -10.186   2.275
  340   HG21  THR  46          HG21      THR  46  82.779  -9.642  -1.033
  341   HG22  THR  46          HG22      THR  46  81.183  -9.134  -0.491
  342   HG23  THR  46          HG23      THR  46  81.365 -10.615  -1.429
  343    H    SER  47           HN       SER  47  82.534 -11.433   2.760
  344    HA   SER  47           HA       SER  47  80.716 -12.530   4.838
  345    HB2  SER  47           HB2      SER  47  82.342 -14.239   3.961
  346    HB3  SER  47           HB1      SER  47  83.643 -13.227   4.572
  347    HG   SER  47           HG       SER  47  81.484 -13.990   6.219
  348    H    GLU  48           HN       GLU  48  83.111 -12.502   6.687
  349    HA   GLU  48           HA       GLU  48  82.632 -10.200   8.096
  350    HB2  GLU  48           HB2      GLU  48  85.261 -11.681   7.821
  351    HB3  GLU  48           HB1      GLU  48  84.913 -10.488   9.069
  352    HG2  GLU  48           HG2      GLU  48  83.259 -12.987   8.610
  353    HG3  GLU  48           HG1      GLU  48  84.541 -12.867   9.811
  354    H    ASN  49           HN       ASN  49  85.217 -10.627   5.717
  355    HA   ASN  49           HA       ASN  49  86.202  -7.981   5.762
  356    HB2  ASN  49           HB2      ASN  49  87.294  -8.514   3.654
  357    HB3  ASN  49           HB1      ASN  49  87.416  -9.884   4.754
  358   HD21  ASN  49          HD21      ASN  49  87.736 -10.616   2.170
  359   HD22  ASN  49          HD22      ASN  49  86.331 -11.319   1.532
  360    H    ALA  50           HN       ALA  50  83.129  -8.766   5.000
  361    HA   ALA  50           HA       ALA  50  82.376  -6.322   3.979
  362    HB1  ALA  50           HB1      ALA  50  83.550  -8.072   1.919
  363    HB2  ALA  50           HB2      ALA  50  83.260  -6.338   1.870
  364    HB3  ALA  50           HB3      ALA  50  81.957  -7.462   1.481
  365    H    GLU  51           HN       GLU  51  80.194  -6.203   4.180
  366    HA   GLU  51           HA       GLU  51  78.355  -8.185   3.342
  367    HB2  GLU  51           HB2      GLU  51  79.368  -9.442   5.260
  368    HB3  GLU  51           HB1      GLU  51  78.846  -8.149   6.336
  369    HG2  GLU  51           HG2      GLU  51  77.189  -9.895   6.451
  370    HG3  GLU  51           HG1      GLU  51  76.477  -8.575   5.532
  371    H    VAL  52           HN       VAL  52  76.243  -7.235   3.268
  372    HA   VAL  52           HA       VAL  52  76.054  -4.552   4.376
  373    HB   VAL  52           HB       VAL  52  74.020  -6.074   2.734
  374   HG11  VAL  52          HG11      VAL  52  74.518  -3.097   2.936
  375   HG12  VAL  52          HG12      VAL  52  73.383  -3.938   3.987
  376   HG13  VAL  52          HG13      VAL  52  73.117  -3.916   2.249
  377   HG21  VAL  52          HG21      VAL  52  76.098  -4.149   1.682
  378   HG22  VAL  52          HG22      VAL  52  74.995  -5.152   0.748
  379   HG23  VAL  52          HG23      VAL  52  76.320  -5.895   1.641
  380    H    VAL  53           HN       VAL  53  74.633  -3.926   5.853
  381    HA   VAL  53           HA       VAL  53  72.826  -5.876   7.147
  382    HB   VAL  53           HB       VAL  53  73.425  -4.693   9.335
  383   HG11  VAL  53          HG11      VAL  53  75.641  -6.242   7.951
  384   HG12  VAL  53          HG12      VAL  53  74.234  -6.973   8.726
  385   HG13  VAL  53          HG13      VAL  53  75.413  -6.085   9.693
  386   HG21  VAL  53          HG21      VAL  53  74.538  -2.756   8.227
  387   HG22  VAL  53          HG22      VAL  53  75.818  -3.835   7.678
  388   HG23  VAL  53          HG23      VAL  53  75.586  -3.545   9.402
  389    H    PHE  54           HN       PHE  54  70.790  -5.013   7.529
  390    HA   PHE  54           HA       PHE  54  70.436  -2.114   6.943
  391    HB2  PHE  54           HB2      PHE  54  69.618  -4.089   5.318
  392    HB3  PHE  54           HB1      PHE  54  68.248  -4.108   6.410
  393    HD1  PHE  54           HD1      PHE  54  68.741  -0.808   6.760
  394    HD2  PHE  54           HD2      PHE  54  67.963  -3.570   3.544
  395    HE1  PHE  54           HE1      PHE  54  67.767   1.016   5.404
  396    HE2  PHE  54           HE2      PHE  54  66.954  -1.730   2.229
  397    HZ   PHE  54           HZ       PHE  54  66.865   0.560   3.161
  398    H    PHE  55           HN       PHE  55  69.767  -1.060   8.811
  399    HA   PHE  55           HA       PHE  55  68.111  -2.577  10.753
  400    HB2  PHE  55           HB2      PHE  55  69.969  -0.224  11.142
  401    HB3  PHE  55           HB1      PHE  55  68.990  -0.951  12.417
  402    HD1  PHE  55           HD2      PHE  55  69.299  -3.468  12.871
  403    HD2  PHE  55           HD1      PHE  55  72.065  -1.121  10.558
  404    HE1  PHE  55           HE2      PHE  55  71.053  -5.194  13.204
  405    HE2  PHE  55           HE1      PHE  55  73.809  -2.850  10.889
  406    HZ   PHE  55           HZ       PHE  55  73.304  -4.882  12.208
  407    H    GLU  56           HN       GLU  56  66.753  -1.175  12.164
  408    HA   GLU  56           HA       GLU  56  64.929   0.137  12.472
  409    HB2  GLU  56           HB2      GLU  56  66.464   1.917  10.578
  410    HB3  GLU  56           HB1      GLU  56  64.896   2.382  11.241
  411    HG2  GLU  56           HG2      GLU  56  66.341   3.326  12.810
  412    HG3  GLU  56           HG1      GLU  56  66.002   1.779  13.567
  413    H    ASN  57           HN       ASN  57  64.685  -1.980  10.637
  414    HA   ASN  57           HA       ASN  57  63.138  -2.838   9.173
  415    HB2  ASN  57           HB2      ASN  57  61.616  -1.585  10.745
  416    HB3  ASN  57           HB1      ASN  57  61.625  -0.263   9.579
  417   HD21  ASN  57          HD21      ASN  57  59.228  -1.679  10.229
  418   HD22  ASN  57          HD22      ASN  57  58.731  -2.536   8.852
  419    H    GLY  58           HN       GLY  58  65.268  -1.744   7.914
  420    HA2  GLY  58           HA2      GLY  58  65.825  -1.332   5.714
  421    HA3  GLY  58           HA1      GLY  58  64.125  -1.169   5.346
  422    H    LEU  59           HN       LEU  59  65.161   0.851   7.936
  423    HA   LEU  59           HA       LEU  59  64.749   3.182   6.224
  424    HB2  LEU  59           HB2      LEU  59  63.748   2.771   8.611
  425    HB3  LEU  59           HB1      LEU  59  65.306   3.382   9.167
  426    HG   LEU  59           HG       LEU  59  64.810   5.314   7.390
  427   HD11  LEU  59          HD11      LEU  59  62.467   5.821   7.140
  428   HD12  LEU  59          HD12      LEU  59  62.009   4.486   8.198
  429   HD13  LEU  59          HD13      LEU  59  62.706   4.158   6.616
  430   HD21  LEU  59          HD21      LEU  59  63.632   5.039  10.165
  431   HD22  LEU  59          HD22      LEU  59  63.529   6.542   9.249
  432   HD23  LEU  59          HD23      LEU  59  65.107   5.886   9.689
  433    H    ARG  60           HN       ARG  60  67.497   1.514   7.455
  434    HA   ARG  60           HA       ARG  60  69.186   3.792   6.610
  435    HB2  ARG  60           HB2      ARG  60  69.502   2.292   9.216
  436    HB3  ARG  60           HB1      ARG  60  70.736   3.343   8.523
  437    HG2  ARG  60           HG2      ARG  60  69.191   5.248   8.590
  438    HG3  ARG  60           HG1      ARG  60  67.914   4.208   9.223
  439    HD2  ARG  60           HD2      ARG  60  68.977   5.432  11.059
  440    HD3  ARG  60           HD1      ARG  60  69.311   3.711  11.200
  441    HE   ARG  60           HE       ARG  60  71.556   4.132  10.722
  442   HH11  ARG  60          HH21      ARG  60  69.635   7.015  10.628
  443   HH12  ARG  60          HH22      ARG  60  70.976   8.057  10.317
  444   HH21  ARG  60          HH11      ARG  60  73.287   5.479  10.159
  445   HH22  ARG  60          HH12      ARG  60  73.048   7.192  10.058
  446    H    HIS  61           HN       HIS  61  70.101   2.978   4.860
  447    HA   HIS  61           HA       HIS  61  70.972   0.218   4.641
  448    HB2  HIS  61           HB2      HIS  61  70.871   2.635   2.897
  449    HB3  HIS  61           HB1      HIS  61  72.143   1.483   2.515
  450    HD1  HIS  61           HD1      HIS  61  68.757   2.196   1.683
  451    HD2  HIS  61           HD2      HIS  61  70.875  -1.319   2.402
  452    HE1  HIS  61           HE1      HIS  61  67.471   0.332   0.543
  453    H    LEU  62           HN       LEU  62  72.754  -0.361   5.868
  454    HA   LEU  62           HA       LEU  62  75.099   1.467   5.826
  455    HB2  LEU  62           HB2      LEU  62  73.992   1.307   8.024
  456    HB3  LEU  62           HB1      LEU  62  74.189  -0.442   8.000
  457    HG   LEU  62           HG       LEU  62  76.696   1.125   7.523
  458   HD11  LEU  62          HD11      LEU  62  75.557   2.466   9.303
  459   HD12  LEU  62          HD12      LEU  62  77.029   1.681   9.876
  460   HD13  LEU  62          HD13      LEU  62  75.453   1.009  10.289
  461   HD21  LEU  62          HD21      LEU  62  76.418  -1.430   7.823
  462   HD22  LEU  62          HD22      LEU  62  76.171  -1.082   9.534
  463   HD23  LEU  62          HD23      LEU  62  77.694  -0.653   8.756
  464    H    LEU  63           HN       LEU  63  76.888   0.676   4.965
  465    HA   LEU  63           HA       LEU  63  77.131  -2.254   4.534
  466    HB2  LEU  63           HB2      LEU  63  76.847  -1.350   2.389
  467    HB3  LEU  63           HB1      LEU  63  77.721   0.117   2.776
  468    HG   LEU  63           HG       LEU  63  79.858  -1.182   2.793
  469   HD11  LEU  63          HD11      LEU  63  78.257  -3.475   1.651
  470   HD12  LEU  63          HD12      LEU  63  78.704  -3.402   3.352
  471   HD13  LEU  63          HD13      LEU  63  79.951  -3.465   2.115
  472   HD21  LEU  63          HD21      LEU  63  79.873  -1.666   0.341
  473   HD22  LEU  63          HD22      LEU  63  79.214  -0.081   0.743
  474   HD23  LEU  63          HD23      LEU  63  78.131  -1.408   0.323
  475    H    LEU  64           HN       LEU  64  78.731  -3.113   5.816
  476    HA   LEU  64           HA       LEU  64  80.890  -1.336   6.723
  477    HB2  LEU  64           HB2      LEU  64  81.305  -2.904   8.447
  478    HB3  LEU  64           HB1      LEU  64  79.556  -2.797   8.317
  479    HG   LEU  64           HG       LEU  64  80.073  -4.836   6.545
  480   HD11  LEU  64          HD11      LEU  64  81.661  -6.380   7.631
  481   HD12  LEU  64          HD12      LEU  64  82.049  -5.145   8.827
  482   HD13  LEU  64          HD13      LEU  64  82.473  -4.895   7.136
  483   HD21  LEU  64          HD21      LEU  64  78.360  -4.924   8.274
  484   HD22  LEU  64          HD22      LEU  64  79.594  -5.035   9.531
  485   HD23  LEU  64          HD23      LEU  64  79.368  -6.366   8.395
  486    H    LEU  65           HN       LEU  65  82.951  -1.584   6.215
  487    HA   LEU  65           HA       LEU  65  83.906  -3.890   4.653
  488    HB2  LEU  65           HB2      LEU  65  84.253  -0.987   3.836
  489    HB3  LEU  65           HB1      LEU  65  85.052  -2.357   3.070
  490    HG   LEU  65           HG       LEU  65  82.044  -2.002   3.202
  491   HD11  LEU  65          HD11      LEU  65  82.875  -0.222   1.852
  492   HD12  LEU  65          HD12      LEU  65  82.396  -1.478   0.714
  493   HD13  LEU  65          HD13      LEU  65  84.100  -1.249   1.110
  494   HD21  LEU  65          HD21      LEU  65  82.510  -4.306   2.845
  495   HD22  LEU  65          HD22      LEU  65  83.908  -3.954   1.832
  496   HD23  LEU  65          HD23      LEU  65  82.281  -3.666   1.223
  497    H    LYS  66           HN       LYS  66  85.726  -4.584   5.887
  498    HA   LYS  66           HA       LYS  66  87.205  -2.520   7.360
  499    HB2  LYS  66           HB2      LYS  66  86.933  -5.518   7.559
  500    HB3  LYS  66           HB1      LYS  66  88.130  -4.621   8.486
  501    HG2  LYS  66           HG2      LYS  66  86.461  -3.375   9.640
  502    HG3  LYS  66           HG1      LYS  66  85.201  -3.893   8.521
  503    HD2  LYS  66           HD2      LYS  66  85.102  -5.113  10.689
  504    HD3  LYS  66           HD1      LYS  66  85.381  -6.190   9.324
  505    HE2  LYS  66           HE2      LYS  66  87.655  -6.492   9.863
  506    HE3  LYS  66           HE1      LYS  66  87.692  -5.064  10.905
  507    HZ1  LYS  66           HZ1      LYS  66  87.390  -7.567  11.797
  508    HZ2  LYS  66           HZ2      LYS  66  85.768  -7.093  11.652
  509    HZ3  LYS  66           HZ3      LYS  66  86.834  -6.196  12.624
  510    H    ASN  67           HN       ASN  67  89.516  -3.731   7.796
  511    HA   ASN  67           HA       ASN  67  91.703  -3.609   6.937
  512    HB2  ASN  67           HB2      ASN  67  90.878  -6.004   6.822
  513    HB3  ASN  67           HB1      ASN  67  90.579  -5.726   5.104
  514   HD21  ASN  67          HD21      ASN  67  93.324  -4.612   7.169
  515   HD22  ASN  67          HD22      ASN  67  94.516  -5.346   6.213
  516    H    LEU  68           HN       LEU  68  90.556  -1.479   5.847
  517    HA   LEU  68           HA       LEU  68  90.240  -1.460   3.074
  518    HB2  LEU  68           HB2      LEU  68  90.917   0.653   5.086
  519    HB3  LEU  68           HB1      LEU  68  90.919   1.060   3.377
  520    HG   LEU  68           HG       LEU  68  88.747   1.467   4.689
  521   HD11  LEU  68          HD11      LEU  68  87.367   0.933   2.791
  522   HD12  LEU  68          HD12      LEU  68  88.472  -0.327   2.260
  523   HD13  LEU  68          HD13      LEU  68  88.953   1.366   2.171
  524   HD21  LEU  68          HD21      LEU  68  88.305  -1.486   4.282
  525   HD22  LEU  68          HD22      LEU  68  87.319  -0.333   5.163
  526   HD23  LEU  68          HD23      LEU  68  88.876  -0.820   5.815
  527    H    ARG  69           HN       ARG  69  91.669  -2.265   1.708
  528    HA   ARG  69           HA       ARG  69  94.525  -1.556   1.999
  529    HB2  ARG  69           HB2      ARG  69  93.031  -3.871   0.873
  530    HB3  ARG  69           HB1      ARG  69  94.427  -3.376  -0.076
  531    HG2  ARG  69           HG2      ARG  69  95.168  -5.035   1.503
  532    HG3  ARG  69           HG1      ARG  69  95.793  -3.481   2.054
  533    HD2  ARG  69           HD2      ARG  69  93.879  -3.263   3.590
  534    HD3  ARG  69           HD1      ARG  69  93.277  -4.829   3.051
  535    HE   ARG  69           HE       ARG  69  94.686  -5.677   4.677
  536   HH11  ARG  69          HH21      ARG  69  97.040  -5.264   2.809
  537   HH12  ARG  69          HH22      ARG  69  98.134  -4.369   3.810
  538   HH21  ARG  69          HH11      ARG  69  95.712  -3.504   6.139
  539   HH22  ARG  69          HH12      ARG  69  97.383  -3.369   5.695
  540    HA   PRO  70           HA       PRO  70  94.421   1.184  -1.441
  541    HB2  PRO  70           HB2      PRO  70  96.584   0.010  -2.965
  542    HB3  PRO  70           HB1      PRO  70  96.646   1.440  -1.922
  543    HG2  PRO  70           HG2      PRO  70  97.663  -1.221  -1.407
  544    HG3  PRO  70           HG1      PRO  70  97.886   0.250  -0.456
  545    HD2  PRO  70           HD2      PRO  70  96.283  -1.987   0.252
  546    HD3  PRO  70           HD1      PRO  70  96.314  -0.410   1.067
  547    H    GLN  71           HN       GLN  71  94.678  -2.259  -2.003
  548    HA   GLN  71           HA       GLN  71  93.868  -2.372  -4.695
  549    HB2  GLN  71           HB2      GLN  71  94.813  -4.303  -3.443
  550    HB3  GLN  71           HB1      GLN  71  93.323  -4.404  -2.512
  551    HG2  GLN  71           HG2      GLN  71  92.045  -4.782  -4.612
  552    HG3  GLN  71           HG1      GLN  71  93.555  -4.716  -5.520
  553   HE21  GLN  71          HE21      GLN  71  94.416  -6.767  -5.932
  554   HE22  GLN  71          HE22      GLN  71  94.202  -8.129  -4.936
  555    H    ASP  72           HN       ASP  72  91.834  -3.178  -1.838
  556    HA   ASP  72           HA       ASP  72  89.423  -3.309  -3.052
  557    HB2  ASP  72           HB2      ASP  72  90.122  -2.269  -0.303
  558    HB3  ASP  72           HB1      ASP  72  88.471  -2.595  -0.828
  559    H    SER  73           HN       SER  73  91.016  -0.216  -2.029
  560    HA   SER  73           HA       SER  73  88.932   1.523  -2.258
  561    HB2  SER  73           HB2      SER  73  91.291   2.100  -1.683
  562    HB3  SER  73           HB1      SER  73  91.709   1.946  -3.382
  563    HG   SER  73           HG       SER  73  91.051   4.108  -2.405
  564    H    CYS  74           HN       CYS  74  87.579   2.104  -3.778
  565    HA   CYS  74           HA       CYS  74  88.271   2.394  -6.525
  566    HB2  CYS  74           HB2      CYS  74  87.175   0.565  -7.535
  567    HB3  CYS  74           HB1      CYS  74  88.109  -0.144  -6.221
  568    HG   CYS  74           HG       CYS  74  85.467   0.421  -5.048
  569    H    ARG  75           HN       ARG  75  85.596   1.632  -7.446
  570    HA   ARG  75           HA       ARG  75  84.182   4.071  -6.629
  571    HB2  ARG  75           HB2      ARG  75  84.598   3.636  -9.031
  572    HB3  ARG  75           HB1      ARG  75  83.655   2.151  -8.914
  573    HG2  ARG  75           HG2      ARG  75  81.687   3.519  -8.166
  574    HG3  ARG  75           HG1      ARG  75  82.643   4.973  -8.440
  575    HD2  ARG  75           HD2      ARG  75  82.007   2.891 -10.550
  576    HD3  ARG  75           HD1      ARG  75  81.152   4.420 -10.359
  577    HE   ARG  75           HE       ARG  75  83.876   5.014 -10.588
  578   HH11  ARG  75          HH11      ARG  75  81.310   3.634 -12.501
  579   HH12  ARG  75          HH12      ARG  75  82.006   4.127 -14.011
  580   HH21  ARG  75          HH21      ARG  75  84.776   5.623 -12.561
  581   HH22  ARG  75          HH22      ARG  75  83.963   5.242 -14.045
  582    H    VAL  76           HN       VAL  76  82.214   4.098  -5.698
  583    HA   VAL  76           HA       VAL  76  80.882   1.517  -5.082
  584    HB   VAL  76           HB       VAL  76  81.228   4.009  -3.399
  585   HG11  VAL  76          HG11      VAL  76  79.760   2.681  -1.745
  586   HG12  VAL  76          HG12      VAL  76  79.228   1.764  -3.153
  587   HG13  VAL  76          HG13      VAL  76  78.944   3.504  -3.070
  588   HG21  VAL  76          HG21      VAL  76  81.970   2.228  -1.731
  589   HG22  VAL  76          HG22      VAL  76  83.037   2.470  -3.109
  590   HG23  VAL  76          HG23      VAL  76  81.950   1.082  -3.069
  591    H    THR  77           HN       THR  77  78.855   1.339  -5.871
  592    HA   THR  77           HA       THR  77  77.355   3.821  -6.503
  593    HB   THR  77           HB       THR  77  77.596   1.351  -8.236
  594    HG1  THR  77           HG1      THR  77  78.476   2.898  -9.684
  595   HG21  THR  77          HG21      THR  77  75.354   2.077  -8.474
  596   HG22  THR  77          HG22      THR  77  76.207   2.852  -9.810
  597   HG23  THR  77          HG23      THR  77  75.804   3.778  -8.364
  598    H    PHE  78           HN       PHE  78  75.419   3.893  -5.640
  599    HA   PHE  78           HA       PHE  78  74.066   1.372  -4.831
  600    HB2  PHE  78           HB2      PHE  78  74.872   2.610  -2.878
  601    HB3  PHE  78           HB1      PHE  78  74.086   4.076  -3.456
  602    HD1  PHE  78           HD2      PHE  78  73.247   0.485  -2.816
  603    HD2  PHE  78           HD1      PHE  78  71.985   4.573  -2.552
  604    HE1  PHE  78           HE2      PHE  78  71.164  -0.240  -1.676
  605    HE2  PHE  78           HE1      PHE  78  69.901   3.856  -1.410
  606    HZ   PHE  78           HZ       PHE  78  69.495   1.447  -0.971
  607    H    LEU  79           HN       LEU  79  72.320   1.077  -6.101
  608    HA   LEU  79           HA       LEU  79  70.936   3.465  -7.203
  609    HB2  LEU  79           HB2      LEU  79  72.013   1.774  -8.765
  610    HB3  LEU  79           HB1      LEU  79  70.793   0.626  -8.216
  611    HG   LEU  79           HG       LEU  79  69.109   2.586  -8.846
  612   HD11  LEU  79          HD11      LEU  79  69.864   3.933 -10.725
  613   HD12  LEU  79          HD12      LEU  79  71.435   3.132 -10.719
  614   HD13  LEU  79          HD13      LEU  79  70.974   4.185  -9.383
  615   HD21  LEU  79          HD21      LEU  79  68.980   1.635 -11.160
  616   HD22  LEU  79          HD22      LEU  79  69.088   0.396  -9.909
  617   HD23  LEU  79          HD23      LEU  79  70.508   0.806 -10.867
  618    H    ALA  80           HN       ALA  80  69.538   3.778  -5.349
  619    HA   ALA  80           HA       ALA  80  67.571   1.621  -4.852
  620    HB1  ALA  80           HB1      ALA  80  68.234   2.356  -2.748
  621    HB2  ALA  80           HB2      ALA  80  66.849   3.412  -3.024
  622    HB3  ALA  80           HB3      ALA  80  68.487   4.015  -3.286
  623    H    GLY  81           HN       GLY  81  66.287   1.803  -6.679
  624    HA2  GLY  81           HA2      GLY  81  64.713   2.704  -8.114
  625    HA3  GLY  81           HA1      GLY  81  64.076   3.426  -6.636
  626    H    ASP  82           HN       ASP  82  63.436   5.179  -8.162
  627    HA   ASP  82           HA       ASP  82  64.890   6.799  -9.737
  628    HB2  ASP  82           HB2      ASP  82  62.499   7.142  -8.985
  629    HB3  ASP  82           HB1      ASP  82  63.137   7.933  -7.543
  630    H    MET  83           HN       MET  83  65.347   6.397  -6.338
  631    HA   MET  83           HA       MET  83  67.054   8.746  -6.056
  632    HB2  MET  83           HB2      MET  83  66.772   6.576  -3.989
  633    HB3  MET  83           HB1      MET  83  66.990   8.307  -3.765
  634    HG2  MET  83           HG2      MET  83  64.675   8.539  -4.912
  635    HG3  MET  83           HG1      MET  83  64.495   6.817  -4.565
  636    HE1  MET  83           HE1      MET  83  64.532   6.479  -0.828
  637    HE2  MET  83           HE2      MET  83  66.141   6.727  -1.494
  638    HE3  MET  83           HE3      MET  83  64.961   5.781  -2.398
  639    H    VAL  84           HN       VAL  84  69.131   8.662  -6.778
  640    HA   VAL  84           HA       VAL  84  70.637   6.128  -6.415
  641    HB   VAL  84           HB       VAL  84  71.791   6.485  -8.462
  642   HG11  VAL  84          HG11      VAL  84  68.967   7.300  -9.159
  643   HG12  VAL  84          HG12      VAL  84  69.342   5.691  -8.538
  644   HG13  VAL  84          HG13      VAL  84  70.062   6.240 -10.053
  645   HG21  VAL  84          HG21      VAL  84  72.201   8.842  -8.444
  646   HG22  VAL  84          HG22      VAL  84  70.475   9.211  -8.457
  647   HG23  VAL  84          HG23      VAL  84  71.240   8.522  -9.888
  648    H    THR  85           HN       THR  85  72.411   6.281  -5.228
  649    HA   THR  85           HA       THR  85  73.708   8.916  -4.825
  650    HB   THR  85           HB       THR  85  73.642   8.725  -2.519
  651    HG1  THR  85           HG1      THR  85  73.457   6.564  -1.564
  652   HG21  THR  85          HG21      THR  85  71.380   6.832  -3.218
  653   HG22  THR  85          HG22      THR  85  71.280   8.586  -3.371
  654   HG23  THR  85          HG23      THR  85  71.499   7.848  -1.783
  655    H    SER  86           HN       SER  86  75.903   8.858  -5.125
  656    HA   SER  86           HA       SER  86  77.368   6.384  -4.660
  657    HB2  SER  86           HB2      SER  86  78.250   6.195  -6.906
  658    HB3  SER  86           HB1      SER  86  76.490   6.141  -6.968
  659    HG   SER  86           HG       SER  86  77.582   7.581  -8.507
  660    H    ALA  87           HN       ALA  87  79.573   6.641  -4.461
  661    HA   ALA  87           HA       ALA  87  80.797   9.265  -4.885
  662    HB1  ALA  87           HB1      ALA  87  80.732   8.008  -2.134
  663    HB2  ALA  87           HB2      ALA  87  79.724   9.371  -2.621
  664    HB3  ALA  87           HB3      ALA  87  81.479   9.544  -2.582
  665    H    PHE  88           HN       PHE  88  83.129   9.234  -4.360
  666    HA   PHE  88           HA       PHE  88  84.305   6.725  -5.247
  667    HB2  PHE  88           HB2      PHE  88  85.586   9.391  -4.609
  668    HB3  PHE  88           HB1      PHE  88  86.386   8.022  -5.387
  669    HD1  PHE  88           HD2      PHE  88  85.781   7.329  -7.658
  670    HD2  PHE  88           HD1      PHE  88  83.914  10.709  -5.779
  671    HE1  PHE  88           HE2      PHE  88  84.873   8.046  -9.845
  672    HE2  PHE  88           HE1      PHE  88  83.010  11.431  -7.973
  673    HZ   PHE  88           HZ       PHE  88  83.493  10.098 -10.006
  674    H    LEU  89           HN       LEU  89  86.484   6.197  -4.188
  675    HA   LEU  89           HA       LEU  89  86.420   6.440  -1.256
  676    HB2  LEU  89           HB2      LEU  89  85.308   4.256  -2.144
  677    HB3  LEU  89           HB1      LEU  89  86.944   3.768  -2.569
  678    HG   LEU  89           HG       LEU  89  86.210   4.711   0.221
  679   HD11  LEU  89          HD11      LEU  89  85.981   2.364   0.866
  680   HD12  LEU  89          HD12      LEU  89  86.238   1.864  -0.805
  681   HD13  LEU  89          HD13      LEU  89  84.796   2.784  -0.372
  682   HD21  LEU  89          HD21      LEU  89  88.465   4.587   0.439
  683   HD22  LEU  89          HD22      LEU  89  88.673   3.726  -1.078
  684   HD23  LEU  89          HD23      LEU  89  88.276   2.840   0.392
  685    H    THR  90           HN       THR  90  88.496   6.318  -0.316
  686    HA   THR  90           HA       THR  90  90.799   5.955  -2.124
  687    HB   THR  90           HB       THR  90  90.394   8.412  -0.397
  688    HG1  THR  90           HG1      THR  90  90.433   7.972  -3.193
  689   HG21  THR  90          HG21      THR  90  92.547   9.103  -1.556
  690   HG22  THR  90          HG22      THR  90  92.704   7.426  -2.086
  691   HG23  THR  90          HG23      THR  90  92.716   7.814  -0.365
  692    H    VAL  91           HN       VAL  91  92.441   4.873  -1.183
  693    HA   VAL  91           HA       VAL  91  92.559   4.809   1.782
  694    HB   VAL  91           HB       VAL  91  92.974   2.425  -0.030
  695   HG11  VAL  91          HG11      VAL  91  94.410   2.375   1.968
  696   HG12  VAL  91          HG12      VAL  91  93.116   1.196   2.113
  697   HG13  VAL  91          HG13      VAL  91  93.012   2.717   2.989
  698   HG21  VAL  91          HG21      VAL  91  90.946   1.546   0.980
  699   HG22  VAL  91          HG22      VAL  91  90.592   3.109   0.248
  700   HG23  VAL  91          HG23      VAL  91  90.788   2.978   1.992
  701    H    ARG  92           HN       ARG  92  94.409   5.699   2.407
  702    HA   ARG  92           HA       ARG  92  96.819   5.332   0.723
  703    HB2  ARG  92           HB2      ARG  92  97.637   7.392   1.811
  704    HB3  ARG  92           HB1      ARG  92  96.102   7.658   0.981
  705    HG2  ARG  92           HG2      ARG  92  94.899   7.385   3.123
  706    HG3  ARG  92           HG1      ARG  92  96.433   7.147   3.953
  707    HD2  ARG  92           HD2      ARG  92  95.772   9.626   2.351
  708    HD3  ARG  92           HD1      ARG  92  95.529   9.496   4.091
  709    HE   ARG  92           HE       ARG  92  98.188   8.764   3.525
  710   HH11  ARG  92          HH21      ARG  92  98.182  11.048   1.656
  711   HH12  ARG  92          HH22      ARG  92  98.518  12.407   2.676
  712   HH21  ARG  92          HH11      ARG  92  97.750  10.733   5.614
  713   HH22  ARG  92          HH12      ARG  92  98.274  12.228   4.914
  714    H    GLY  93           HN       GLY  93  98.788   4.846   1.670
  715    HA2  GLY  93           HA2      GLY  93  98.625   3.398   4.226
  716    HA3  GLY  93           HA1      GLY  93  99.911   3.268   3.034
  717    H    GLY  94           HN       GLY  94 101.700   3.802   4.172
  718    HA2  GLY  94           HA2      GLY  94 101.700   6.060   6.017
  719    HA3  GLY  94           HA1      GLY  94 103.048   4.976   5.689
  720    H    LEU  95           HN       LEU  95 102.024   8.046   5.363
  721    HA   LEU  95           HA       LEU  95 103.717   8.573   2.975
  722    HB2  LEU  95           HB2      LEU  95 101.275   9.046   2.642
  723    HB3  LEU  95           HB1      LEU  95 101.375  10.224   3.945
  724    HG   LEU  95           HG       LEU  95 103.179  11.416   2.641
  725   HD11  LEU  95          HD11      LEU  95 102.496   9.240   0.670
  726   HD12  LEU  95          HD12      LEU  95 104.078   9.868   1.130
  727   HD13  LEU  95          HD13      LEU  95 103.026  10.815   0.085
  728   HD21  LEU  95          HD21      LEU  95 100.655  11.947   2.584
  729   HD22  LEU  95          HD22      LEU  95 100.644  11.150   1.011
  730   HD23  LEU  95          HD23      LEU  95 101.633  12.586   1.262
  731    H    GLU  96           HN       GLU  96 105.541   9.596   3.466
  732    HA   GLU  96           HA       GLU  96 105.536  11.716   5.501
  733    HB2  GLU  96           HB2      GLU  96 107.411   9.332   5.540
  734    HB3  GLU  96           HB1      GLU  96 107.649  10.800   6.484
  735    HG2  GLU  96           HG2      GLU  96 105.498  10.443   7.624
  736    HG3  GLU  96           HG1      GLU  96 105.214   8.999   6.654
  737    H    HIS  97           HN       HIS  97 105.617  11.748   2.639
  738    HA   HIS  97           HA       HIS  97 108.356  12.157   1.818
  739    HB2  HIS  97           HB2      HIS  97 106.552  11.297   0.303
  740    HB3  HIS  97           HB1      HIS  97 105.812  12.899   0.358
  741    HD1  HIS  97           HD1      HIS  97 106.795  14.685  -1.116
  742    HD2  HIS  97           HD2      HIS  97 109.230  11.311  -0.904
  743    HE1  HIS  97           HE1      HIS  97 108.657  15.043  -2.794
  744    H    HIS  98           HN       HIS  98 108.225  13.762   3.894
  745    HA   HIS  98           HA       HIS  98 108.482  16.417   2.735
  746    HB2  HIS  98           HB2      HIS  98 107.008  17.496   4.417
  747    HB3  HIS  98           HB1      HIS  98 106.105  16.436   3.338
  748    HD1  HIS  98           HD1      HIS  98 107.886  14.191   5.350
  749    HD2  HIS  98           HD2      HIS  98 104.546  16.574   6.067
  750    HE1  HIS  98           HE1      HIS  98 106.724  13.201   7.363
  751    H    HIS  99           HN       HIS  99 109.509  17.932   4.242
  752    HA   HIS  99           HA       HIS  99 111.120  16.527   6.307
  753    HB2  HIS  99           HB2      HIS  99 111.783  18.998   4.684
  754    HB3  HIS  99           HB1      HIS  99 112.822  18.261   5.905
  755    HD1  HIS  99           HD1      HIS  99 112.832  15.373   5.325
  756    HD2  HIS  99           HD2      HIS  99 112.731  18.163   2.231
  757    HE1  HIS  99           HE1      HIS  99 113.675  14.180   3.256
  758    H    HIS 100           HN       HIS 100 109.289  16.909   7.776
  759    HA   HIS 100           HA       HIS 100 108.670  19.634   8.524
  760    HB2  HIS 100           HB2      HIS 100 106.916  17.975   8.675
  761    HB3  HIS 100           HB1      HIS 100 107.903  16.971   9.735
  762    HD1  HIS 100           HD1      HIS 100 106.620  20.563   9.715
  763    HD2  HIS 100           HD2      HIS 100 107.363  17.465  12.394
  764    HE1  HIS 100           HE1      HIS 100 105.928  21.414  11.996
  765    H    HIS 101           HN       HIS 101 109.572  20.816  10.102
  766    HA   HIS 101           HA       HIS 101 112.020  20.167  11.266
  767    HB2  HIS 101           HB2      HIS 101 109.906  22.163  12.095
  768    HB3  HIS 101           HB1      HIS 101 111.488  22.060  12.868
  769    HD1  HIS 101           HD1      HIS 101 113.584  22.684  11.386
  770    HD2  HIS 101           HD2      HIS 101 109.911  23.358   9.534
  771    HE1  HIS 101           HE1      HIS 101 114.051  24.151   9.369
  772    H    HIS 102           HN       HIS 102 112.594  19.678  13.411
  773    HA   HIS 102           HA       HIS 102 111.382  17.482  14.582
  774    HB2  HIS 102           HB2      HIS 102 113.103  19.611  15.855
  775    HB3  HIS 102           HB1      HIS 102 112.632  18.124  16.677
  776    HD1  HIS 102           HD1      HIS 102 113.183  15.870  15.065
  777    HD2  HIS 102           HD2      HIS 102 115.499  19.298  14.547
  778    HE1  HIS 102           HE1      HIS 102 115.316  15.123  13.927
  Start of MODEL    7
    1    H1   THR   1           HT1      THR   1  56.763  -0.284  -3.108
    2    H2   THR   1           HT2      THR   1  55.090  -0.494  -2.905
    3    H3   THR   1           HT3      THR   1  55.923   0.663  -1.981
    4    HA   THR   1           HA       THR   1  56.532   1.750  -4.171
    5    HB   THR   1           HB       THR   1  54.099   0.227  -5.118
    6    HG1  THR   1           HG1      THR   1  55.664  -1.308  -4.845
    7   HG21  THR   1          HG21      THR   1  54.784   2.425  -6.156
    8   HG22  THR   1          HG22      THR   1  54.767   1.065  -7.277
    9   HG23  THR   1          HG23      THR   1  56.296   1.654  -6.629
   10    H    ALA   2           HN       ALA   2  55.930   3.213  -2.427
   11    HA   ALA   2           HA       ALA   2  53.254   4.342  -2.850
   12    HB1  ALA   2           HB1      ALA   2  54.244   4.004  -0.028
   13    HB2  ALA   2           HB2      ALA   2  53.323   2.721  -0.814
   14    HB3  ALA   2           HB3      ALA   2  52.603   4.320  -0.600
   15    H    LYS   3           HN       LYS   3  56.458   4.596  -1.400
   16    HA   LYS   3           HA       LYS   3  56.796   7.307  -2.291
   17    HB2  LYS   3           HB2      LYS   3  55.382   7.586  -0.213
   18    HB3  LYS   3           HB1      LYS   3  56.725   6.878   0.700
   19    HG2  LYS   3           HG2      LYS   3  58.210   8.665  -0.018
   20    HG3  LYS   3           HG1      LYS   3  56.956   9.342  -1.056
   21    HD2  LYS   3           HD2      LYS   3  55.519   9.629   0.986
   22    HD3  LYS   3           HD1      LYS   3  56.903   9.123   1.962
   23    HE2  LYS   3           HE2      LYS   3  58.236  10.976   1.112
   24    HE3  LYS   3           HE1      LYS   3  56.919  11.461   0.038
   25    HZ1  LYS   3           HZ1      LYS   3  56.289  11.195   2.872
   26    HZ2  LYS   3           HZ2      LYS   3  55.720  12.318   1.732
   27    HZ3  LYS   3           HZ3      LYS   3  57.262  12.512   2.428
   28    H    ASN   4           HN       ASN   4  58.909   7.540  -2.734
   29    HA   ASN   4           HA       ASN   4  60.899   6.294  -1.006
   30    HB2  ASN   4           HB2      ASN   4  60.392   4.661  -2.793
   31    HB3  ASN   4           HB1      ASN   4  60.814   5.879  -3.992
   32   HD21  ASN   4          HD21      ASN   4  62.758   5.073  -4.836
   33   HD22  ASN   4          HD22      ASN   4  64.111   4.668  -3.897
   34    H    THR   5           HN       THR   5  62.033   8.053  -0.361
   35    HA   THR   5           HA       THR   5  63.096   9.820  -2.461
   36    HB   THR   5           HB       THR   5  61.554  10.862  -0.070
   37    HG1  THR   5           HG1      THR   5  60.368   9.949  -1.923
   38   HG21  THR   5          HG21      THR   5  63.383  12.329  -0.624
   39   HG22  THR   5          HG22      THR   5  61.915  13.040  -1.292
   40   HG23  THR   5          HG23      THR   5  63.037  12.184  -2.345
   41    H    VAL   6           HN       VAL   6  65.232   9.692  -2.153
   42    HA   VAL   6           HA       VAL   6  66.480   9.037   0.317
   43    HB   VAL   6           HB       VAL   6  67.539   8.672  -1.928
   44   HG11  VAL   6          HG11      VAL   6  68.442  10.486  -3.170
   45   HG12  VAL   6          HG12      VAL   6  68.256  11.603  -1.818
   46   HG13  VAL   6          HG13      VAL   6  66.836  11.041  -2.704
   47   HG21  VAL   6          HG21      VAL   6  69.161  10.406  -0.043
   48   HG22  VAL   6          HG22      VAL   6  69.799   9.230  -1.190
   49   HG23  VAL   6          HG23      VAL   6  68.860   8.684   0.197
   50    H    VAL   7           HN       VAL   7  67.208  10.219   1.935
   51    HA   VAL   7           HA       VAL   7  66.798  13.128   1.889
   52    HB   VAL   7           HB       VAL   7  67.449  11.221   4.149
   53   HG11  VAL   7          HG11      VAL   7  66.688  13.221   5.532
   54   HG12  VAL   7          HG12      VAL   7  66.838  14.184   4.062
   55   HG13  VAL   7          HG13      VAL   7  68.258  13.390   4.750
   56   HG21  VAL   7          HG21      VAL   7  65.190  10.999   3.017
   57   HG22  VAL   7          HG22      VAL   7  64.860  12.661   3.505
   58   HG23  VAL   7          HG23      VAL   7  65.117  11.417   4.730
   59    H    ARG   8           HN       ARG   8  69.279  10.671   2.462
   60    HA   ARG   8           HA       ARG   8  71.387  12.640   1.890
   61    HB2  ARG   8           HB2      ARG   8  71.770  12.681   4.165
   62    HB3  ARG   8           HB1      ARG   8  70.996  11.127   4.431
   63    HG2  ARG   8           HG2      ARG   8  72.958   9.927   3.638
   64    HG3  ARG   8           HG1      ARG   8  73.713  11.427   3.099
   65    HD2  ARG   8           HD2      ARG   8  73.012  10.781   5.984
   66    HD3  ARG   8           HD1      ARG   8  74.614  10.608   5.282
   67    HE   ARG   8           HE       ARG   8  73.431  13.036   6.176
   68   HH11  ARG   8          HH21      ARG   8  76.399  12.339   5.777
   69   HH12  ARG   8          HH22      ARG   8  76.843  13.482   4.561
   70   HH21  ARG   8          HH11      ARG   8  73.554  14.158   3.660
   71   HH22  ARG   8          HH12      ARG   8  75.219  14.525   3.351
   72    H    GLY   9           HN       GLY   9  72.833  11.869   0.510
   73    HA2  GLY   9           HA2      GLY   9  72.676   9.041  -0.275
   74    HA3  GLY   9           HA1      GLY   9  73.348  10.357  -1.236
   75    H    LEU  10           HN       LEU  10  74.936   8.251  -1.119
   76    HA   LEU  10           HA       LEU  10  76.694   8.156   1.124
   77    HB2  LEU  10           HB2      LEU  10  77.045   7.175  -1.716
   78    HB3  LEU  10           HB1      LEU  10  78.054   6.720  -0.345
   79    HG   LEU  10           HG       LEU  10  75.071   6.258  -0.544
   80   HD11  LEU  10          HD11      LEU  10  77.325   4.231  -0.663
   81   HD12  LEU  10          HD12      LEU  10  76.529   4.888  -2.091
   82   HD13  LEU  10          HD13      LEU  10  75.606   3.933  -0.935
   83   HD21  LEU  10          HD21      LEU  10  77.105   5.792   1.622
   84   HD22  LEU  10          HD22      LEU  10  75.801   4.617   1.435
   85   HD23  LEU  10          HD23      LEU  10  75.422   6.314   1.750
   86    H    GLU  11           HN       GLU  11  78.746   9.031   1.364
   87    HA   GLU  11           HA       GLU  11  79.562  11.054  -0.641
   88    HB2  GLU  11           HB2      GLU  11  80.206  12.524   1.226
   89    HB3  GLU  11           HB1      GLU  11  78.474  12.177   1.235
   90    HG2  GLU  11           HG2      GLU  11  78.866  10.382   2.917
   91    HG3  GLU  11           HG1      GLU  11  80.580  10.809   2.945
   92    H    ASN  12           HN       ASN  12  81.723  11.461  -0.791
   93    HA   ASN  12           HA       ASN  12  83.527   9.470  -0.942
   94    HB2  ASN  12           HB2      ASN  12  84.024  11.758  -1.672
   95    HB3  ASN  12           HB1      ASN  12  84.202  12.266   0.010
   96   HD21  ASN  12          HD21      ASN  12  85.770  10.560  -2.633
   97   HD22  ASN  12          HD22      ASN  12  87.239  10.283  -1.829
   98    H    VAL  13           HN       VAL  13  85.245   8.614   0.352
   99    HA   VAL  13           HA       VAL  13  84.986   8.998   3.278
  100    HB   VAL  13           HB       VAL  13  84.944   6.344   1.816
  101   HG11  VAL  13          HG11      VAL  13  84.831   5.473   4.249
  102   HG12  VAL  13          HG12      VAL  13  85.490   7.038   4.706
  103   HG13  VAL  13          HG13      VAL  13  86.409   5.975   3.645
  104   HG21  VAL  13          HG21      VAL  13  82.866   6.056   3.230
  105   HG22  VAL  13          HG22      VAL  13  82.734   7.344   2.029
  106   HG23  VAL  13          HG23      VAL  13  83.029   7.744   3.721
  107    H    GLU  14           HN       GLU  14  86.900   9.094   4.331
  108    HA   GLU  14           HA       GLU  14  89.370   8.445   2.808
  109    HB2  GLU  14           HB2      GLU  14  88.837  10.650   4.815
  110    HB3  GLU  14           HB1      GLU  14  90.440  10.241   4.202
  111    HG2  GLU  14           HG2      GLU  14  89.705  10.713   1.901
  112    HG3  GLU  14           HG1      GLU  14  88.080  11.078   2.480
  113    H    ALA  15           HN       ALA  15  90.602   6.870   3.658
  114    HA   ALA  15           HA       ALA  15  90.899   6.582   6.541
  115    HB1  ALA  15           HB1      ALA  15  88.871   5.255   6.080
  116    HB2  ALA  15           HB2      ALA  15  90.217   4.236   6.597
  117    HB3  ALA  15           HB3      ALA  15  89.771   4.309   4.892
  118    H    LEU  16           HN       LEU  16  92.807   5.659   7.124
  119    HA   LEU  16           HA       LEU  16  94.806   5.314   5.086
  120    HB2  LEU  16           HB2      LEU  16  94.797   5.182   8.101
  121    HB3  LEU  16           HB1      LEU  16  96.234   4.754   7.173
  122    HG   LEU  16           HG       LEU  16  94.846   7.355   6.585
  123   HD11  LEU  16          HD11      LEU  16  96.243   8.485   8.302
  124   HD12  LEU  16          HD12      LEU  16  96.785   6.903   8.878
  125   HD13  LEU  16          HD13      LEU  16  95.091   7.358   9.034
  126   HD21  LEU  16          HD21      LEU  16  97.817   6.867   6.707
  127   HD22  LEU  16          HD22      LEU  16  96.920   8.006   5.707
  128   HD23  LEU  16          HD23      LEU  16  96.892   6.287   5.328
  129    H    GLU  17           HN       GLU  17  96.329   3.472   5.233
  130    HA   GLU  17           HA       GLU  17  95.409   1.104   4.344
  131    HB2  GLU  17           HB2      GLU  17  97.478   0.093   4.991
  132    HB3  GLU  17           HB1      GLU  17  97.828   1.797   4.691
  133    HG2  GLU  17           HG2      GLU  17  97.547   2.200   7.176
  134    HG3  GLU  17           HG1      GLU  17  97.473   0.448   7.385
  135    H    GLY  18           HN       GLY  18  94.769  -0.910   5.150
  136    HA2  GLY  18           HA2      GLY  18  93.332  -2.162   6.473
  137    HA3  GLY  18           HA1      GLY  18  94.649  -1.958   7.623
  138    H    GLY  19           HN       GLY  19  92.689   0.694   6.448
  139    HA2  GLY  19           HA2      GLY  19  91.964   1.397   9.162
  140    HA3  GLY  19           HA1      GLY  19  91.629   2.335   7.710
  141    H    GLU  20           HN       GLU  20  89.535   2.637   8.773
  142    HA   GLU  20           HA       GLU  20  87.653   0.408   8.193
  143    HB2  GLU  20           HB2      GLU  20  88.086   0.836  10.653
  144    HB3  GLU  20           HB1      GLU  20  87.413   2.441  10.435
  145    HG2  GLU  20           HG2      GLU  20  85.602   1.134  11.220
  146    HG3  GLU  20           HG1      GLU  20  85.332   1.253   9.480
  147    H    ALA  21           HN       ALA  21  85.887   0.967   6.968
  148    HA   ALA  21           HA       ALA  21  85.211   3.821   6.610
  149    HB1  ALA  21           HB1      ALA  21  86.536   3.560   4.681
  150    HB2  ALA  21           HB2      ALA  21  84.919   3.181   4.084
  151    HB3  ALA  21           HB3      ALA  21  86.044   1.883   4.455
  152    H    LEU  22           HN       LEU  22  83.001   4.165   6.461
  153    HA   LEU  22           HA       LEU  22  81.274   1.811   5.956
  154    HB2  LEU  22           HB2      LEU  22  80.747   3.851   8.120
  155    HB3  LEU  22           HB1      LEU  22  79.768   2.441   7.733
  156    HG   LEU  22           HG       LEU  22  82.138   1.199   8.137
  157   HD11  LEU  22          HD11      LEU  22  83.397   3.215   8.665
  158   HD12  LEU  22          HD12      LEU  22  83.235   2.252  10.129
  159   HD13  LEU  22          HD13      LEU  22  82.219   3.668   9.899
  160   HD21  LEU  22          HD21      LEU  22  81.368   0.889  10.552
  161   HD22  LEU  22          HD22      LEU  22  80.165   0.527   9.309
  162   HD23  LEU  22          HD23      LEU  22  80.088   2.047  10.195
  163    H    PHE  23           HN       PHE  23  79.558   2.143   4.674
  164    HA   PHE  23           HA       PHE  23  79.025   4.918   3.774
  165    HB2  PHE  23           HB2      PHE  23  78.865   2.245   2.374
  166    HB3  PHE  23           HB1      PHE  23  78.057   3.679   1.739
  167    HD1  PHE  23           HD2      PHE  23  79.435   5.742   1.220
  168    HD2  PHE  23           HD1      PHE  23  81.213   1.939   2.115
  169    HE1  PHE  23           HE2      PHE  23  81.559   6.497   0.188
  170    HE2  PHE  23           HE1      PHE  23  83.338   2.689   1.080
  171    HZ   PHE  23           HZ       PHE  23  83.508   4.971   0.119
  172    H    GLU  24           HN       GLU  24  77.386   5.566   5.078
  173    HA   GLU  24           HA       GLU  24  75.006   3.828   5.379
  174    HB2  GLU  24           HB2      GLU  24  75.790   6.334   6.879
  175    HB3  GLU  24           HB1      GLU  24  74.396   5.318   7.218
  176    HG2  GLU  24           HG2      GLU  24  75.940   4.522   8.777
  177    HG3  GLU  24           HG1      GLU  24  76.187   3.402   7.437
  178    H    CYS  25           HN       CYS  25  73.171   4.306   4.364
  179    HA   CYS  25           HA       CYS  25  72.743   7.036   3.268
  180    HB2  CYS  25           HB2      CYS  25  73.134   5.116   1.580
  181    HB3  CYS  25           HB1      CYS  25  71.556   4.516   2.080
  182    HG   CYS  25           HG       CYS  25  72.049   7.216   0.598
  183    H    GLN  26           HN       GLN  26  70.972   8.047   3.937
  184    HA   GLN  26           HA       GLN  26  68.970   6.534   5.531
  185    HB2  GLN  26           HB2      GLN  26  70.066   8.139   6.918
  186    HB3  GLN  26           HB1      GLN  26  70.014   9.367   5.665
  187    HG2  GLN  26           HG2      GLN  26  68.332   9.669   7.531
  188    HG3  GLN  26           HG1      GLN  26  67.647   9.653   5.909
  189   HE21  GLN  26          HE21      GLN  26  67.410   8.290   9.002
  190   HE22  GLN  26          HE22      GLN  26  66.416   6.969   8.613
  191    H    LEU  27           HN       LEU  27  67.345   6.056   4.133
  192    HA   LEU  27           HA       LEU  27  66.198   8.272   2.514
  193    HB2  LEU  27           HB2      LEU  27  65.353   6.344   1.025
  194    HB3  LEU  27           HB1      LEU  27  67.041   6.813   0.897
  195    HG   LEU  27           HG       LEU  27  67.773   4.923   2.196
  196   HD11  LEU  27          HD11      LEU  27  66.125   4.778   3.944
  197   HD12  LEU  27          HD12      LEU  27  66.048   3.261   3.064
  198   HD13  LEU  27          HD13      LEU  27  64.826   4.492   2.788
  199   HD21  LEU  27          HD21      LEU  27  66.747   3.030   0.871
  200   HD22  LEU  27          HD22      LEU  27  67.306   4.382  -0.113
  201   HD23  LEU  27          HD23      LEU  27  65.596   4.195   0.232
  202    H    SER  28           HN       SER  28  63.872   7.692   1.823
  203    HA   SER  28           HA       SER  28  62.398   6.646   4.167
  204    HB2  SER  28           HB2      SER  28  62.152   9.094   3.958
  205    HB3  SER  28           HB1      SER  28  61.574   8.892   2.307
  206    HG   SER  28           HG       SER  28  60.062   8.977   4.319
  207    H    GLN  29           HN       GLN  29  61.889   4.650   3.507
  208    HA   GLN  29           HA       GLN  29  59.768   4.207   1.697
  209    HB2  GLN  29           HB2      GLN  29  61.139   2.572   0.232
  210    HB3  GLN  29           HB1      GLN  29  61.249   4.285  -0.131
  211    HG2  GLN  29           HG2      GLN  29  63.388   4.495   0.744
  212    HG3  GLN  29           HG1      GLN  29  63.214   3.096   1.796
  213   HE21  GLN  29          HE21      GLN  29  62.450   3.121  -1.729
  214   HE22  GLN  29          HE22      GLN  29  63.676   2.020  -2.142
  215    HA   PRO  30           HA       PRO  30  60.589   1.127   5.011
  216    HB2  PRO  30           HB2      PRO  30  57.768   1.133   5.678
  217    HB3  PRO  30           HB1      PRO  30  59.120   1.743   6.638
  218    HG2  PRO  30           HG2      PRO  30  57.148   3.299   5.400
  219    HG3  PRO  30           HG1      PRO  30  58.677   3.888   6.074
  220    HD2  PRO  30           HD2      PRO  30  57.926   3.469   3.232
  221    HD3  PRO  30           HD1      PRO  30  59.167   4.525   3.924
  222    H    GLU  31           HN       GLU  31  60.091   0.710   2.144
  223    HA   GLU  31           HA       GLU  31  59.077  -2.012   2.304
  224    HB2  GLU  31           HB2      GLU  31  57.569  -1.732   0.368
  225    HB3  GLU  31           HB1      GLU  31  57.041  -0.745   1.731
  226    HG2  GLU  31           HG2      GLU  31  58.780   0.363  -0.493
  227    HG3  GLU  31           HG1      GLU  31  57.025   0.389  -0.561
  228    H    VAL  32           HN       VAL  32  59.537  -3.134   0.117
  229    HA   VAL  32           HA       VAL  32  61.761  -1.816  -1.305
  230    HB   VAL  32           HB       VAL  32  63.280  -3.542  -0.987
  231   HG11  VAL  32          HG11      VAL  32  61.829  -3.532   1.661
  232   HG12  VAL  32          HG12      VAL  32  62.744  -2.152   1.061
  233   HG13  VAL  32          HG13      VAL  32  63.564  -3.681   1.372
  234   HG21  VAL  32          HG21      VAL  32  61.957  -5.487  -1.492
  235   HG22  VAL  32          HG22      VAL  32  60.921  -5.229  -0.089
  236   HG23  VAL  32          HG23      VAL  32  62.600  -5.740   0.129
  237    H    ALA  33           HN       ALA  33  61.484  -1.877  -3.366
  238    HA   ALA  33           HA       ALA  33  59.774  -3.991  -4.551
  239    HB1  ALA  33           HB1      ALA  33  58.935  -1.643  -4.739
  240    HB2  ALA  33           HB2      ALA  33  59.230  -2.414  -6.295
  241    HB3  ALA  33           HB3      ALA  33  60.383  -1.241  -5.659
  242    H    ALA  34           HN       ALA  34  62.769  -2.146  -4.832
  243    HA   ALA  34           HA       ALA  34  64.115  -4.317  -6.103
  244    HB1  ALA  34           HB1      ALA  34  63.794  -1.889  -7.858
  245    HB2  ALA  34           HB2      ALA  34  62.691  -3.259  -7.962
  246    HB3  ALA  34           HB3      ALA  34  64.413  -3.486  -8.290
  247    H    HIS  35           HN       HIS  35  66.150  -4.185  -5.346
  248    HA   HIS  35           HA       HIS  35  67.491  -1.563  -5.233
  249    HB2  HIS  35           HB2      HIS  35  67.039  -3.415  -2.887
  250    HB3  HIS  35           HB1      HIS  35  68.391  -2.280  -2.918
  251    HD1  HIS  35           HD1      HIS  35  64.604  -2.343  -3.029
  252    HD2  HIS  35           HD2      HIS  35  67.700   0.346  -2.317
  253    HE1  HIS  35           HE1      HIS  35  63.526  -0.227  -2.150
  254    H    THR  36           HN       THR  36  69.538  -1.667  -5.950
  255    HA   THR  36           HA       THR  36  70.968  -4.275  -5.924
  256    HB   THR  36           HB       THR  36  70.819  -2.265  -8.183
  257    HG1  THR  36           HG1      THR  36  69.677  -4.687  -7.590
  258   HG21  THR  36          HG21      THR  36  73.083  -2.980  -8.132
  259   HG22  THR  36          HG22      THR  36  72.308  -4.023  -9.320
  260   HG23  THR  36          HG23      THR  36  72.638  -4.628  -7.697
  261    H    TRP  37           HN       TRP  37  72.932  -4.147  -4.980
  262    HA   TRP  37           HA       TRP  37  74.236  -1.481  -4.759
  263    HB2  TRP  37           HB2      TRP  37  73.240  -2.565  -2.618
  264    HB3  TRP  37           HB1      TRP  37  74.595  -3.684  -2.725
  265    HD1  TRP  37           HD1      TRP  37  76.837  -1.610  -3.715
  266    HE1  TRP  37           HE1      TRP  37  77.707   0.168  -2.104
  267    HE3  TRP  37           HE3      TRP  37  73.000  -1.516  -0.335
  268    HZ2  TRP  37           HZ2      TRP  37  76.924   1.464   0.285
  269    HZ3  TRP  37           HZ3      TRP  37  73.103   0.019   1.601
  270    HH2  TRP  37           HH2      TRP  37  75.056   1.509   1.925
  271    H    LEU  38           HN       LEU  38  75.852  -1.520  -6.159
  272    HA   LEU  38           HA       LEU  38  77.739  -3.805  -6.059
  273    HB2  LEU  38           HB2      LEU  38  76.812  -2.347  -8.549
  274    HB3  LEU  38           HB1      LEU  38  78.035  -3.609  -8.492
  275    HG   LEU  38           HG       LEU  38  75.152  -3.988  -7.613
  276   HD11  LEU  38          HD11      LEU  38  75.033  -5.364  -9.751
  277   HD12  LEU  38          HD12      LEU  38  76.568  -4.644 -10.215
  278   HD13  LEU  38          HD13      LEU  38  75.148  -3.621  -9.992
  279   HD21  LEU  38          HD21      LEU  38  76.004  -6.481  -8.050
  280   HD22  LEU  38          HD22      LEU  38  76.330  -5.690  -6.518
  281   HD23  LEU  38          HD23      LEU  38  77.583  -5.769  -7.749
  282    H    LEU  39           HN       LEU  39  79.515  -2.984  -5.152
  283    HA   LEU  39           HA       LEU  39  80.397  -0.250  -5.773
  284    HB2  LEU  39           HB2      LEU  39  82.389  -1.304  -4.151
  285    HB3  LEU  39           HB1      LEU  39  81.021  -0.398  -3.564
  286    HG   LEU  39           HG       LEU  39  79.787  -2.661  -3.387
  287   HD11  LEU  39          HD11      LEU  39  81.461  -4.555  -2.960
  288   HD12  LEU  39          HD12      LEU  39  82.668  -3.560  -3.748
  289   HD13  LEU  39          HD13      LEU  39  81.254  -4.108  -4.653
  290   HD21  LEU  39          HD21      LEU  39  80.893  -3.148  -1.203
  291   HD22  LEU  39          HD22      LEU  39  80.549  -1.434  -1.419
  292   HD23  LEU  39          HD23      LEU  39  82.189  -2.038  -1.643
  293    H    ASP  40           HN       ASP  40  82.834  -2.596  -5.226
  294    HA   ASP  40           HA       ASP  40  83.958  -2.278  -7.809
  295    HB2  ASP  40           HB2      ASP  40  85.214  -3.118  -5.773
  296    HB3  ASP  40           HB1      ASP  40  84.305  -4.619  -5.896
  297    H    ASP  41           HN       ASP  41  83.909  -4.206  -9.374
  298    HA   ASP  41           HA       ASP  41  81.220  -4.832  -9.921
  299    HB2  ASP  41           HB2      ASP  41  82.132  -6.219 -11.754
  300    HB3  ASP  41           HB1      ASP  41  82.878  -4.619 -11.693
  301    H    GLU  42           HN       GLU  42  81.691  -5.817  -7.279
  302    HA   GLU  42           HA       GLU  42  81.176  -8.707  -7.728
  303    HB2  GLU  42           HB2      GLU  42  83.222  -7.465  -5.900
  304    HB3  GLU  42           HB1      GLU  42  82.495  -9.017  -5.474
  305    HG2  GLU  42           HG2      GLU  42  83.247  -9.985  -7.589
  306    HG3  GLU  42           HG1      GLU  42  83.866  -8.424  -8.117
  307    HA   PRO  43           HA       PRO  43  77.611  -7.619  -5.188
  308    HB2  PRO  43           HB2      PRO  43  77.378 -10.285  -4.043
  309    HB3  PRO  43           HB1      PRO  43  76.356  -9.527  -5.272
  310    HG2  PRO  43           HG2      PRO  43  78.351 -11.566  -5.623
  311    HG3  PRO  43           HG1      PRO  43  77.275 -10.859  -6.835
  312    HD2  PRO  43           HD2      PRO  43  80.101 -10.463  -6.612
  313    HD3  PRO  43           HD1      PRO  43  78.991  -9.628  -7.715
  314    H    VAL  44           HN       VAL  44  77.455  -6.805  -3.149
  315    HA   VAL  44           HA       VAL  44  79.762  -6.960  -1.477
  316    HB   VAL  44           HB       VAL  44  77.127  -5.705  -0.769
  317   HG11  VAL  44          HG11      VAL  44  78.678  -4.040   0.298
  318   HG12  VAL  44          HG12      VAL  44  80.024  -5.086  -0.131
  319   HG13  VAL  44          HG13      VAL  44  78.794  -5.654   0.995
  320   HG21  VAL  44          HG21      VAL  44  78.171  -3.662  -1.935
  321   HG22  VAL  44          HG22      VAL  44  77.483  -4.917  -2.966
  322   HG23  VAL  44          HG23      VAL  44  79.219  -4.825  -2.737
  323    H    ARG  45           HN       ARG  45  79.735  -9.224  -0.874
  324    HA   ARG  45           HA       ARG  45  78.473  -9.588   1.696
  325    HB2  ARG  45           HB2      ARG  45  77.851 -11.458  -0.590
  326    HB3  ARG  45           HB1      ARG  45  77.654 -11.905   1.112
  327    HG2  ARG  45           HG2      ARG  45  76.190  -9.874   1.399
  328    HG3  ARG  45           HG1      ARG  45  76.281  -9.622  -0.348
  329    HD2  ARG  45           HD2      ARG  45  75.360 -11.876  -0.705
  330    HD3  ARG  45           HD1      ARG  45  75.221 -12.078   1.033
  331    HE   ARG  45           HE       ARG  45  73.511 -10.434  -0.668
  332   HH11  ARG  45          HH21      ARG  45  73.108 -12.438   1.780
  333   HH12  ARG  45          HH22      ARG  45  72.309 -11.361   2.887
  334   HH21  ARG  45          HH11      ARG  45  73.107  -8.499   1.093
  335   HH22  ARG  45          HH12      ARG  45  72.339  -9.126   2.507
  336    H    THR  46           HN       THR  46  79.951 -11.480  -0.785
  337    HA   THR  46           HA       THR  46  81.686 -13.073  -0.629
  338    HB   THR  46           HB       THR  46  82.689 -11.447  -1.913
  339    HG1  THR  46           HG1      THR  46  84.708 -10.886  -0.512
  340   HG21  THR  46          HG21      THR  46  83.480  -9.266  -0.836
  341   HG22  THR  46          HG22      THR  46  82.522  -9.734   0.570
  342   HG23  THR  46          HG23      THR  46  81.737  -9.479  -0.987
  343    H    SER  47           HN       SER  47  82.311 -10.746   2.053
  344    HA   SER  47           HA       SER  47  82.693 -12.832   3.941
  345    HB2  SER  47           HB2      SER  47  85.012 -12.995   4.167
  346    HB3  SER  47           HB1      SER  47  84.813 -12.923   2.415
  347    HG   SER  47           HG       SER  47  85.600 -10.928   2.397
  348    H    GLU  48           HN       GLU  48  83.626 -11.952   6.063
  349    HA   GLU  48           HA       GLU  48  82.276  -9.734   6.967
  350    HB2  GLU  48           HB2      GLU  48  85.016 -10.671   7.853
  351    HB3  GLU  48           HB1      GLU  48  83.959  -9.607   8.778
  352    HG2  GLU  48           HG2      GLU  48  83.242 -12.422   7.905
  353    HG3  GLU  48           HG1      GLU  48  83.804 -11.978   9.515
  354    H    ASN  49           HN       ASN  49  85.316  -9.910   5.289
  355    HA   ASN  49           HA       ASN  49  86.173  -7.224   5.595
  356    HB2  ASN  49           HB2      ASN  49  87.677  -8.956   4.739
  357    HB3  ASN  49           HB1      ASN  49  86.687  -9.115   3.287
  358   HD21  ASN  49          HD21      ASN  49  88.775  -8.446   2.132
  359   HD22  ASN  49          HD22      ASN  49  89.128  -6.788   2.023
  360    H    ALA  50           HN       ALA  50  83.326  -8.148   4.452
  361    HA   ALA  50           HA       ALA  50  82.543  -5.731   3.371
  362    HB1  ALA  50           HB1      ALA  50  82.179  -6.550   0.939
  363    HB2  ALA  50           HB2      ALA  50  83.454  -7.716   1.303
  364    HB3  ALA  50           HB3      ALA  50  83.789  -5.987   1.391
  365    H    GLU  51           HN       GLU  51  80.382  -5.706   3.713
  366    HA   GLU  51           HA       GLU  51  78.591  -7.651   2.787
  367    HB2  GLU  51           HB2      GLU  51  79.587  -9.145   4.501
  368    HB3  GLU  51           HB1      GLU  51  79.174  -7.971   5.745
  369    HG2  GLU  51           HG2      GLU  51  76.786  -8.217   5.236
  370    HG3  GLU  51           HG1      GLU  51  77.162  -9.314   3.904
  371    H    VAL  52           HN       VAL  52  76.473  -6.879   2.842
  372    HA   VAL  52           HA       VAL  52  76.149  -4.314   4.207
  373    HB   VAL  52           HB       VAL  52  74.031  -5.558   2.489
  374   HG11  VAL  52          HG11      VAL  52  73.814  -3.270   3.454
  375   HG12  VAL  52          HG12      VAL  52  73.789  -3.279   1.689
  376   HG13  VAL  52          HG13      VAL  52  75.245  -2.783   2.547
  377   HG21  VAL  52          HG21      VAL  52  75.357  -4.681   0.470
  378   HG22  VAL  52          HG22      VAL  52  75.880  -6.204   1.177
  379   HG23  VAL  52          HG23      VAL  52  76.763  -4.719   1.525
  380    H    VAL  53           HN       VAL  53  74.353  -3.877   5.483
  381    HA   VAL  53           HA       VAL  53  72.734  -6.089   6.507
  382    HB   VAL  53           HB       VAL  53  74.553  -6.184   8.035
  383   HG11  VAL  53          HG11      VAL  53  74.358  -3.159   8.160
  384   HG12  VAL  53          HG12      VAL  53  75.642  -4.093   7.393
  385   HG13  VAL  53          HG13      VAL  53  75.446  -4.143   9.146
  386   HG21  VAL  53          HG21      VAL  53  73.539  -5.493  10.149
  387   HG22  VAL  53          HG22      VAL  53  72.288  -6.127   9.084
  388   HG23  VAL  53          HG23      VAL  53  72.459  -4.386   9.311
  389    H    PHE  54           HN       PHE  54  70.814  -5.421   7.503
  390    HA   PHE  54           HA       PHE  54  69.972  -2.675   6.779
  391    HB2  PHE  54           HB2      PHE  54  68.556  -5.315   7.022
  392    HB3  PHE  54           HB1      PHE  54  67.632  -3.833   7.228
  393    HD1  PHE  54           HD2      PHE  54  70.355  -5.037   4.924
  394    HD2  PHE  54           HD1      PHE  54  66.523  -3.124   5.308
  395    HE1  PHE  54           HE2      PHE  54  70.232  -4.795   2.457
  396    HE2  PHE  54           HE1      PHE  54  66.403  -2.885   2.838
  397    HZ   PHE  54           HZ       PHE  54  68.255  -3.719   1.412
  398    H    PHE  55           HN       PHE  55  69.023  -1.335   8.192
  399    HA   PHE  55           HA       PHE  55  68.555  -2.183  10.967
  400    HB2  PHE  55           HB2      PHE  55  70.271   0.130  10.067
  401    HB3  PHE  55           HB1      PHE  55  69.508   0.102  11.649
  402    HD1  PHE  55           HD2      PHE  55  72.063  -1.479   9.500
  403    HD2  PHE  55           HD1      PHE  55  70.176  -1.461  13.357
  404    HE1  PHE  55           HE2      PHE  55  73.913  -2.857  10.414
  405    HE2  PHE  55           HE1      PHE  55  72.029  -2.830  14.271
  406    HZ   PHE  55           HZ       PHE  55  73.899  -3.528  12.799
  407    H    GLU  56           HN       GLU  56  66.838  -1.122  11.920
  408    HA   GLU  56           HA       GLU  56  64.787  -0.094  11.935
  409    HB2  GLU  56           HB2      GLU  56  66.369   1.935  10.345
  410    HB3  GLU  56           HB1      GLU  56  64.731   2.211  10.949
  411    HG2  GLU  56           HG2      GLU  56  65.481   1.828  13.245
  412    HG3  GLU  56           HG1      GLU  56  67.118   1.493  12.669
  413    H    ASN  57           HN       ASN  57  65.175  -2.086  10.000
  414    HA   ASN  57           HA       ASN  57  64.128  -3.031   8.202
  415    HB2  ASN  57           HB2      ASN  57  62.233  -0.675   8.379
  416    HB3  ASN  57           HB1      ASN  57  61.943  -2.204   7.560
  417   HD21  ASN  57          HD21      ASN  57  61.229  -0.610  10.392
  418   HD22  ASN  57          HD22      ASN  57  60.985  -1.954  11.401
  419    H    GLY  58           HN       GLY  58  66.370  -1.444   7.595
  420    HA2  GLY  58           HA2      GLY  58  67.430  -0.860   5.610
  421    HA3  GLY  58           HA1      GLY  58  65.881  -0.967   4.781
  422    H    LEU  59           HN       LEU  59  65.277   0.961   7.358
  423    HA   LEU  59           HA       LEU  59  65.066   3.312   5.809
  424    HB2  LEU  59           HB2      LEU  59  63.874   2.642   8.015
  425    HB3  LEU  59           HB1      LEU  59  65.290   3.311   8.811
  426    HG   LEU  59           HG       LEU  59  64.896   5.411   7.336
  427   HD11  LEU  59          HD11      LEU  59  62.326   5.649   6.929
  428   HD12  LEU  59          HD12      LEU  59  62.306   3.884   6.967
  429   HD13  LEU  59          HD13      LEU  59  63.269   4.733   5.761
  430   HD21  LEU  59          HD21      LEU  59  63.190   6.271   8.978
  431   HD22  LEU  59          HD22      LEU  59  64.549   5.445   9.745
  432   HD23  LEU  59          HD23      LEU  59  62.998   4.626   9.576
  433    H    ARG  60           HN       ARG  60  67.623   1.796   7.440
  434    HA   ARG  60           HA       ARG  60  69.501   3.933   6.722
  435    HB2  ARG  60           HB2      ARG  60  69.257   2.762   9.510
  436    HB3  ARG  60           HB1      ARG  60  70.619   3.727   8.948
  437    HG2  ARG  60           HG2      ARG  60  69.135   5.628   8.520
  438    HG3  ARG  60           HG1      ARG  60  67.740   4.668   9.032
  439    HD2  ARG  60           HD2      ARG  60  68.784   4.376  11.263
  440    HD3  ARG  60           HD1      ARG  60  70.124   5.395  10.750
  441    HE   ARG  60           HE       ARG  60  67.702   6.799  10.343
  442   HH11  ARG  60          HH11      ARG  60  70.379   6.546  12.338
  443   HH12  ARG  60          HH12      ARG  60  69.674   7.332  13.712
  444   HH21  ARG  60          HH21      ARG  60  66.487   7.447  12.320
  445   HH22  ARG  60          HH22      ARG  60  67.456   7.851  13.703
  446    H    HIS  61           HN       HIS  61  70.379   2.507   5.162
  447    HA   HIS  61           HA       HIS  61  71.164  -0.173   5.917
  448    HB2  HIS  61           HB2      HIS  61  71.699   1.439   3.425
  449    HB3  HIS  61           HB1      HIS  61  72.099  -0.264   3.632
  450    HD1  HIS  61           HD1      HIS  61  69.409   1.959   2.612
  451    HD2  HIS  61           HD2      HIS  61  69.652  -1.925   4.108
  452    HE1  HIS  61           HE1      HIS  61  67.172   0.871   2.148
  453    H    LEU  62           HN       LEU  62  73.024  -0.744   6.798
  454    HA   LEU  62           HA       LEU  62  75.311   1.160   6.781
  455    HB2  LEU  62           HB2      LEU  62  74.347  -0.856   8.798
  456    HB3  LEU  62           HB1      LEU  62  76.034  -0.349   8.784
  457    HG   LEU  62           HG       LEU  62  75.350   1.999   9.050
  458   HD11  LEU  62          HD11      LEU  62  73.267   2.365   8.124
  459   HD12  LEU  62          HD12      LEU  62  72.796   2.195   9.809
  460   HD13  LEU  62          HD13      LEU  62  72.622   0.833   8.704
  461   HD21  LEU  62          HD21      LEU  62  75.656   0.373  11.002
  462   HD22  LEU  62          HD22      LEU  62  73.897   0.351  11.109
  463   HD23  LEU  62          HD23      LEU  62  74.772   1.856  11.344
  464    H    LEU  63           HN       LEU  63  77.144   0.544   5.809
  465    HA   LEU  63           HA       LEU  63  77.502  -2.328   5.104
  466    HB2  LEU  63           HB2      LEU  63  77.011  -1.185   3.062
  467    HB3  LEU  63           HB1      LEU  63  78.084   0.146   3.464
  468    HG   LEU  63           HG       LEU  63  80.038  -1.264   3.201
  469   HD11  LEU  63          HD11      LEU  63  79.626  -3.683   2.378
  470   HD12  LEU  63          HD12      LEU  63  78.006  -3.487   3.042
  471   HD13  LEU  63          HD13      LEU  63  79.400  -3.370   4.091
  472   HD21  LEU  63          HD21      LEU  63  79.850  -1.800   0.826
  473   HD22  LEU  63          HD22      LEU  63  78.956  -0.313   1.160
  474   HD23  LEU  63          HD23      LEU  63  78.094  -1.837   0.949
  475    H    LEU  64           HN       LEU  64  79.202  -3.187   6.189
  476    HA   LEU  64           HA       LEU  64  81.358  -1.396   7.090
  477    HB2  LEU  64           HB2      LEU  64  80.085  -2.938   8.670
  478    HB3  LEU  64           HB1      LEU  64  80.877  -4.280   7.838
  479    HG   LEU  64           HG       LEU  64  83.096  -3.062   8.325
  480   HD11  LEU  64          HD11      LEU  64  82.795  -1.706  10.566
  481   HD12  LEU  64          HD12      LEU  64  81.169  -1.439   9.973
  482   HD13  LEU  64          HD13      LEU  64  82.555  -0.905   9.022
  483   HD21  LEU  64          HD21      LEU  64  82.477  -5.096   9.479
  484   HD22  LEU  64          HD22      LEU  64  81.391  -4.208  10.551
  485   HD23  LEU  64          HD23      LEU  64  83.135  -3.971  10.662
  486    H    LEU  65           HN       LEU  65  83.182  -1.337   5.985
  487    HA   LEU  65           HA       LEU  65  84.117  -3.755   4.518
  488    HB2  LEU  65           HB2      LEU  65  84.714  -0.874   3.778
  489    HB3  LEU  65           HB1      LEU  65  85.111  -2.318   2.854
  490    HG   LEU  65           HG       LEU  65  82.332  -1.286   3.450
  491   HD11  LEU  65          HD11      LEU  65  83.604   0.022   1.770
  492   HD12  LEU  65          HD12      LEU  65  82.252  -0.838   1.035
  493   HD13  LEU  65          HD13      LEU  65  83.896  -1.458   0.856
  494   HD21  LEU  65          HD21      LEU  65  81.921  -3.545   3.273
  495   HD22  LEU  65          HD22      LEU  65  83.360  -3.856   2.310
  496   HD23  LEU  65          HD23      LEU  65  81.929  -3.156   1.561
  497    H    LYS  66           HN       LYS  66  85.765  -4.572   5.867
  498    HA   LYS  66           HA       LYS  66  87.477  -2.661   7.267
  499    HB2  LYS  66           HB2      LYS  66  86.185  -4.922   8.061
  500    HB3  LYS  66           HB1      LYS  66  87.742  -5.616   7.643
  501    HG2  LYS  66           HG2      LYS  66  88.870  -4.113   9.207
  502    HG3  LYS  66           HG1      LYS  66  87.365  -3.270   9.516
  503    HD2  LYS  66           HD2      LYS  66  87.501  -4.724  11.356
  504    HD3  LYS  66           HD1      LYS  66  86.447  -5.594  10.251
  505    HE2  LYS  66           HE2      LYS  66  88.229  -7.045  11.237
  506    HE3  LYS  66           HE1      LYS  66  88.319  -6.963   9.476
  507    HZ1  LYS  66           HZ1      LYS  66  90.485  -6.677  10.669
  508    HZ2  LYS  66           HZ2      LYS  66  89.896  -5.203  11.272
  509    HZ3  LYS  66           HZ3      LYS  66  90.094  -5.421   9.601
  510    H    ASN  67           HN       ASN  67  89.674  -4.190   7.631
  511    HA   ASN  67           HA       ASN  67  91.825  -4.203   6.686
  512    HB2  ASN  67           HB2      ASN  67  90.732  -6.530   6.517
  513    HB3  ASN  67           HB1      ASN  67  90.537  -6.175   4.800
  514   HD21  ASN  67          HD21      ASN  67  92.112  -7.873   4.253
  515   HD22  ASN  67          HD22      ASN  67  93.769  -7.631   4.511
  516    H    LEU  68           HN       LEU  68  90.670  -1.967   5.636
  517    HA   LEU  68           HA       LEU  68  90.400  -1.908   2.823
  518    HB2  LEU  68           HB2      LEU  68  91.165   0.342   4.675
  519    HB3  LEU  68           HB1      LEU  68  90.490   0.516   3.058
  520    HG   LEU  68           HG       LEU  68  89.124  -0.865   5.385
  521   HD11  LEU  68          HD11      LEU  68  87.788   1.077   5.616
  522   HD12  LEU  68          HD12      LEU  68  88.391   1.777   4.113
  523   HD13  LEU  68          HD13      LEU  68  89.445   1.661   5.526
  524   HD21  LEU  68          HD21      LEU  68  88.172  -1.848   3.475
  525   HD22  LEU  68          HD22      LEU  68  88.352  -0.385   2.503
  526   HD23  LEU  68          HD23      LEU  68  87.105  -0.473   3.743
  527    H    ARG  69           HN       ARG  69  91.948  -2.497   1.472
  528    HA   ARG  69           HA       ARG  69  94.703  -1.458   1.816
  529    HB2  ARG  69           HB2      ARG  69  94.202  -3.523  -0.269
  530    HB3  ARG  69           HB1      ARG  69  95.488  -3.437   0.941
  531    HG2  ARG  69           HG2      ARG  69  93.827  -4.138   2.674
  532    HG3  ARG  69           HG1      ARG  69  92.634  -4.352   1.396
  533    HD2  ARG  69           HD2      ARG  69  93.963  -6.069   0.342
  534    HD3  ARG  69           HD1      ARG  69  95.317  -5.749   1.421
  535    HE   ARG  69           HE       ARG  69  93.256  -6.376   3.107
  536   HH11  ARG  69          HH21      ARG  69  92.973  -7.947   0.287
  537   HH12  ARG  69          HH22      ARG  69  93.417  -9.528   0.861
  538   HH21  ARG  69          HH11      ARG  69  94.647  -8.344   3.879
  539   HH22  ARG  69          HH12      ARG  69  94.386  -9.747   2.902
  540    HA   PRO  70           HA       PRO  70  94.240   0.984  -1.840
  541    HB2  PRO  70           HB2      PRO  70  96.302  -0.168  -3.539
  542    HB3  PRO  70           HB1      PRO  70  96.368   1.334  -2.603
  543    HG2  PRO  70           HG2      PRO  70  97.801  -1.003  -2.060
  544    HG3  PRO  70           HG1      PRO  70  97.550   0.350  -0.953
  545    HD2  PRO  70           HD2      PRO  70  96.261  -2.321  -0.948
  546    HD3  PRO  70           HD1      PRO  70  96.476  -1.168   0.387
  547    H    GLN  71           HN       GLN  71  94.294  -2.436  -2.307
  548    HA   GLN  71           HA       GLN  71  93.385  -2.596  -4.973
  549    HB2  GLN  71           HB2      GLN  71  94.269  -4.559  -3.766
  550    HB3  GLN  71           HB1      GLN  71  92.856  -4.546  -2.708
  551    HG2  GLN  71           HG2      GLN  71  91.386  -4.907  -4.664
  552    HG3  GLN  71           HG1      GLN  71  92.789  -4.897  -5.728
  553   HE21  GLN  71          HE21      GLN  71  91.053  -7.158  -5.554
  554   HE22  GLN  71          HE22      GLN  71  91.922  -8.435  -4.856
  555    H    ASP  72           HN       ASP  72  91.398  -3.141  -2.018
  556    HA   ASP  72           HA       ASP  72  88.954  -3.180  -3.158
  557    HB2  ASP  72           HB2      ASP  72  88.053  -2.395  -1.026
  558    HB3  ASP  72           HB1      ASP  72  89.369  -3.536  -0.763
  559    H    SER  73           HN       SER  73  90.782  -0.130  -2.403
  560    HA   SER  73           HA       SER  73  88.985   1.790  -2.537
  561    HB2  SER  73           HB2      SER  73  91.489   2.039  -2.636
  562    HB3  SER  73           HB1      SER  73  91.363   1.845  -4.386
  563    HG   SER  73           HG       SER  73  90.502   3.936  -2.731
  564    H    CYS  74           HN       CYS  74  87.148   2.017  -3.640
  565    HA   CYS  74           HA       CYS  74  87.201   2.260  -6.511
  566    HB2  CYS  74           HB2      CYS  74  85.709   0.442  -7.054
  567    HB3  CYS  74           HB1      CYS  74  87.117  -0.215  -6.214
  568    HG   CYS  74           HG       CYS  74  84.245  -0.068  -5.066
  569    H    ARG  75           HN       ARG  75  84.650   2.124  -7.236
  570    HA   ARG  75           HA       ARG  75  83.428   4.296  -5.714
  571    HB2  ARG  75           HB2      ARG  75  82.092   3.046  -8.097
  572    HB3  ARG  75           HB1      ARG  75  82.086   4.724  -7.560
  573    HG2  ARG  75           HG2      ARG  75  84.118   3.255  -9.203
  574    HG3  ARG  75           HG1      ARG  75  83.442   4.863  -9.422
  575    HD2  ARG  75           HD2      ARG  75  84.768   5.347  -7.164
  576    HD3  ARG  75           HD1      ARG  75  85.746   3.992  -7.727
  577    HE   ARG  75           HE       ARG  75  85.658   6.622  -8.868
  578   HH11  ARG  75          HH11      ARG  75  87.358   3.784  -8.841
  579   HH12  ARG  75          HH12      ARG  75  87.776   3.770 -10.525
  580   HH21  ARG  75          HH21      ARG  75  85.647   6.390 -11.335
  581   HH22  ARG  75          HH22      ARG  75  86.802   5.252 -11.939
  582    H    VAL  76           HN       VAL  76  81.322   4.287  -4.946
  583    HA   VAL  76           HA       VAL  76  80.214   1.596  -4.369
  584    HB   VAL  76           HB       VAL  76  79.899   4.082  -2.678
  585   HG11  VAL  76          HG11      VAL  76  79.330   1.148  -2.161
  586   HG12  VAL  76          HG12      VAL  76  78.116   2.375  -2.514
  587   HG13  VAL  76          HG13      VAL  76  79.058   2.468  -1.022
  588   HG21  VAL  76          HG21      VAL  76  81.440   2.684  -1.116
  589   HG22  VAL  76          HG22      VAL  76  82.195   3.571  -2.436
  590   HG23  VAL  76          HG23      VAL  76  81.921   1.833  -2.578
  591    H    THR  77           HN       THR  77  78.409   1.251  -5.467
  592    HA   THR  77           HA       THR  77  76.695   3.578  -6.151
  593    HB   THR  77           HB       THR  77  77.119   1.007  -7.694
  594    HG1  THR  77           HG1      THR  77  77.563   3.335  -8.970
  595   HG21  THR  77          HG21      THR  77  74.888   1.595  -8.120
  596   HG22  THR  77          HG22      THR  77  75.760   2.422  -9.406
  597   HG23  THR  77          HG23      THR  77  75.216   3.323  -7.992
  598    H    PHE  78           HN       PHE  78  74.800   3.622  -5.260
  599    HA   PHE  78           HA       PHE  78  73.448   1.092  -4.486
  600    HB2  PHE  78           HB2      PHE  78  74.250   2.454  -2.528
  601    HB3  PHE  78           HB1      PHE  78  73.265   3.798  -3.101
  602    HD1  PHE  78           HD1      PHE  78  72.898   0.115  -2.442
  603    HD2  PHE  78           HD2      PHE  78  71.144   4.028  -2.119
  604    HE1  PHE  78           HE1      PHE  78  70.954  -0.852  -1.249
  605    HE2  PHE  78           HE2      PHE  78  69.193   3.051  -0.936
  606    HZ   PHE  78           HZ       PHE  78  69.104   0.614  -0.495
  607    H    LEU  79           HN       LEU  79  71.763   0.813  -5.910
  608    HA   LEU  79           HA       LEU  79  70.435   3.230  -7.013
  609    HB2  LEU  79           HB2      LEU  79  71.621   1.571  -8.547
  610    HB3  LEU  79           HB1      LEU  79  70.332   0.442  -8.167
  611    HG   LEU  79           HG       LEU  79  69.752   3.234  -9.202
  612   HD11  LEU  79          HD11      LEU  79  69.514   2.167 -11.461
  613   HD12  LEU  79          HD12      LEU  79  70.275   0.714 -10.804
  614   HD13  LEU  79          HD13      LEU  79  71.180   2.234 -10.880
  615   HD21  LEU  79          HD21      LEU  79  67.734   2.312  -8.439
  616   HD22  LEU  79          HD22      LEU  79  68.184   0.673  -8.893
  617   HD23  LEU  79          HD23      LEU  79  67.722   1.841 -10.133
  618    H    ALA  80           HN       ALA  80  68.921   3.542  -5.334
  619    HA   ALA  80           HA       ALA  80  66.889   1.427  -4.921
  620    HB1  ALA  80           HB1      ALA  80  66.258   2.591  -2.932
  621    HB2  ALA  80           HB2      ALA  80  67.160   4.030  -3.398
  622    HB3  ALA  80           HB3      ALA  80  68.019   2.565  -2.933
  623    H    GLY  81           HN       GLY  81  65.696   1.702  -6.850
  624    HA2  GLY  81           HA2      GLY  81  64.123   2.660  -8.256
  625    HA3  GLY  81           HA1      GLY  81  63.568   3.492  -6.808
  626    H    ASP  82           HN       ASP  82  63.066   5.308  -8.257
  627    HA   ASP  82           HA       ASP  82  64.731   6.714  -9.909
  628    HB2  ASP  82           HB2      ASP  82  62.537   7.587  -8.024
  629    HB3  ASP  82           HB1      ASP  82  63.335   8.733  -9.102
  630    H    MET  83           HN       MET  83  65.709   6.055  -6.856
  631    HA   MET  83           HA       MET  83  67.179   8.623  -6.552
  632    HB2  MET  83           HB2      MET  83  66.245   6.622  -4.498
  633    HB3  MET  83           HB1      MET  83  67.329   7.960  -4.139
  634    HG2  MET  83           HG2      MET  83  65.559   9.395  -3.983
  635    HG3  MET  83           HG1      MET  83  65.042   8.979  -5.610
  636    HE1  MET  83           HE1      MET  83  65.521   7.660  -2.209
  637    HE2  MET  83           HE2      MET  83  65.027   6.029  -2.628
  638    HE3  MET  83           HE3      MET  83  63.969   7.043  -1.650
  639    H    VAL  84           HN       VAL  84  69.317   8.528  -6.799
  640    HA   VAL  84           HA       VAL  84  70.699   5.946  -6.323
  641    HB   VAL  84           HB       VAL  84  70.520   6.109  -8.696
  642   HG11  VAL  84          HG11      VAL  84  71.590   8.941  -8.464
  643   HG12  VAL  84          HG12      VAL  84  69.899   8.529  -8.757
  644   HG13  VAL  84          HG13      VAL  84  71.119   8.115  -9.950
  645   HG21  VAL  84          HG21      VAL  84  73.235   7.267  -8.006
  646   HG22  VAL  84          HG22      VAL  84  72.839   6.165  -9.324
  647   HG23  VAL  84          HG23      VAL  84  72.784   5.597  -7.655
  648    H    THR  85           HN       THR  85  72.478   6.079  -5.102
  649    HA   THR  85           HA       THR  85  73.710   8.726  -4.565
  650    HB   THR  85           HB       THR  85  73.647   8.350  -2.256
  651    HG1  THR  85           HG1      THR  85  72.963   5.651  -2.600
  652   HG21  THR  85          HG21      THR  85  71.212   6.848  -3.259
  653   HG22  THR  85          HG22      THR  85  71.336   8.599  -3.117
  654   HG23  THR  85          HG23      THR  85  71.390   7.592  -1.673
  655    H    SER  86           HN       SER  86  75.930   8.717  -4.802
  656    HA   SER  86           HA       SER  86  77.452   6.289  -4.308
  657    HB2  SER  86           HB2      SER  86  78.346   6.057  -6.529
  658    HB3  SER  86           HB1      SER  86  76.588   6.026  -6.645
  659    HG   SER  86           HG       SER  86  76.628   8.171  -7.283
  660    H    ALA  87           HN       ALA  87  79.686   6.587  -4.247
  661    HA   ALA  87           HA       ALA  87  80.833   9.212  -4.756
  662    HB1  ALA  87           HB1      ALA  87  79.937   9.629  -2.567
  663    HB2  ALA  87           HB2      ALA  87  81.671   9.388  -2.391
  664    HB3  ALA  87           HB3      ALA  87  80.552   8.093  -1.963
  665    H    PHE  88           HN       PHE  88  83.184   9.228  -4.184
  666    HA   PHE  88           HA       PHE  88  84.392   6.783  -5.148
  667    HB2  PHE  88           HB2      PHE  88  85.576   9.457  -4.361
  668    HB3  PHE  88           HB1      PHE  88  86.482   8.132  -5.090
  669    HD1  PHE  88           HD2      PHE  88  83.743  10.558  -5.607
  670    HD2  PHE  88           HD1      PHE  88  86.247   7.581  -7.424
  671    HE1  PHE  88           HE2      PHE  88  82.945  11.259  -7.840
  672    HE2  PHE  88           HE1      PHE  88  85.441   8.278  -9.668
  673    HZ   PHE  88           HZ       PHE  88  83.791  10.123  -9.873
  674    H    LEU  89           HN       LEU  89  86.437   6.011  -4.080
  675    HA   LEU  89           HA       LEU  89  86.229   5.989  -1.114
  676    HB2  LEU  89           HB2      LEU  89  85.436   3.826  -2.016
  677    HB3  LEU  89           HB1      LEU  89  86.937   3.668  -2.924
  678    HG   LEU  89           HG       LEU  89  88.244   3.449  -0.919
  679   HD11  LEU  89          HD11      LEU  89  86.896   3.352   1.321
  680   HD12  LEU  89          HD12      LEU  89  85.697   4.307   0.450
  681   HD13  LEU  89          HD13      LEU  89  87.330   4.929   0.668
  682   HD21  LEU  89          HD21      LEU  89  85.732   1.828  -0.456
  683   HD22  LEU  89          HD22      LEU  89  87.394   1.368  -0.094
  684   HD23  LEU  89          HD23      LEU  89  86.851   1.477  -1.766
  685    H    THR  90           HN       THR  90  88.143   6.395  -0.065
  686    HA   THR  90           HA       THR  90  90.614   6.504  -1.723
  687    HB   THR  90           HB       THR  90  89.794   8.394   0.499
  688    HG1  THR  90           HG1      THR  90  90.017   8.643  -2.313
  689   HG21  THR  90          HG21      THR  90  92.300   8.114  -1.175
  690   HG22  THR  90          HG22      THR  90  92.166   8.166   0.583
  691   HG23  THR  90          HG23      THR  90  91.874   9.620  -0.363
  692    H    VAL  91           HN       VAL  91  91.915   4.935  -1.105
  693    HA   VAL  91           HA       VAL  91  92.317   4.493   1.805
  694    HB   VAL  91           HB       VAL  91  91.866   2.417  -0.342
  695   HG11  VAL  91          HG11      VAL  91  93.722   1.581   0.916
  696   HG12  VAL  91          HG12      VAL  91  92.299   0.787   1.571
  697   HG13  VAL  91          HG13      VAL  91  93.029   2.138   2.442
  698   HG21  VAL  91          HG21      VAL  91  89.891   3.481   0.841
  699   HG22  VAL  91          HG22      VAL  91  90.513   2.798   2.348
  700   HG23  VAL  91          HG23      VAL  91  90.009   1.731   1.035
  701    H    ARG  92           HN       ARG  92  94.404   4.890   2.289
  702    HA   ARG  92           HA       ARG  92  96.493   4.571   0.251
  703    HB2  ARG  92           HB2      ARG  92  96.539   5.834   3.009
  704    HB3  ARG  92           HB1      ARG  92  97.876   5.855   1.858
  705    HG2  ARG  92           HG2      ARG  92  95.162   6.936   1.097
  706    HG3  ARG  92           HG1      ARG  92  96.315   7.937   1.975
  707    HD2  ARG  92           HD2      ARG  92  97.993   7.474   0.173
  708    HD3  ARG  92           HD1      ARG  92  96.736   6.631  -0.728
  709    HE   ARG  92           HE       ARG  92  96.234   9.418   0.079
  710   HH11  ARG  92          HH21      ARG  92  98.334   9.124  -2.098
  711   HH12  ARG  92          HH22      ARG  92  97.374   9.280  -3.538
  712   HH21  ARG  92          HH11      ARG  92  94.365   8.741  -1.901
  713   HH22  ARG  92          HH12      ARG  92  95.123   9.097  -3.415
  714    H    GLY  93           HN       GLY  93  97.965   2.979   0.318
  715    HA2  GLY  93           HA2      GLY  93  97.733   0.930   2.390
  716    HA3  GLY  93           HA1      GLY  93  98.712   0.838   0.931
  717    H    GLY  94           HN       GLY  94 100.121  -0.090   2.809
  718    HA2  GLY  94           HA2      GLY  94 101.948   2.086   3.650
  719    HA3  GLY  94           HA1      GLY  94 101.438   0.865   4.813
  720    H    LEU  95           HN       LEU  95 101.755  -1.435   4.035
  721    HA   LEU  95           HA       LEU  95 104.389  -1.716   2.688
  722    HB2  LEU  95           HB2      LEU  95 103.117  -3.505   4.787
  723    HB3  LEU  95           HB1      LEU  95 104.722  -3.710   4.074
  724    HG   LEU  95           HG       LEU  95 103.808  -1.334   5.737
  725   HD11  LEU  95          HD11      LEU  95 105.344  -2.222   7.430
  726   HD12  LEU  95          HD12      LEU  95 105.784  -3.553   6.364
  727   HD13  LEU  95          HD13      LEU  95 104.148  -3.446   7.014
  728   HD21  LEU  95          HD21      LEU  95 106.307  -1.939   4.160
  729   HD22  LEU  95          HD22      LEU  95 106.443  -1.006   5.654
  730   HD23  LEU  95          HD23      LEU  95 105.433  -0.413   4.335
  731    H    GLU  96           HN       GLU  96 104.429  -2.965   0.855
  732    HA   GLU  96           HA       GLU  96 101.930  -3.998  -0.185
  733    HB2  GLU  96           HB2      GLU  96 104.747  -4.051  -1.282
  734    HB3  GLU  96           HB1      GLU  96 103.344  -4.666  -2.145
  735    HG2  GLU  96           HG2      GLU  96 102.281  -2.448  -2.013
  736    HG3  GLU  96           HG1      GLU  96 103.689  -1.831  -1.142
  737    H    HIS  97           HN       HIS  97 104.906  -5.788  -0.681
  738    HA   HIS  97           HA       HIS  97 104.111  -7.957   1.091
  739    HB2  HIS  97           HB2      HIS  97 102.707  -8.367  -0.870
  740    HB3  HIS  97           HB1      HIS  97 104.126  -8.342  -1.912
  741    HD1  HIS  97           HD1      HIS  97 103.003 -10.190   1.231
  742    HD2  HIS  97           HD2      HIS  97 105.146 -10.880  -2.276
  743    HE1  HIS  97           HE1      HIS  97 103.645 -12.638   1.257
  744    H    HIS  98           HN       HIS  98 106.200  -7.031  -1.629
  745    HA   HIS  98           HA       HIS  98 108.528  -8.154  -0.189
  746    HB2  HIS  98           HB2      HIS  98 109.366  -9.017  -2.377
  747    HB3  HIS  98           HB1      HIS  98 107.887  -9.825  -1.851
  748    HD1  HIS  98           HD1      HIS  98 105.629  -9.077  -3.072
  749    HD2  HIS  98           HD2      HIS  98 109.111  -7.506  -4.750
  750    HE1  HIS  98           HE1      HIS  98 104.974  -8.122  -5.326
  751    H    HIS  99           HN       HIS  99 108.258  -5.540   0.087
  752    HA   HIS  99           HA       HIS  99 109.515  -4.136  -2.169
  753    HB2  HIS  99           HB2      HIS  99 109.100  -2.107  -0.906
  754    HB3  HIS  99           HB1      HIS  99 107.626  -3.074  -0.906
  755    HD1  HIS  99           HD1      HIS  99 110.284  -1.727   1.303
  756    HD2  HIS  99           HD2      HIS  99 107.100  -4.393   1.643
  757    HE1  HIS  99           HE1      HIS  99 109.923  -2.095   3.778
  758    H    HIS 100           HN       HIS 100 110.409  -5.850   0.576
  759    HA   HIS 100           HA       HIS 100 113.166  -4.832   0.437
  760    HB2  HIS 100           HB2      HIS 100 112.092  -3.574   2.265
  761    HB3  HIS 100           HB1      HIS 100 111.574  -5.088   3.001
  762    HD1  HIS 100           HD1      HIS 100 114.890  -3.667   1.739
  763    HD2  HIS 100           HD2      HIS 100 113.365  -5.891   4.916
  764    HE1  HIS 100           HE1      HIS 100 116.839  -4.137   3.286
  765    H    HIS 101           HN       HIS 101 114.700  -6.298   1.453
  766    HA   HIS 101           HA       HIS 101 113.800  -8.951   2.232
  767    HB2  HIS 101           HB2      HIS 101 115.162 -10.096   0.484
  768    HB3  HIS 101           HB1      HIS 101 113.811  -9.195  -0.205
  769    HD1  HIS 101           HD1      HIS 101 114.792  -6.399  -0.326
  770    HD2  HIS 101           HD2      HIS 101 117.305  -9.600  -1.240
  771    HE1  HIS 101           HE1      HIS 101 116.649  -5.462  -1.760
  772    H    HIS 102           HN       HIS 102 115.580 -10.283   3.011
  773    HA   HIS 102           HA       HIS 102 117.452 -10.588   4.296
  774    HB2  HIS 102           HB2      HIS 102 118.566 -10.182   2.133
  775    HB3  HIS 102           HB1      HIS 102 118.600  -8.450   2.492
  776    HD1  HIS 102           HD1      HIS 102 119.053  -9.699   5.666
  777    HD2  HIS 102           HD2      HIS 102 121.556  -9.680   2.334
  778    HE1  HIS 102           HE1      HIS 102 121.404 -10.034   6.540
  Start of MODEL    8
    1    H1   THR   1           HT1      THR   1  58.088   0.935  -3.114
    2    H2   THR   1           HT2      THR   1  58.923  -0.540  -3.233
    3    H3   THR   1           HT3      THR   1  57.925  -0.233  -1.898
    4    HA   THR   1           HA       THR   1  57.166  -0.874  -4.677
    5    HB   THR   1           HB       THR   1  55.623  -2.411  -3.478
    6    HG1  THR   1           HG1      THR   1  55.490  -1.041  -1.601
    7   HG21  THR   1          HG21      THR   1  58.544  -2.503  -2.708
    8   HG22  THR   1          HG22      THR   1  57.762  -3.323  -4.066
    9   HG23  THR   1          HG23      THR   1  57.424  -3.834  -2.411
   10    H    ALA   2           HN       ALA   2  56.725   1.519  -2.413
   11    HA   ALA   2           HA       ALA   2  54.186   2.352  -3.640
   12    HB1  ALA   2           HB1      ALA   2  54.623   1.969  -0.672
   13    HB2  ALA   2           HB2      ALA   2  53.383   1.229  -1.680
   14    HB3  ALA   2           HB3      ALA   2  53.323   2.957  -1.333
   15    H    LYS   3           HN       LYS   3  57.057   3.083  -1.758
   16    HA   LYS   3           HA       LYS   3  57.219   5.701  -2.917
   17    HB2  LYS   3           HB2      LYS   3  55.557   5.951  -0.982
   18    HB3  LYS   3           HB1      LYS   3  56.926   5.634   0.092
   19    HG2  LYS   3           HG2      LYS   3  58.155   7.521  -0.931
   20    HG3  LYS   3           HG1      LYS   3  56.786   7.834  -1.995
   21    HD2  LYS   3           HD2      LYS   3  55.357   8.204   0.006
   22    HD3  LYS   3           HD1      LYS   3  56.781   7.983   1.026
   23    HE2  LYS   3           HE2      LYS   3  56.382  10.377   0.620
   24    HE3  LYS   3           HE1      LYS   3  57.894   9.860  -0.128
   25    HZ1  LYS   3           HZ1      LYS   3  56.115  11.240  -1.453
   26    HZ2  LYS   3           HZ2      LYS   3  55.454   9.701  -1.726
   27    HZ3  LYS   3           HZ3      LYS   3  57.042  10.039  -2.209
   28    H    ASN   4           HN       ASN   4  59.336   6.127  -3.165
   29    HA   ASN   4           HA       ASN   4  61.227   5.305  -1.098
   30    HB2  ASN   4           HB2      ASN   4  62.731   4.365  -2.895
   31    HB3  ASN   4           HB1      ASN   4  61.317   3.390  -2.507
   32   HD21  ASN   4          HD21      ASN   4  59.318   3.900  -3.970
   33   HD22  ASN   4          HD22      ASN   4  59.640   4.191  -5.610
   34    H    THR   5           HN       THR   5  62.098   7.243  -0.620
   35    HA   THR   5           HA       THR   5  63.233   8.816  -2.862
   36    HB   THR   5           HB       THR   5  61.434   9.900  -0.673
   37    HG1  THR   5           HG1      THR   5  60.848  10.816  -3.037
   38   HG21  THR   5          HG21      THR   5  61.911  12.119  -1.724
   39   HG22  THR   5          HG22      THR   5  63.193  11.352  -2.663
   40   HG23  THR   5          HG23      THR   5  63.313  11.428  -0.909
   41    H    VAL   6           HN       VAL   6  65.340   8.877  -2.490
   42    HA   VAL   6           HA       VAL   6  66.521   8.377   0.033
   43    HB   VAL   6           HB       VAL   6  67.643   7.966  -2.150
   44   HG11  VAL   6          HG11      VAL   6  68.180  10.940  -2.146
   45   HG12  VAL   6          HG12      VAL   6  66.932  10.190  -3.133
   46   HG13  VAL   6          HG13      VAL   6  68.622   9.767  -3.385
   47   HG21  VAL   6          HG21      VAL   6  69.887   8.863  -1.403
   48   HG22  VAL   6          HG22      VAL   6  69.013   7.940  -0.182
   49   HG23  VAL   6          HG23      VAL   6  69.044   9.697  -0.102
   50    H    VAL   7           HN       VAL   7  67.091   9.660   1.653
   51    HA   VAL   7           HA       VAL   7  66.403  12.509   1.534
   52    HB   VAL   7           HB       VAL   7  67.278  10.789   3.875
   53   HG11  VAL   7          HG11      VAL   7  67.763  13.120   4.296
   54   HG12  VAL   7          HG12      VAL   7  66.290  12.708   5.183
   55   HG13  VAL   7          HG13      VAL   7  66.183  13.607   3.672
   56   HG21  VAL   7          HG21      VAL   7  64.890  10.852   4.506
   57   HG22  VAL   7          HG22      VAL   7  65.107  10.075   2.939
   58   HG23  VAL   7          HG23      VAL   7  64.521  11.736   3.027
   59    H    ARG   8           HN       ARG   8  69.088  10.310   2.127
   60    HA   ARG   8           HA       ARG   8  70.973  12.463   1.490
   61    HB2  ARG   8           HB2      ARG   8  71.455  12.609   3.728
   62    HB3  ARG   8           HB1      ARG   8  70.748  11.043   4.089
   63    HG2  ARG   8           HG2      ARG   8  72.733   9.891   3.330
   64    HG3  ARG   8           HG1      ARG   8  73.407  11.387   2.681
   65    HD2  ARG   8           HD2      ARG   8  72.761  10.975   5.616
   66    HD3  ARG   8           HD1      ARG   8  74.365  10.732   4.926
   67    HE   ARG   8           HE       ARG   8  73.480  13.285   4.165
   68   HH11  ARG   8          HH21      ARG   8  74.698  11.468   6.823
   69   HH12  ARG   8          HH22      ARG   8  75.096  12.858   7.778
   70   HH21  ARG   8          HH11      ARG   8  73.778  15.121   5.508
   71   HH22  ARG   8          HH12      ARG   8  74.550  14.927   7.046
   72    H    GLY   9           HN       GLY   9  72.558  11.835   0.212
   73    HA2  GLY   9           HA2      GLY   9  72.576   9.063  -0.738
   74    HA3  GLY   9           HA1      GLY   9  73.315  10.452  -1.543
   75    H    LEU  10           HN       LEU  10  75.169   8.833  -1.642
   76    HA   LEU  10           HA       LEU  10  76.604   8.290   0.800
   77    HB2  LEU  10           HB2      LEU  10  77.348   7.994  -2.107
   78    HB3  LEU  10           HB1      LEU  10  78.359   7.447  -0.773
   79    HG   LEU  10           HG       LEU  10  75.466   6.581  -0.906
   80   HD11  LEU  10          HD11      LEU  10  76.130   4.608  -2.208
   81   HD12  LEU  10          HD12      LEU  10  77.771   5.234  -2.351
   82   HD13  LEU  10          HD13      LEU  10  76.432   6.082  -3.118
   83   HD21  LEU  10          HD21      LEU  10  76.661   6.009   1.125
   84   HD22  LEU  10          HD22      LEU  10  78.029   5.380   0.198
   85   HD23  LEU  10          HD23      LEU  10  76.486   4.536   0.175
   86    H    GLU  11           HN       GLU  11  78.936   8.925   1.003
   87    HA   GLU  11           HA       GLU  11  79.550  11.589  -0.098
   88    HB2  GLU  11           HB2      GLU  11  80.087  12.491   2.072
   89    HB3  GLU  11           HB1      GLU  11  78.427  11.884   2.114
   90    HG2  GLU  11           HG2      GLU  11  79.242   9.789   3.171
   91    HG3  GLU  11           HG1      GLU  11  80.879  10.438   3.179
   92    H    ASN  12           HN       ASN  12  81.824  12.208   0.382
   93    HA   ASN  12           HA       ASN  12  83.601  10.191  -0.444
   94    HB2  ASN  12           HB2      ASN  12  85.380  11.838   0.234
   95    HB3  ASN  12           HB1      ASN  12  84.158  12.482  -0.861
   96   HD21  ASN  12          HD21      ASN  12  83.515  14.525  -0.235
   97   HD22  ASN  12          HD22      ASN  12  83.383  15.064   1.366
   98    H    VAL  13           HN       VAL  13  85.095   8.946   0.631
   99    HA   VAL  13           HA       VAL  13  85.061   8.964   3.597
  100    HB   VAL  13           HB       VAL  13  84.664   6.558   1.804
  101   HG11  VAL  13          HG11      VAL  13  84.682   5.317   4.075
  102   HG12  VAL  13          HG12      VAL  13  85.563   6.720   4.686
  103   HG13  VAL  13          HG13      VAL  13  86.241   5.757   3.380
  104   HG21  VAL  13          HG21      VAL  13  82.638   7.777   2.438
  105   HG22  VAL  13          HG22      VAL  13  83.112   7.725   4.139
  106   HG23  VAL  13          HG23      VAL  13  82.695   6.233   3.290
  107    H    GLU  14           HN       GLU  14  87.012   8.798   4.521
  108    HA   GLU  14           HA       GLU  14  89.332   8.026   2.832
  109    HB2  GLU  14           HB2      GLU  14  89.146  10.315   4.820
  110    HB3  GLU  14           HB1      GLU  14  90.634   9.769   4.054
  111    HG2  GLU  14           HG2      GLU  14  89.989  11.527   2.654
  112    HG3  GLU  14           HG1      GLU  14  89.332  10.133   1.812
  113    H    ALA  15           HN       ALA  15  90.685   6.549   3.707
  114    HA   ALA  15           HA       ALA  15  90.972   6.274   6.583
  115    HB1  ALA  15           HB1      ALA  15  88.961   4.976   6.289
  116    HB2  ALA  15           HB2      ALA  15  90.308   3.868   6.580
  117    HB3  ALA  15           HB3      ALA  15  89.682   4.090   4.945
  118    H    LEU  16           HN       LEU  16  92.845   5.207   7.175
  119    HA   LEU  16           HA       LEU  16  94.816   4.879   5.103
  120    HB2  LEU  16           HB2      LEU  16  94.860   4.653   8.102
  121    HB3  LEU  16           HB1      LEU  16  96.240   4.117   7.148
  122    HG   LEU  16           HG       LEU  16  95.074   6.833   6.574
  123   HD11  LEU  16          HD11      LEU  16  96.781   7.737   8.271
  124   HD12  LEU  16          HD12      LEU  16  96.792   6.113   8.961
  125   HD13  LEU  16          HD13      LEU  16  95.294   7.052   8.937
  126   HD21  LEU  16          HD21      LEU  16  97.139   7.251   5.609
  127   HD22  LEU  16          HD22      LEU  16  97.084   5.503   5.396
  128   HD23  LEU  16          HD23      LEU  16  98.008   6.201   6.722
  129    H    GLU  17           HN       GLU  17  96.202   2.998   4.954
  130    HA   GLU  17           HA       GLU  17  94.969   0.731   4.092
  131    HB2  GLU  17           HB2      GLU  17  97.384   1.243   3.884
  132    HB3  GLU  17           HB1      GLU  17  97.608   0.768   5.566
  133    HG2  GLU  17           HG2      GLU  17  96.783  -1.479   5.057
  134    HG3  GLU  17           HG1      GLU  17  96.477  -1.009   3.385
  135    H    GLY  18           HN       GLY  18  94.489  -1.345   4.974
  136    HA2  GLY  18           HA2      GLY  18  93.489  -2.708   6.538
  137    HA3  GLY  18           HA1      GLY  18  94.805  -2.199   7.591
  138    H    GLY  19           HN       GLY  19  92.681   0.216   6.311
  139    HA2  GLY  19           HA2      GLY  19  91.774   0.886   8.999
  140    HA3  GLY  19           HA1      GLY  19  91.534   1.834   7.539
  141    H    GLU  20           HN       GLU  20  89.400   1.912   8.828
  142    HA   GLU  20           HA       GLU  20  87.587  -0.210   7.815
  143    HB2  GLU  20           HB2      GLU  20  87.834  -0.210  10.300
  144    HB3  GLU  20           HB1      GLU  20  87.240   1.453  10.326
  145    HG2  GLU  20           HG2      GLU  20  85.150   0.731   9.251
  146    HG3  GLU  20           HG1      GLU  20  85.748  -0.927   9.191
  147    H    ALA  21           HN       ALA  21  85.658   0.485   6.877
  148    HA   ALA  21           HA       ALA  21  85.210   3.403   6.650
  149    HB1  ALA  21           HB1      ALA  21  85.456   1.426   4.379
  150    HB2  ALA  21           HB2      ALA  21  86.378   2.905   4.627
  151    HB3  ALA  21           HB3      ALA  21  84.669   2.991   4.197
  152    H    LEU  22           HN       LEU  22  83.124   3.995   6.674
  153    HA   LEU  22           HA       LEU  22  81.050   1.946   6.315
  154    HB2  LEU  22           HB2      LEU  22  80.002   3.414   8.416
  155    HB3  LEU  22           HB1      LEU  22  80.779   1.844   8.580
  156    HG   LEU  22           HG       LEU  22  82.981   3.040   8.909
  157   HD11  LEU  22          HD11      LEU  22  82.751   5.473   9.569
  158   HD12  LEU  22          HD12      LEU  22  81.099   5.429   8.951
  159   HD13  LEU  22          HD13      LEU  22  82.459   5.168   7.859
  160   HD21  LEU  22          HD21      LEU  22  82.509   3.568  11.231
  161   HD22  LEU  22          HD22      LEU  22  81.508   2.192  10.766
  162   HD23  LEU  22          HD23      LEU  22  80.798   3.803  10.877
  163    H    PHE  23           HN       PHE  23  79.333   2.604   5.240
  164    HA   PHE  23           HA       PHE  23  79.160   5.485   4.526
  165    HB2  PHE  23           HB2      PHE  23  78.433   2.986   2.995
  166    HB3  PHE  23           HB1      PHE  23  77.823   4.576   2.543
  167    HD1  PHE  23           HD2      PHE  23  79.363   6.360   1.820
  168    HD2  PHE  23           HD1      PHE  23  80.761   2.386   2.661
  169    HE1  PHE  23           HE2      PHE  23  81.478   6.851   0.630
  170    HE2  PHE  23           HE1      PHE  23  82.883   2.885   1.474
  171    HZ   PHE  23           HZ       PHE  23  83.241   5.126   0.461
  172    H    GLU  24           HN       GLU  24  77.687   6.386   5.825
  173    HA   GLU  24           HA       GLU  24  75.262   4.900   6.552
  174    HB2  GLU  24           HB2      GLU  24  76.460   7.506   7.484
  175    HB3  GLU  24           HB1      GLU  24  74.848   6.981   7.959
  176    HG2  GLU  24           HG2      GLU  24  76.354   6.255   9.681
  177    HG3  GLU  24           HG1      GLU  24  75.882   4.824   8.768
  178    H    CYS  25           HN       CYS  25  73.791   4.905   5.011
  179    HA   CYS  25           HA       CYS  25  73.060   7.425   3.625
  180    HB2  CYS  25           HB2      CYS  25  72.119   4.651   2.879
  181    HB3  CYS  25           HB1      CYS  25  72.178   6.098   1.877
  182    HG   CYS  25           HG       CYS  25  74.564   4.236   2.499
  183    H    GLN  26           HN       GLN  26  70.741   7.757   3.296
  184    HA   GLN  26           HA       GLN  26  69.035   6.621   5.451
  185    HB2  GLN  26           HB2      GLN  26  69.874   8.896   6.035
  186    HB3  GLN  26           HB1      GLN  26  69.136   9.504   4.557
  187    HG2  GLN  26           HG2      GLN  26  67.643   9.922   6.409
  188    HG3  GLN  26           HG1      GLN  26  66.928   8.699   5.362
  189   HE21  GLN  26          HE21      GLN  26  65.749   7.491   6.925
  190   HE22  GLN  26          HE22      GLN  26  66.483   6.705   8.243
  191    H    LEU  27           HN       LEU  27  67.339   5.657   4.580
  192    HA   LEU  27           HA       LEU  27  66.341   6.563   1.944
  193    HB2  LEU  27           HB2      LEU  27  66.731   3.889   3.189
  194    HB3  LEU  27           HB1      LEU  27  65.385   4.062   2.088
  195    HG   LEU  27           HG       LEU  27  68.196   4.906   1.358
  196   HD11  LEU  27          HD11      LEU  27  66.826   2.220   1.199
  197   HD12  LEU  27          HD12      LEU  27  68.459   2.596   1.737
  198   HD13  LEU  27          HD13      LEU  27  68.061   2.663   0.021
  199   HD21  LEU  27          HD21      LEU  27  66.736   5.891  -0.204
  200   HD22  LEU  27          HD22      LEU  27  65.565   4.569  -0.105
  201   HD23  LEU  27          HD23      LEU  27  67.076   4.348  -0.977
  202    H    SER  28           HN       SER  28  64.323   7.151   1.683
  203    HA   SER  28           HA       SER  28  62.445   7.002   3.939
  204    HB2  SER  28           HB2      SER  28  62.049   8.262   1.210
  205    HB3  SER  28           HB1      SER  28  61.038   8.483   2.630
  206    HG   SER  28           HG       SER  28  62.871   9.436   3.656
  207    H    GLN  29           HN       GLN  29  61.768   4.897   3.986
  208    HA   GLN  29           HA       GLN  29  59.792   3.903   2.415
  209    HB2  GLN  29           HB2      GLN  29  61.127   2.022   1.245
  210    HB3  GLN  29           HB1      GLN  29  61.083   3.611   0.485
  211    HG2  GLN  29           HG2      GLN  29  63.317   4.017   0.880
  212    HG3  GLN  29           HG1      GLN  29  63.306   3.171   2.426
  213   HE21  GLN  29          HE21      GLN  29  62.145   1.723  -0.608
  214   HE22  GLN  29          HE22      GLN  29  63.374   0.563  -0.719
  215    HA   PRO  30           HA       PRO  30  60.546   1.674   6.292
  216    HB2  PRO  30           HB2      PRO  30  58.044   0.230   6.052
  217    HB3  PRO  30           HB1      PRO  30  58.437   1.562   7.144
  218    HG2  PRO  30           HG2      PRO  30  56.732   1.639   4.877
  219    HG3  PRO  30           HG1      PRO  30  57.221   2.994   5.904
  220    HD2  PRO  30           HD2      PRO  30  58.095   2.368   3.186
  221    HD3  PRO  30           HD1      PRO  30  58.415   3.822   4.162
  222    H    GLU  31           HN       GLU  31  59.984   0.323   3.156
  223    HA   GLU  31           HA       GLU  31  61.514  -2.062   3.895
  224    HB2  GLU  31           HB2      GLU  31  59.189  -2.739   4.305
  225    HB3  GLU  31           HB1      GLU  31  58.755  -2.259   2.665
  226    HG2  GLU  31           HG2      GLU  31  60.295  -3.930   1.738
  227    HG3  GLU  31           HG1      GLU  31  60.818  -4.376   3.361
  228    H    VAL  32           HN       VAL  32  62.720  -2.885   2.236
  229    HA   VAL  32           HA       VAL  32  62.404  -1.601  -0.429
  230    HB   VAL  32           HB       VAL  32  64.484  -0.984   0.857
  231   HG11  VAL  32          HG11      VAL  32  66.095  -2.547   1.479
  232   HG12  VAL  32          HG12      VAL  32  65.572  -3.734   0.283
  233   HG13  VAL  32          HG13      VAL  32  64.629  -3.487   1.754
  234   HG21  VAL  32          HG21      VAL  32  65.999  -1.402  -1.060
  235   HG22  VAL  32          HG22      VAL  32  64.405  -0.880  -1.599
  236   HG23  VAL  32          HG23      VAL  32  64.861  -2.585  -1.700
  237    H    ALA  33           HN       ALA  33  61.471  -3.042  -1.775
  238    HA   ALA  33           HA       ALA  33  62.224  -5.898  -1.573
  239    HB1  ALA  33           HB1      ALA  33  59.816  -5.222  -1.320
  240    HB2  ALA  33           HB2      ALA  33  60.127  -6.392  -2.604
  241    HB3  ALA  33           HB3      ALA  33  59.853  -4.693  -3.003
  242    H    ALA  34           HN       ALA  34  63.135  -3.252  -3.249
  243    HA   ALA  34           HA       ALA  34  64.136  -4.865  -5.452
  244    HB1  ALA  34           HB1      ALA  34  62.388  -2.461  -5.994
  245    HB2  ALA  34           HB2      ALA  34  61.900  -4.143  -6.224
  246    HB3  ALA  34           HB3      ALA  34  63.209  -3.458  -7.196
  247    H    HIS  35           HN       HIS  35  66.206  -4.396  -5.012
  248    HA   HIS  35           HA       HIS  35  67.114  -1.719  -5.648
  249    HB2  HIS  35           HB2      HIS  35  68.453  -1.494  -3.571
  250    HB3  HIS  35           HB1      HIS  35  66.721  -1.454  -3.273
  251    HD1  HIS  35           HD1      HIS  35  65.762  -4.094  -2.751
  252    HD2  HIS  35           HD2      HIS  35  69.716  -3.167  -1.812
  253    HE1  HIS  35           HE1      HIS  35  66.489  -5.757  -0.982
  254    H    THR  36           HN       THR  36  69.365  -1.604  -6.073
  255    HA   THR  36           HA       THR  36  70.772  -4.207  -6.250
  256    HB   THR  36           HB       THR  36  70.731  -2.125  -8.452
  257    HG1  THR  36           HG1      THR  36  69.814  -4.452  -9.235
  258   HG21  THR  36          HG21      THR  36  72.846  -3.413  -8.227
  259   HG22  THR  36          HG22      THR  36  71.979  -3.842  -9.700
  260   HG23  THR  36          HG23      THR  36  71.922  -4.911  -8.299
  261    H    TRP  37           HN       TRP  37  72.712  -4.126  -5.332
  262    HA   TRP  37           HA       TRP  37  74.048  -1.489  -5.010
  263    HB2  TRP  37           HB2      TRP  37  73.146  -2.798  -2.912
  264    HB3  TRP  37           HB1      TRP  37  74.556  -3.819  -3.159
  265    HD1  TRP  37           HD1      TRP  37  76.741  -1.761  -3.919
  266    HE1  TRP  37           HE1      TRP  37  77.567  -0.002  -2.243
  267    HE3  TRP  37           HE3      TRP  37  72.781  -1.670  -0.684
  268    HZ2  TRP  37           HZ2      TRP  37  76.690   1.284   0.144
  269    HZ3  TRP  37           HZ3      TRP  37  72.814  -0.164   1.286
  270    HH2  TRP  37           HH2      TRP  37  74.763   1.310   1.704
  271    H    LEU  38           HN       LEU  38  75.738  -1.308  -6.241
  272    HA   LEU  38           HA       LEU  38  77.621  -3.570  -6.485
  273    HB2  LEU  38           HB2      LEU  38  76.475  -1.987  -8.790
  274    HB3  LEU  38           HB1      LEU  38  77.934  -2.967  -8.919
  275    HG   LEU  38           HG       LEU  38  75.188  -4.001  -8.116
  276   HD11  LEU  38          HD11      LEU  38  76.765  -4.039 -10.703
  277   HD12  LEU  38          HD12      LEU  38  75.127  -3.428 -10.441
  278   HD13  LEU  38          HD13      LEU  38  75.443  -5.166 -10.390
  279   HD21  LEU  38          HD21      LEU  38  76.676  -5.558  -7.161
  280   HD22  LEU  38          HD22      LEU  38  77.918  -5.274  -8.384
  281   HD23  LEU  38          HD23      LEU  38  76.486  -6.228  -8.780
  282    H    LEU  39           HN       LEU  39  79.411  -2.798  -5.578
  283    HA   LEU  39           HA       LEU  39  80.237  -0.002  -6.078
  284    HB2  LEU  39           HB2      LEU  39  82.213  -1.143  -4.456
  285    HB3  LEU  39           HB1      LEU  39  80.861  -0.199  -3.873
  286    HG   LEU  39           HG       LEU  39  79.549  -2.401  -3.791
  287   HD11  LEU  39          HD11      LEU  39  82.382  -3.451  -4.059
  288   HD12  LEU  39          HD12      LEU  39  81.026  -3.790  -5.138
  289   HD13  LEU  39          HD13      LEU  39  81.021  -4.412  -3.492
  290   HD21  LEU  39          HD21      LEU  39  80.391  -1.207  -1.806
  291   HD22  LEU  39          HD22      LEU  39  81.940  -2.035  -1.969
  292   HD23  LEU  39          HD23      LEU  39  80.483  -2.949  -1.592
  293    H    ASP  40           HN       ASP  40  82.685  -2.376  -5.554
  294    HA   ASP  40           HA       ASP  40  83.742  -2.025  -8.169
  295    HB2  ASP  40           HB2      ASP  40  85.131  -2.739  -6.193
  296    HB3  ASP  40           HB1      ASP  40  84.277  -4.284  -6.206
  297    H    ASP  41           HN       ASP  41  83.868  -4.035  -9.640
  298    HA   ASP  41           HA       ASP  41  81.248  -4.771 -10.293
  299    HB2  ASP  41           HB2      ASP  41  83.092  -4.630 -11.926
  300    HB3  ASP  41           HB1      ASP  41  83.797  -6.093 -11.227
  301    H    GLU  42           HN       GLU  42  81.869  -5.612  -7.532
  302    HA   GLU  42           HA       GLU  42  81.276  -8.503  -7.842
  303    HB2  GLU  42           HB2      GLU  42  82.931  -7.113  -5.742
  304    HB3  GLU  42           HB1      GLU  42  82.284  -8.734  -5.504
  305    HG2  GLU  42           HG2      GLU  42  83.496  -9.561  -7.434
  306    HG3  GLU  42           HG1      GLU  42  84.013  -7.933  -7.859
  307    HA   PRO  43           HA       PRO  43  77.441  -7.319  -5.785
  308    HB2  PRO  43           HB2      PRO  43  77.109  -9.928  -4.556
  309    HB3  PRO  43           HB1      PRO  43  76.251  -9.265  -5.956
  310    HG2  PRO  43           HG2      PRO  43  78.310 -11.266  -5.911
  311    HG3  PRO  43           HG1      PRO  43  77.398 -10.664  -7.294
  312    HD2  PRO  43           HD2      PRO  43  80.151 -10.174  -6.710
  313    HD3  PRO  43           HD1      PRO  43  79.187  -9.457  -8.017
  314    H    VAL  44           HN       VAL  44  76.984  -6.499  -3.721
  315    HA   VAL  44           HA       VAL  44  79.156  -6.713  -1.823
  316    HB   VAL  44           HB       VAL  44  76.585  -5.235  -1.303
  317   HG11  VAL  44          HG11      VAL  44  78.176  -3.690  -0.181
  318   HG12  VAL  44          HG12      VAL  44  79.509  -4.756  -0.651
  319   HG13  VAL  44          HG13      VAL  44  78.287  -5.332   0.467
  320   HG21  VAL  44          HG21      VAL  44  77.914  -3.292  -2.459
  321   HG22  VAL  44          HG22      VAL  44  76.988  -4.408  -3.457
  322   HG23  VAL  44          HG23      VAL  44  78.731  -4.599  -3.317
  323    H    ARG  45           HN       ARG  45  79.032  -8.833  -1.104
  324    HA   ARG  45           HA       ARG  45  77.207  -9.212   1.138
  325    HB2  ARG  45           HB2      ARG  45  77.479 -11.223  -1.124
  326    HB3  ARG  45           HB1      ARG  45  76.843 -11.626   0.467
  327    HG2  ARG  45           HG2      ARG  45  75.645  -9.395  -1.185
  328    HG3  ARG  45           HG1      ARG  45  75.138 -11.065  -1.396
  329    HD2  ARG  45           HD2      ARG  45  74.930  -9.411   1.140
  330    HD3  ARG  45           HD1      ARG  45  73.614 -10.024   0.155
  331    HE   ARG  45           HE       ARG  45  74.914 -12.295   0.835
  332   HH11  ARG  45          HH11      ARG  45  75.240  -9.873   3.081
  333   HH12  ARG  45          HH12      ARG  45  74.367 -10.657   4.352
  334   HH21  ARG  45          HH21      ARG  45  73.166 -13.203   2.312
  335   HH22  ARG  45          HH22      ARG  45  73.167 -12.537   3.913
  336    H    THR  46           HN       THR  46  79.087 -11.647  -0.427
  337    HA   THR  46           HA       THR  46  80.974 -12.809   0.127
  338    HB   THR  46           HB       THR  46  82.899 -11.547   0.382
  339    HG1  THR  46           HG1      THR  46  81.367  -9.825   2.026
  340   HG21  THR  46          HG21      THR  46  81.174 -10.559  -1.344
  341   HG22  THR  46          HG22      THR  46  82.664  -9.680  -0.979
  342   HG23  THR  46          HG23      THR  46  81.148  -9.194  -0.225
  343    H    SER  47           HN       SER  47  82.429 -11.584   2.764
  344    HA   SER  47           HA       SER  47  80.748 -13.093   4.700
  345    HB2  SER  47           HB2      SER  47  82.806 -14.351   3.904
  346    HB3  SER  47           HB1      SER  47  83.771 -13.098   4.668
  347    HG   SER  47           HG       SER  47  81.789 -14.679   5.969
  348    H    GLU  48           HN       GLU  48  82.768 -12.598   6.800
  349    HA   GLU  48           HA       GLU  48  81.711 -10.216   7.852
  350    HB2  GLU  48           HB2      GLU  48  83.537 -10.472   9.555
  351    HB3  GLU  48           HB1      GLU  48  82.544 -11.912   9.316
  352    HG2  GLU  48           HG2      GLU  48  84.243 -12.877   7.835
  353    HG3  GLU  48           HG1      GLU  48  85.233 -11.430   8.003
  354    H    ASN  49           HN       ASN  49  84.733 -10.812   6.117
  355    HA   ASN  49           HA       ASN  49  86.002  -8.332   6.574
  356    HB2  ASN  49           HB2      ASN  49  86.154 -10.098   4.120
  357    HB3  ASN  49           HB1      ASN  49  87.333  -8.876   4.590
  358   HD21  ASN  49          HD21      ASN  49  88.385  -9.301   6.860
  359   HD22  ASN  49          HD22      ASN  49  88.655 -10.926   7.285
  360    H    ALA  50           HN       ALA  50  83.114  -8.937   5.029
  361    HA   ALA  50           HA       ALA  50  82.693  -6.301   4.142
  362    HB1  ALA  50           HB1      ALA  50  83.513  -8.283   2.007
  363    HB2  ALA  50           HB2      ALA  50  84.215  -6.703   2.335
  364    HB3  ALA  50           HB3      ALA  50  82.595  -6.826   1.648
  365    H    GLU  51           HN       GLU  51  80.495  -6.041   4.087
  366    HA   GLU  51           HA       GLU  51  78.632  -7.749   2.924
  367    HB2  GLU  51           HB2      GLU  51  79.184  -9.406   4.678
  368    HB3  GLU  51           HB1      GLU  51  78.844  -8.207   5.920
  369    HG2  GLU  51           HG2      GLU  51  76.514  -8.086   5.243
  370    HG3  GLU  51           HG1      GLU  51  76.820  -9.115   3.851
  371    H    VAL  52           HN       VAL  52  76.477  -6.876   3.065
  372    HA   VAL  52           HA       VAL  52  76.396  -4.194   4.199
  373    HB   VAL  52           HB       VAL  52  74.197  -5.565   2.649
  374   HG11  VAL  52          HG11      VAL  52  75.115  -2.698   2.953
  375   HG12  VAL  52          HG12      VAL  52  73.631  -3.414   3.584
  376   HG13  VAL  52          HG13      VAL  52  73.849  -3.221   1.849
  377   HG21  VAL  52          HG21      VAL  52  76.308  -5.891   1.408
  378   HG22  VAL  52          HG22      VAL  52  76.591  -4.152   1.461
  379   HG23  VAL  52          HG23      VAL  52  75.215  -4.792   0.574
  380    H    VAL  53           HN       VAL  53  74.969  -3.568   5.735
  381    HA   VAL  53           HA       VAL  53  73.071  -5.500   6.894
  382    HB   VAL  53           HB       VAL  53  73.820  -4.772   9.204
  383   HG11  VAL  53          HG11      VAL  53  74.462  -6.975   8.126
  384   HG12  VAL  53          HG12      VAL  53  75.593  -6.402   9.353
  385   HG13  VAL  53          HG13      VAL  53  75.981  -6.217   7.644
  386   HG21  VAL  53          HG21      VAL  53  75.951  -3.712   9.484
  387   HG22  VAL  53          HG22      VAL  53  75.106  -2.775   8.252
  388   HG23  VAL  53          HG23      VAL  53  76.353  -3.923   7.782
  389    H    PHE  54           HN       PHE  54  71.280  -4.444   7.900
  390    HA   PHE  54           HA       PHE  54  71.288  -1.493   7.850
  391    HB2  PHE  54           HB2      PHE  54  69.067  -1.441   6.799
  392    HB3  PHE  54           HB1      PHE  54  70.278  -2.125   5.728
  393    HD1  PHE  54           HD2      PHE  54  70.343  -4.570   5.312
  394    HD2  PHE  54           HD1      PHE  54  67.220  -2.756   7.636
  395    HE1  PHE  54           HE2      PHE  54  68.959  -6.605   5.039
  396    HE2  PHE  54           HE1      PHE  54  65.830  -4.794   7.353
  397    HZ   PHE  54           HZ       PHE  54  66.699  -6.714   6.051
  398    H    PHE  55           HN       PHE  55  68.827  -0.870   8.689
  399    HA   PHE  55           HA       PHE  55  68.011  -2.563  10.898
  400    HB2  PHE  55           HB2      PHE  55  69.367   0.095  11.376
  401    HB3  PHE  55           HB1      PHE  55  68.446  -0.780  12.595
  402    HD1  PHE  55           HD2      PHE  55  69.095  -3.277  12.958
  403    HD2  PHE  55           HD1      PHE  55  71.667  -0.361  11.130
  404    HE1  PHE  55           HE2      PHE  55  71.062  -4.687  13.479
  405    HE2  PHE  55           HE1      PHE  55  73.639  -1.772  11.655
  406    HZ   PHE  55           HZ       PHE  55  73.336  -3.936  12.830
  407    H    GLU  56           HN       GLU  56  66.232  -1.514  12.170
  408    HA   GLU  56           HA       GLU  56  64.132  -0.600  12.195
  409    HB2  GLU  56           HB2      GLU  56  65.664   1.612  10.829
  410    HB3  GLU  56           HB1      GLU  56  64.004   1.780  11.403
  411    HG2  GLU  56           HG2      GLU  56  66.339   0.942  13.149
  412    HG3  GLU  56           HG1      GLU  56  65.742   2.594  13.039
  413    H    ASN  57           HN       ASN  57  64.715  -2.384  10.068
  414    HA   ASN  57           HA       ASN  57  63.652  -3.234   8.228
  415    HB2  ASN  57           HB2      ASN  57  61.665  -2.208   9.543
  416    HB3  ASN  57           HB1      ASN  57  61.707  -0.945   8.326
  417   HD21  ASN  57          HD21      ASN  57  62.800  -3.391   6.528
  418   HD22  ASN  57          HD22      ASN  57  61.341  -4.067   5.983
  419    H    GLY  58           HN       GLY  58  65.847  -1.428   7.748
  420    HA2  GLY  58           HA2      GLY  58  66.791  -0.794   5.696
  421    HA3  GLY  58           HA1      GLY  58  65.190  -0.743   4.982
  422    H    LEU  59           HN       LEU  59  64.886   1.008   7.775
  423    HA   LEU  59           HA       LEU  59  64.677   3.475   6.417
  424    HB2  LEU  59           HB2      LEU  59  63.687   2.768   8.723
  425    HB3  LEU  59           HB1      LEU  59  65.225   3.316   9.370
  426    HG   LEU  59           HG       LEU  59  64.857   5.521   8.203
  427   HD11  LEU  59          HD11      LEU  59  62.335   4.118   7.404
  428   HD12  LEU  59          HD12      LEU  59  63.274   5.337   6.541
  429   HD13  LEU  59          HD13      LEU  59  62.195   5.823   7.850
  430   HD21  LEU  59          HD21      LEU  59  62.812   4.632  10.265
  431   HD22  LEU  59          HD22      LEU  59  63.178   6.313   9.881
  432   HD23  LEU  59          HD23      LEU  59  64.420   5.280  10.595
  433    H    ARG  60           HN       ARG  60  67.395   1.796   7.685
  434    HA   ARG  60           HA       ARG  60  69.168   4.012   6.894
  435    HB2  ARG  60           HB2      ARG  60  69.375   2.544   9.543
  436    HB3  ARG  60           HB1      ARG  60  70.631   3.584   8.876
  437    HG2  ARG  60           HG2      ARG  60  69.091   5.496   8.888
  438    HG3  ARG  60           HG1      ARG  60  67.797   4.464   9.500
  439    HD2  ARG  60           HD2      ARG  60  68.798   5.688  11.360
  440    HD3  ARG  60           HD1      ARG  60  69.182   3.974  11.513
  441    HE   ARG  60           HE       ARG  60  71.238   5.289  10.072
  442   HH11  ARG  60          HH21      ARG  60  69.812   5.556  13.208
  443   HH12  ARG  60          HH22      ARG  60  71.330   5.641  14.037
  444   HH21  ARG  60          HH11      ARG  60  73.233   5.237  11.181
  445   HH22  ARG  60          HH12      ARG  60  73.258   5.479  12.892
  446    H    HIS  61           HN       HIS  61  71.243   3.313   6.182
  447    HA   HIS  61           HA       HIS  61  71.620   0.387   5.924
  448    HB2  HIS  61           HB2      HIS  61  71.567   2.416   3.689
  449    HB3  HIS  61           HB1      HIS  61  72.519   0.933   3.544
  450    HD1  HIS  61           HD1      HIS  61  68.979   2.168   3.784
  451    HD2  HIS  61           HD2      HIS  61  70.999  -1.435   3.231
  452    HE1  HIS  61           HE1      HIS  61  67.223   0.451   3.167
  453    H    LEU  62           HN       LEU  62  73.465  -0.136   6.734
  454    HA   LEU  62           HA       LEU  62  75.761   1.734   6.576
  455    HB2  LEU  62           HB2      LEU  62  75.210  -0.347   8.722
  456    HB3  LEU  62           HB1      LEU  62  76.571   0.762   8.663
  457    HG   LEU  62           HG       LEU  62  74.892   2.666   8.699
  458   HD11  LEU  62          HD11      LEU  62  72.711   1.515  10.004
  459   HD12  LEU  62          HD12      LEU  62  73.024   0.381   8.698
  460   HD13  LEU  62          HD13      LEU  62  72.733   2.078   8.343
  461   HD21  LEU  62          HD21      LEU  62  76.080   2.239  10.712
  462   HD22  LEU  62          HD22      LEU  62  75.219   0.723  10.995
  463   HD23  LEU  62          HD23      LEU  62  74.383   2.265  11.200
  464    H    LEU  63           HN       LEU  63  77.266   1.003   5.233
  465    HA   LEU  63           HA       LEU  63  77.519  -1.931   4.793
  466    HB2  LEU  63           HB2      LEU  63  76.977  -0.931   2.727
  467    HB3  LEU  63           HB1      LEU  63  78.015   0.459   3.011
  468    HG   LEU  63           HG       LEU  63  80.013  -0.887   2.713
  469   HD11  LEU  63          HD11      LEU  63  78.067  -3.164   2.899
  470   HD12  LEU  63          HD12      LEU  63  79.677  -3.011   3.588
  471   HD13  LEU  63          HD13      LEU  63  79.488  -3.375   1.872
  472   HD21  LEU  63          HD21      LEU  63  79.152  -0.067   0.642
  473   HD22  LEU  63          HD22      LEU  63  77.869  -1.281   0.606
  474   HD23  LEU  63          HD23      LEU  63  79.547  -1.759   0.342
  475    H    LEU  64           HN       LEU  64  79.210  -2.831   5.834
  476    HA   LEU  64           HA       LEU  64  81.549  -1.125   6.486
  477    HB2  LEU  64           HB2      LEU  64  80.319  -3.562   7.761
  478    HB3  LEU  64           HB1      LEU  64  82.003  -3.160   8.070
  479    HG   LEU  64           HG       LEU  64  81.315  -0.899   8.826
  480   HD11  LEU  64          HD11      LEU  64  79.338  -0.348   7.745
  481   HD12  LEU  64          HD12      LEU  64  78.719  -0.791   9.335
  482   HD13  LEU  64          HD13      LEU  64  78.616  -1.940   7.995
  483   HD21  LEU  64          HD21      LEU  64  79.692  -3.011  10.277
  484   HD22  LEU  64          HD22      LEU  64  80.480  -1.593  10.963
  485   HD23  LEU  64          HD23      LEU  64  81.451  -2.935  10.370
  486    H    LEU  65           HN       LEU  65  83.418  -1.462   5.542
  487    HA   LEU  65           HA       LEU  65  84.051  -4.084   4.295
  488    HB2  LEU  65           HB2      LEU  65  84.730  -1.336   3.174
  489    HB3  LEU  65           HB1      LEU  65  85.147  -2.890   2.448
  490    HG   LEU  65           HG       LEU  65  82.315  -1.908   2.936
  491   HD11  LEU  65          HD11      LEU  65  83.620  -0.623   1.193
  492   HD12  LEU  65          HD12      LEU  65  82.200  -1.456   0.565
  493   HD13  LEU  65          HD13      LEU  65  83.807  -2.134   0.301
  494   HD21  LEU  65          HD21      LEU  65  81.922  -3.833   1.191
  495   HD22  LEU  65          HD22      LEU  65  82.165  -4.254   2.886
  496   HD23  LEU  65          HD23      LEU  65  83.495  -4.418   1.740
  497    H    LYS  66           HN       LYS  66  85.828  -4.895   5.451
  498    HA   LYS  66           HA       LYS  66  87.526  -2.991   6.875
  499    HB2  LYS  66           HB2      LYS  66  87.159  -5.996   6.996
  500    HB3  LYS  66           HB1      LYS  66  88.315  -5.101   7.989
  501    HG2  LYS  66           HG2      LYS  66  86.557  -3.811   9.015
  502    HG3  LYS  66           HG1      LYS  66  85.361  -4.472   7.898
  503    HD2  LYS  66           HD2      LYS  66  85.206  -5.585  10.082
  504    HD3  LYS  66           HD1      LYS  66  85.716  -6.727   8.839
  505    HE2  LYS  66           HE2      LYS  66  87.942  -6.750   9.611
  506    HE3  LYS  66           HE1      LYS  66  87.748  -5.257  10.519
  507    HZ1  LYS  66           HZ1      LYS  66  86.842  -6.330  12.251
  508    HZ2  LYS  66           HZ2      LYS  66  87.577  -7.710  11.586
  509    HZ3  LYS  66           HZ3      LYS  66  85.939  -7.383  11.276
  510    H    ASN  67           HN       ASN  67  89.765  -4.492   7.182
  511    HA   ASN  67           HA       ASN  67  91.887  -4.454   6.182
  512    HB2  ASN  67           HB2      ASN  67  90.303  -6.466   4.575
  513    HB3  ASN  67           HB1      ASN  67  92.057  -6.351   4.568
  514   HD21  ASN  67          HD21      ASN  67  89.417  -7.816   6.181
  515   HD22  ASN  67          HD22      ASN  67  90.261  -8.345   7.558
  516    H    LEU  68           HN       LEU  68  90.554  -2.230   5.273
  517    HA   LEU  68           HA       LEU  68  90.297  -2.028   2.470
  518    HB2  LEU  68           HB2      LEU  68  90.995   0.129   4.471
  519    HB3  LEU  68           HB1      LEU  68  90.355   0.391   2.854
  520    HG   LEU  68           HG       LEU  68  88.943  -1.081   5.090
  521   HD11  LEU  68          HD11      LEU  68  88.181   1.561   3.827
  522   HD12  LEU  68          HD12      LEU  68  89.223   1.469   5.248
  523   HD13  LEU  68          HD13      LEU  68  87.570   0.849   5.320
  524   HD21  LEU  68          HD21      LEU  68  88.087  -2.044   3.124
  525   HD22  LEU  68          HD22      LEU  68  88.273  -0.561   2.191
  526   HD23  LEU  68          HD23      LEU  68  86.979  -0.705   3.376
  527    H    ARG  69           HN       ARG  69  91.976  -2.588   1.156
  528    HA   ARG  69           HA       ARG  69  94.666  -1.517   1.784
  529    HB2  ARG  69           HB2      ARG  69  94.372  -3.348  -0.541
  530    HB3  ARG  69           HB1      ARG  69  95.566  -3.362   0.756
  531    HG2  ARG  69           HG2      ARG  69  93.813  -4.296   2.284
  532    HG3  ARG  69           HG1      ARG  69  92.721  -4.405   0.904
  533    HD2  ARG  69           HD2      ARG  69  94.514  -5.797  -0.250
  534    HD3  ARG  69           HD1      ARG  69  95.351  -5.860   1.300
  535    HE   ARG  69           HE       ARG  69  92.871  -6.707   1.962
  536   HH11  ARG  69          HH21      ARG  69  95.424  -7.780  -0.073
  537   HH12  ARG  69          HH22      ARG  69  94.710  -9.320  -0.404
  538   HH21  ARG  69          HH11      ARG  69  91.754  -8.614   1.265
  539   HH22  ARG  69          HH12      ARG  69  92.619  -9.786   0.333
  540    HA   PRO  70           HA       PRO  70  94.523   1.306  -1.575
  541    HB2  PRO  70           HB2      PRO  70  96.597   0.262  -3.332
  542    HB3  PRO  70           HB1      PRO  70  96.689   1.646  -2.237
  543    HG2  PRO  70           HG2      PRO  70  98.013  -0.784  -1.896
  544    HG3  PRO  70           HG1      PRO  70  97.752   0.437  -0.647
  545    HD2  PRO  70           HD2      PRO  70  96.371  -2.163  -1.040
  546    HD3  PRO  70           HD1      PRO  70  96.564  -1.209   0.444
  547    H    GLN  71           HN       GLN  71  94.753  -2.005  -2.673
  548    HA   GLN  71           HA       GLN  71  93.715  -1.707  -5.255
  549    HB2  GLN  71           HB2      GLN  71  94.691  -3.824  -4.446
  550    HB3  GLN  71           HB1      GLN  71  93.293  -4.050  -3.397
  551    HG2  GLN  71           HG2      GLN  71  91.794  -4.153  -5.338
  552    HG3  GLN  71           HG1      GLN  71  93.145  -3.787  -6.422
  553   HE21  GLN  71          HE21      GLN  71  91.666  -6.226  -6.763
  554   HE22  GLN  71          HE22      GLN  71  92.679  -7.515  -6.352
  555    H    ASP  72           HN       ASP  72  91.886  -2.667  -2.281
  556    HA   ASP  72           HA       ASP  72  89.404  -2.752  -3.373
  557    HB2  ASP  72           HB2      ASP  72  90.369  -1.941  -0.641
  558    HB3  ASP  72           HB1      ASP  72  88.647  -1.875  -1.019
  559    H    SER  73           HN       SER  73  91.103   0.319  -2.425
  560    HA   SER  73           HA       SER  73  88.996   2.039  -2.496
  561    HB2  SER  73           HB2      SER  73  90.552   3.732  -2.880
  562    HB3  SER  73           HB1      SER  73  91.581   2.440  -2.263
  563    HG   SER  73           HG       SER  73  91.708   1.855  -4.625
  564    H    CYS  74           HN       CYS  74  87.434   2.423  -3.919
  565    HA   CYS  74           HA       CYS  74  87.985   2.637  -6.752
  566    HB2  CYS  74           HB2      CYS  74  87.724   0.140  -6.246
  567    HB3  CYS  74           HB1      CYS  74  86.030   0.500  -5.923
  568    HG   CYS  74           HG       CYS  74  87.124   1.437  -8.665
  569    H    ARG  75           HN       ARG  75  85.031   1.802  -7.130
  570    HA   ARG  75           HA       ARG  75  83.892   4.407  -6.323
  571    HB2  ARG  75           HB2      ARG  75  84.082   4.071  -8.739
  572    HB3  ARG  75           HB1      ARG  75  83.144   2.580  -8.615
  573    HG2  ARG  75           HG2      ARG  75  81.218   3.860  -7.738
  574    HG3  ARG  75           HG1      ARG  75  82.155   5.345  -7.843
  575    HD2  ARG  75           HD2      ARG  75  82.417   4.908 -10.299
  576    HD3  ARG  75           HD1      ARG  75  81.322   3.550 -10.122
  577    HE   ARG  75           HE       ARG  75  80.084   5.843  -9.056
  578   HH11  ARG  75          HH21      ARG  75  81.493   4.968 -12.064
  579   HH12  ARG  75          HH22      ARG  75  80.192   5.583 -13.026
  580   HH21  ARG  75          HH11      ARG  75  78.262   6.499 -10.292
  581   HH22  ARG  75          HH12      ARG  75  78.337   6.411 -12.020
  582    H    VAL  76           HN       VAL  76  82.090   4.533  -5.197
  583    HA   VAL  76           HA       VAL  76  80.727   2.034  -4.390
  584    HB   VAL  76           HB       VAL  76  80.585   4.739  -3.047
  585   HG11  VAL  76          HG11      VAL  76  79.967   1.949  -2.042
  586   HG12  VAL  76          HG12      VAL  76  78.756   3.106  -2.610
  587   HG13  VAL  76          HG13      VAL  76  79.712   3.463  -1.168
  588   HG21  VAL  76          HG21      VAL  76  82.423   2.388  -2.462
  589   HG22  VAL  76          HG22      VAL  76  82.182   3.756  -1.379
  590   HG23  VAL  76          HG23      VAL  76  82.914   4.005  -2.965
  591    H    THR  77           HN       THR  77  78.993   1.703  -5.715
  592    HA   THR  77           HA       THR  77  77.228   4.020  -6.292
  593    HB   THR  77           HB       THR  77  77.915   1.705  -8.123
  594    HG1  THR  77           HG1      THR  77  79.205   3.080  -9.038
  595   HG21  THR  77          HG21      THR  77  75.686   2.171  -8.664
  596   HG22  THR  77          HG22      THR  77  76.568   3.266  -9.735
  597   HG23  THR  77          HG23      THR  77  75.838   3.880  -8.252
  598    H    PHE  78           HN       PHE  78  75.205   3.816  -5.679
  599    HA   PHE  78           HA       PHE  78  74.022   1.139  -5.256
  600    HB2  PHE  78           HB2      PHE  78  74.692   1.944  -3.055
  601    HB3  PHE  78           HB1      PHE  78  73.908   3.494  -3.352
  602    HD1  PHE  78           HD2      PHE  78  73.121  -0.174  -3.404
  603    HD2  PHE  78           HD1      PHE  78  71.724   3.792  -2.569
  604    HE1  PHE  78           HE2      PHE  78  70.997  -1.114  -2.551
  605    HE2  PHE  78           HE1      PHE  78  69.601   2.856  -1.707
  606    HZ   PHE  78           HZ       PHE  78  69.244   0.401  -1.688
  607    H    LEU  79           HN       LEU  79  72.192   0.981  -6.452
  608    HA   LEU  79           HA       LEU  79  70.682   3.472  -7.003
  609    HB2  LEU  79           HB2      LEU  79  71.592   2.920  -9.070
  610    HB3  LEU  79           HB1      LEU  79  71.480   1.205  -8.786
  611    HG   LEU  79           HG       LEU  79  69.869   2.385 -10.509
  612   HD11  LEU  79          HD11      LEU  79  68.081   0.647  -9.010
  613   HD12  LEU  79          HD12      LEU  79  69.693  -0.052  -9.140
  614   HD13  LEU  79          HD13      LEU  79  68.823   0.429 -10.589
  615   HD21  LEU  79          HD21      LEU  79  67.856   2.616  -8.338
  616   HD22  LEU  79          HD22      LEU  79  68.066   3.550  -9.810
  617   HD23  LEU  79          HD23      LEU  79  69.057   3.903  -8.418
  618    H    ALA  80           HN       ALA  80  69.095   3.383  -5.563
  619    HA   ALA  80           HA       ALA  80  67.374   0.978  -5.434
  620    HB1  ALA  80           HB1      ALA  80  67.888   3.273  -3.542
  621    HB2  ALA  80           HB2      ALA  80  68.025   1.544  -3.243
  622    HB3  ALA  80           HB3      ALA  80  66.435   2.280  -3.401
  623    H    GLY  81           HN       GLY  81  66.128   1.331  -7.272
  624    HA2  GLY  81           HA2      GLY  81  64.430   2.230  -8.557
  625    HA3  GLY  81           HA1      GLY  81  63.895   3.033  -7.087
  626    H    ASP  82           HN       ASP  82  63.318   4.843  -8.509
  627    HA   ASP  82           HA       ASP  82  64.994   6.248 -10.177
  628    HB2  ASP  82           HB2      ASP  82  62.531   6.628  -9.747
  629    HB3  ASP  82           HB1      ASP  82  63.008   7.552  -8.323
  630    H    MET  83           HN       MET  83  66.023   5.607  -7.186
  631    HA   MET  83           HA       MET  83  67.239   8.286  -6.746
  632    HB2  MET  83           HB2      MET  83  66.871   6.086  -4.712
  633    HB3  MET  83           HB1      MET  83  67.361   7.750  -4.424
  634    HG2  MET  83           HG2      MET  83  65.169   8.312  -4.145
  635    HG3  MET  83           HG1      MET  83  64.863   7.877  -5.818
  636    HE1  MET  83           HE1      MET  83  64.283   6.410  -1.940
  637    HE2  MET  83           HE2      MET  83  65.915   6.423  -2.601
  638    HE3  MET  83           HE3      MET  83  65.064   4.894  -2.406
  639    H    VAL  84           HN       VAL  84  69.341   8.381  -7.247
  640    HA   VAL  84           HA       VAL  84  71.007   5.943  -6.884
  641    HB   VAL  84           HB       VAL  84  72.353   6.648  -8.778
  642   HG11  VAL  84          HG11      VAL  84  70.430   6.577 -10.566
  643   HG12  VAL  84          HG12      VAL  84  69.382   6.333  -9.171
  644   HG13  VAL  84          HG13      VAL  84  70.681   5.186  -9.508
  645   HG21  VAL  84          HG21      VAL  84  72.236   9.018  -8.757
  646   HG22  VAL  84          HG22      VAL  84  70.470   9.019  -8.787
  647   HG23  VAL  84          HG23      VAL  84  71.377   8.554 -10.224
  648    H    THR  85           HN       THR  85  72.674   6.165  -5.571
  649    HA   THR  85           HA       THR  85  73.740   8.864  -4.964
  650    HB   THR  85           HB       THR  85  73.670   8.477  -2.668
  651    HG1  THR  85           HG1      THR  85  73.363   5.819  -2.497
  652   HG21  THR  85          HG21      THR  85  71.558   6.491  -3.562
  653   HG22  THR  85          HG22      THR  85  71.329   8.239  -3.553
  654   HG23  THR  85          HG23      THR  85  71.601   7.373  -2.038
  655    H    SER  86           HN       SER  86  75.926   8.992  -5.239
  656    HA   SER  86           HA       SER  86  77.556   6.551  -5.093
  657    HB2  SER  86           HB2      SER  86  78.655   7.194  -7.284
  658    HB3  SER  86           HB1      SER  86  77.018   6.545  -7.421
  659    HG   SER  86           HG       SER  86  77.040   9.227  -7.007
  660    H    ALA  87           HN       ALA  87  79.596   6.913  -4.395
  661    HA   ALA  87           HA       ALA  87  80.667   9.650  -4.359
  662    HB1  ALA  87           HB1      ALA  87  80.457   7.965  -1.853
  663    HB2  ALA  87           HB2      ALA  87  79.362   9.297  -2.241
  664    HB3  ALA  87           HB3      ALA  87  81.075   9.614  -1.982
  665    H    PHE  88           HN       PHE  88  82.912   9.735  -3.852
  666    HA   PHE  88           HA       PHE  88  84.397   7.555  -4.980
  667    HB2  PHE  88           HB2      PHE  88  85.228  10.176  -3.738
  668    HB3  PHE  88           HB1      PHE  88  86.336   9.057  -4.535
  669    HD1  PHE  88           HD1      PHE  88  85.929   8.439  -6.961
  670    HD2  PHE  88           HD2      PHE  88  83.857  11.643  -4.988
  671    HE1  PHE  88           HE1      PHE  88  85.299   9.390  -9.160
  672    HE2  PHE  88           HE2      PHE  88  83.230  12.593  -7.186
  673    HZ   PHE  88           HZ       PHE  88  83.951  11.464  -9.273
  674    H    LEU  89           HN       LEU  89  86.256   6.635  -4.037
  675    HA   LEU  89           HA       LEU  89  86.259   6.388  -1.097
  676    HB2  LEU  89           HB2      LEU  89  85.155   4.403  -2.065
  677    HB3  LEU  89           HB1      LEU  89  86.535   4.150  -3.130
  678    HG   LEU  89           HG       LEU  89  87.992   3.783  -1.196
  679   HD11  LEU  89          HD11      LEU  89  86.636   3.477   1.058
  680   HD12  LEU  89          HD12      LEU  89  85.515   4.610   0.302
  681   HD13  LEU  89          HD13      LEU  89  87.193   5.077   0.576
  682   HD21  LEU  89          HD21      LEU  89  85.485   2.138  -0.818
  683   HD22  LEU  89          HD22      LEU  89  87.159   1.625  -0.614
  684   HD23  LEU  89          HD23      LEU  89  86.528   1.943  -2.227
  685    H    THR  90           HN       THR  90  88.305   6.365  -0.211
  686    HA   THR  90           HA       THR  90  90.632   6.187  -2.015
  687    HB   THR  90           HB       THR  90  91.608   8.214  -0.968
  688    HG1  THR  90           HG1      THR  90  89.526   9.426  -0.055
  689   HG21  THR  90          HG21      THR  90  90.281   9.827  -2.203
  690   HG22  THR  90          HG22      THR  90  88.880   8.749  -2.183
  691   HG23  THR  90          HG23      THR  90  90.312   8.321  -3.121
  692    H    VAL  91           HN       VAL  91  92.181   4.960  -1.157
  693    HA   VAL  91           HA       VAL  91  92.411   4.785   1.786
  694    HB   VAL  91           HB       VAL  91  92.470   2.382  -0.063
  695   HG11  VAL  91          HG11      VAL  91  92.450   1.137   2.095
  696   HG12  VAL  91          HG12      VAL  91  92.580   2.675   2.955
  697   HG13  VAL  91          HG13      VAL  91  93.894   2.135   1.914
  698   HG21  VAL  91          HG21      VAL  91  90.341   1.760   0.986
  699   HG22  VAL  91          HG22      VAL  91  90.182   3.326   0.188
  700   HG23  VAL  91          HG23      VAL  91  90.359   3.242   1.943
  701    H    ARG  92           HN       ARG  92  94.448   5.262   2.354
  702    HA   ARG  92           HA       ARG  92  96.570   5.150   0.345
  703    HB2  ARG  92           HB2      ARG  92  96.253   7.167   1.811
  704    HB3  ARG  92           HB1      ARG  92  96.701   6.163   3.188
  705    HG2  ARG  92           HG2      ARG  92  98.869   5.639   2.040
  706    HG3  ARG  92           HG1      ARG  92  98.418   6.762   0.759
  707    HD2  ARG  92           HD2      ARG  92  98.657   7.512   3.685
  708    HD3  ARG  92           HD1      ARG  92  99.921   7.771   2.490
  709    HE   ARG  92           HE       ARG  92  97.454   9.283   2.757
  710   HH11  ARG  92          HH21      ARG  92 100.455  10.027   1.995
  711   HH12  ARG  92          HH22      ARG  92 100.180  10.695   0.421
  712   HH21  ARG  92          HH11      ARG  92  96.948   9.474   0.165
  713   HH22  ARG  92          HH12      ARG  92  98.195  10.399  -0.604
  714    H    GLY  93           HN       GLY  93  98.068   3.610   0.255
  715    HA2  GLY  93           HA2      GLY  93  98.987   2.221   2.601
  716    HA3  GLY  93           HA1      GLY  93  98.035   1.194   1.537
  717    H    GLY  94           HN       GLY  94  99.729   3.692  -0.047
  718    HA2  GLY  94           HA2      GLY  94 101.445   1.784  -1.383
  719    HA3  GLY  94           HA1      GLY  94 101.329   3.507  -1.728
  720    H    LEU  95           HN       LEU  95 102.234   1.605   1.169
  721    HA   LEU  95           HA       LEU  95 104.670   3.273   1.442
  722    HB2  LEU  95           HB2      LEU  95 103.155   3.335   3.385
  723    HB3  LEU  95           HB1      LEU  95 103.165   1.576   3.468
  724    HG   LEU  95           HG       LEU  95 105.577   1.591   3.959
  725   HD11  LEU  95          HD11      LEU  95 106.533   3.948   4.547
  726   HD12  LEU  95          HD12      LEU  95 105.246   4.557   3.517
  727   HD13  LEU  95          HD13      LEU  95 106.472   3.475   2.854
  728   HD21  LEU  95          HD21      LEU  95 105.460   2.680   6.184
  729   HD22  LEU  95          HD22      LEU  95 104.004   1.751   5.842
  730   HD23  LEU  95          HD23      LEU  95 103.982   3.506   5.691
  731    H    GLU  96           HN       GLU  96 103.364  -0.003   1.411
  732    HA   GLU  96           HA       GLU  96 106.036  -1.205   1.473
  733    HB2  GLU  96           HB2      GLU  96 104.877  -3.318   1.634
  734    HB3  GLU  96           HB1      GLU  96 104.143  -2.194   2.778
  735    HG2  GLU  96           HG2      GLU  96 102.407  -1.673   1.006
  736    HG3  GLU  96           HG1      GLU  96 103.076  -3.002   0.057
  737    H    HIS  97           HN       HIS  97 106.910  -2.360  -0.243
  738    HA   HIS  97           HA       HIS  97 105.883  -1.594  -2.873
  739    HB2  HIS  97           HB2      HIS  97 108.419  -1.709  -1.959
  740    HB3  HIS  97           HB1      HIS  97 108.304  -3.348  -2.589
  741    HD1  HIS  97           HD1      HIS  97 108.467  -3.612  -5.125
  742    HD2  HIS  97           HD2      HIS  97 107.886   0.348  -3.960
  743    HE1  HIS  97           HE1      HIS  97 108.758  -2.193  -7.211
  744    H    HIS  98           HN       HIS  98 104.149  -2.864  -3.443
  745    HA   HIS  98           HA       HIS  98 104.384  -5.794  -3.077
  746    HB2  HIS  98           HB2      HIS  98 101.992  -5.883  -3.443
  747    HB3  HIS  98           HB1      HIS  98 102.342  -4.671  -2.214
  748    HD1  HIS  98           HD1      HIS  98 100.568  -5.109  -5.341
  749    HD2  HIS  98           HD2      HIS  98 102.442  -1.921  -3.421
  750    HE1  HIS  98           HE1      HIS  98  99.628  -2.997  -6.378
  751    H    HIS  99           HN       HIS  99 106.072  -4.913  -4.967
  752    HA   HIS  99           HA       HIS  99 104.759  -5.540  -7.561
  753    HB2  HIS  99           HB2      HIS  99 107.232  -3.929  -6.962
  754    HB3  HIS  99           HB1      HIS  99 106.667  -4.319  -8.580
  755    HD1  HIS  99           HD1      HIS  99 104.269  -3.331  -9.246
  756    HD2  HIS  99           HD2      HIS  99 105.911  -1.810  -5.734
  757    HE1  HIS  99           HE1      HIS  99 102.987  -1.211  -8.719
  758    H    HIS 100           HN       HIS 100 106.177  -7.219  -5.316
  759    HA   HIS 100           HA       HIS 100 108.483  -8.324  -6.638
  760    HB2  HIS 100           HB2      HIS 100 106.825  -9.186  -4.260
  761    HB3  HIS 100           HB1      HIS 100 108.228 -10.091  -4.830
  762    HD1  HIS 100           HD1      HIS 100 110.342  -9.437  -3.694
  763    HD2  HIS 100           HD2      HIS 100 107.664  -6.245  -3.853
  764    HE1  HIS 100           HE1      HIS 100 111.454  -7.509  -2.487
  765    H    HIS 101           HN       HIS 101 105.122  -9.406  -6.093
  766    HA   HIS 101           HA       HIS 101 105.350 -11.185  -8.444
  767    HB2  HIS 101           HB2      HIS 101 104.284 -11.983  -5.722
  768    HB3  HIS 101           HB1      HIS 101 104.093 -12.942  -7.187
  769    HD1  HIS 101           HD1      HIS 101 106.799 -11.602  -4.882
  770    HD2  HIS 101           HD2      HIS 101 106.358 -14.441  -7.905
  771    HE1  HIS 101           HE1      HIS 101 108.998 -12.854  -5.018
  772    H    HIS 102           HN       HIS 102 103.301 -11.767  -9.386
  773    HA   HIS 102           HA       HIS 102 101.515  -9.603  -9.622
  774    HB2  HIS 102           HB2      HIS 102 101.193 -12.519 -10.370
  775    HB3  HIS 102           HB1      HIS 102 100.042 -11.262 -10.811
  776    HD1  HIS 102           HD1      HIS 102 101.170  -9.183 -12.218
  777    HD2  HIS 102           HD2      HIS 102 103.269 -12.782 -12.168
  778    HE1  HIS 102           HE1      HIS 102 102.813  -9.079 -14.141
  Start of MODEL    9
    1    H1   THR   1           HT1      THR   1  54.459  -1.501  -0.643
    2    H2   THR   1           HT2      THR   1  54.825  -0.619   0.762
    3    H3   THR   1           HT3      THR   1  55.809  -1.920   0.291
    4    HA   THR   1           HA       THR   1  56.651   0.421  -0.192
    5    HB   THR   1           HB       THR   1  57.901  -0.464  -1.956
    6    HG1  THR   1           HG1      THR   1  56.351  -0.560  -3.512
    7   HG21  THR   1          HG21      THR   1  58.198  -2.811  -1.545
    8   HG22  THR   1          HG22      THR   1  56.532  -2.984  -0.991
    9   HG23  THR   1          HG23      THR   1  57.699  -2.095  -0.012
   10    H    ALA   2           HN       ALA   2  56.212   2.309  -1.263
   11    HA   ALA   2           HA       ALA   2  54.547   2.534  -3.553
   12    HB1  ALA   2           HB1      ALA   2  53.244   3.493  -0.994
   13    HB2  ALA   2           HB2      ALA   2  52.815   1.979  -1.788
   14    HB3  ALA   2           HB3      ALA   2  52.561   3.513  -2.616
   15    H    LYS   3           HN       LYS   3  56.809   3.697  -1.457
   16    HA   LYS   3           HA       LYS   3  56.957   6.226  -2.802
   17    HB2  LYS   3           HB2      LYS   3  55.238   6.606  -1.033
   18    HB3  LYS   3           HB1      LYS   3  56.460   6.167   0.170
   19    HG2  LYS   3           HG2      LYS   3  57.886   7.989  -0.526
   20    HG3  LYS   3           HG1      LYS   3  56.810   8.374  -1.868
   21    HD2  LYS   3           HD2      LYS   3  56.332   9.927  -0.098
   22    HD3  LYS   3           HD1      LYS   3  54.993   8.785  -0.187
   23    HE2  LYS   3           HE2      LYS   3  55.703   7.630   1.758
   24    HE3  LYS   3           HE1      LYS   3  57.309   8.358   1.702
   25    HZ1  LYS   3           HZ1      LYS   3  54.802   9.880   2.134
   26    HZ2  LYS   3           HZ2      LYS   3  56.392  10.465   2.263
   27    HZ3  LYS   3           HZ3      LYS   3  55.807   9.336   3.388
   28    H    ASN   4           HN       ASN   4  59.109   6.613  -3.057
   29    HA   ASN   4           HA       ASN   4  60.971   5.784  -0.906
   30    HB2  ASN   4           HB2      ASN   4  62.611   5.268  -2.744
   31    HB3  ASN   4           HB1      ASN   4  61.248   4.154  -2.634
   32   HD21  ASN   4          HD21      ASN   4  62.084   3.900  -5.066
   33   HD22  ASN   4          HD22      ASN   4  61.307   4.898  -6.198
   34    H    THR   5           HN       THR   5  62.246   7.485  -0.194
   35    HA   THR   5           HA       THR   5  62.917   9.604  -2.125
   36    HB   THR   5           HB       THR   5  61.522  10.253   0.475
   37    HG1  THR   5           HG1      THR   5  59.867  10.922  -0.973
   38   HG21  THR   5          HG21      THR   5  63.123  11.953  -0.178
   39   HG22  THR   5          HG22      THR   5  61.504  12.543  -0.560
   40   HG23  THR   5          HG23      THR   5  62.541  11.914  -1.842
   41    H    VAL   6           HN       VAL   6  64.993   9.546  -2.000
   42    HA   VAL   6           HA       VAL   6  66.444   8.794   0.307
   43    HB   VAL   6           HB       VAL   6  67.217   8.589  -2.086
   44   HG11  VAL   6          HG11      VAL   6  66.694  11.043  -2.594
   45   HG12  VAL   6          HG12      VAL   6  68.254  10.450  -3.165
   46   HG13  VAL   6          HG13      VAL   6  68.166  11.435  -1.704
   47   HG21  VAL   6          HG21      VAL   6  69.612   9.100  -1.445
   48   HG22  VAL   6          HG22      VAL   6  68.733   8.095  -0.293
   49   HG23  VAL   6          HG23      VAL   6  68.985   9.808   0.043
   50    H    VAL   7           HN       VAL   7  67.173   9.849   1.946
   51    HA   VAL   7           HA       VAL   7  66.684  12.724   2.182
   52    HB   VAL   7           HB       VAL   7  67.663  10.718   4.225
   53   HG11  VAL   7          HG11      VAL   7  68.179  12.939   4.942
   54   HG12  VAL   7          HG12      VAL   7  66.706  12.483   5.796
   55   HG13  VAL   7          HG13      VAL   7  66.617  13.551   4.396
   56   HG21  VAL   7          HG21      VAL   7  65.334  10.598   4.971
   57   HG22  VAL   7          HG22      VAL   7  65.429  10.138   3.270
   58   HG23  VAL   7          HG23      VAL   7  64.849  11.742   3.722
   59    H    ARG   8           HN       ARG   8  69.272  10.337   2.378
   60    HA   ARG   8           HA       ARG   8  71.277  12.401   1.784
   61    HB2  ARG   8           HB2      ARG   8  71.549  12.331   4.121
   62    HB3  ARG   8           HB1      ARG   8  71.245  10.600   4.195
   63    HG2  ARG   8           HG2      ARG   8  73.380  10.071   3.274
   64    HG3  ARG   8           HG1      ARG   8  73.661  11.731   2.749
   65    HD2  ARG   8           HD2      ARG   8  73.674  12.430   5.152
   66    HD3  ARG   8           HD1      ARG   8  73.478  10.744   5.622
   67    HE   ARG   8           HE       ARG   8  75.739  11.074   3.909
   68   HH11  ARG   8          HH11      ARG   8  75.057  12.742   6.730
   69   HH12  ARG   8          HH12      ARG   8  76.409  12.149   7.634
   70   HH21  ARG   8          HH21      ARG   8  77.251   9.734   5.293
   71   HH22  ARG   8          HH22      ARG   8  77.653  10.444   6.821
   72    H    GLY   9           HN       GLY   9  72.704  11.746   0.331
   73    HA2  GLY   9           HA2      GLY   9  72.696   8.961  -0.548
   74    HA3  GLY   9           HA1      GLY   9  73.343  10.350  -1.428
   75    H    LEU  10           HN       LEU  10  75.107   8.439  -1.463
   76    HA   LEU  10           HA       LEU  10  76.698   8.170   0.890
   77    HB2  LEU  10           HB2      LEU  10  77.494   7.689  -1.983
   78    HB3  LEU  10           HB1      LEU  10  78.320   7.074  -0.550
   79    HG   LEU  10           HG       LEU  10  75.458   6.478  -1.313
   80   HD11  LEU  10          HD11      LEU  10  77.342   5.449  -2.724
   81   HD12  LEU  10          HD12      LEU  10  76.230   4.303  -1.974
   82   HD13  LEU  10          HD13      LEU  10  77.820   4.579  -1.265
   83   HD21  LEU  10          HD21      LEU  10  77.139   5.869   1.083
   84   HD22  LEU  10          HD22      LEU  10  76.021   4.625   0.541
   85   HD23  LEU  10          HD23      LEU  10  75.423   6.219   0.983
   86    H    GLU  11           HN       GLU  11  79.006   8.790   1.024
   87    HA   GLU  11           HA       GLU  11  79.610  11.365  -0.271
   88    HB2  GLU  11           HB2      GLU  11  79.744  10.796   2.705
   89    HB3  GLU  11           HB1      GLU  11  80.400  12.234   1.924
   90    HG2  GLU  11           HG2      GLU  11  77.489  11.384   1.834
   91    HG3  GLU  11           HG1      GLU  11  78.141  12.640   2.883
   92    H    ASN  12           HN       ASN  12  81.938  11.944   0.154
   93    HA   ASN  12           HA       ASN  12  83.619   9.838  -0.696
   94    HB2  ASN  12           HB2      ASN  12  83.963  12.358  -0.973
   95    HB3  ASN  12           HB1      ASN  12  84.571  12.348   0.682
   96   HD21  ASN  12          HD21      ASN  12  86.778  11.951   0.876
   97   HD22  ASN  12          HD22      ASN  12  87.731  11.173  -0.295
   98    H    VAL  13           HN       VAL  13  85.203   8.639   0.395
   99    HA   VAL  13           HA       VAL  13  85.208   8.807   3.359
  100    HB   VAL  13           HB       VAL  13  84.908   6.280   1.713
  101   HG11  VAL  13          HG11      VAL  13  86.543   5.718   3.354
  102   HG12  VAL  13          HG12      VAL  13  85.008   5.199   4.054
  103   HG13  VAL  13          HG13      VAL  13  85.756   6.704   4.587
  104   HG21  VAL  13          HG21      VAL  13  83.302   7.432   4.018
  105   HG22  VAL  13          HG22      VAL  13  82.929   5.957   3.127
  106   HG23  VAL  13          HG23      VAL  13  82.832   7.521   2.319
  107    H    GLU  14           HN       GLU  14  87.186   8.835   4.221
  108    HA   GLU  14           HA       GLU  14  89.509   8.032   2.548
  109    HB2  GLU  14           HB2      GLU  14  89.096  10.561   2.922
  110    HB3  GLU  14           HB1      GLU  14  89.580  10.258   4.585
  111    HG2  GLU  14           HG2      GLU  14  91.608  10.846   3.555
  112    HG3  GLU  14           HG1      GLU  14  91.659   9.087   3.543
  113    H    ALA  15           HN       ALA  15  90.916   6.646   3.496
  114    HA   ALA  15           HA       ALA  15  91.225   6.550   6.379
  115    HB1  ALA  15           HB1      ALA  15  90.543   4.193   6.590
  116    HB2  ALA  15           HB2      ALA  15  90.022   4.201   4.906
  117    HB3  ALA  15           HB3      ALA  15  89.191   5.211   6.088
  118    H    LEU  16           HN       LEU  16  93.100   5.514   7.026
  119    HA   LEU  16           HA       LEU  16  95.105   5.099   5.010
  120    HB2  LEU  16           HB2      LEU  16  95.033   4.943   8.015
  121    HB3  LEU  16           HB1      LEU  16  96.439   4.337   7.139
  122    HG   LEU  16           HG       LEU  16  95.385   7.063   6.443
  123   HD11  LEU  16          HD11      LEU  16  95.513   7.207   8.863
  124   HD12  LEU  16          HD12      LEU  16  96.909   8.038   8.180
  125   HD13  LEU  16          HD13      LEU  16  97.094   6.424   8.864
  126   HD21  LEU  16          HD21      LEU  16  98.268   6.231   6.733
  127   HD22  LEU  16          HD22      LEU  16  97.561   7.444   5.664
  128   HD23  LEU  16          HD23      LEU  16  97.345   5.729   5.319
  129    H    GLU  17           HN       GLU  17  96.399   3.186   4.798
  130    HA   GLU  17           HA       GLU  17  95.008   0.881   4.155
  131    HB2  GLU  17           HB2      GLU  17  97.383   1.330   3.526
  132    HB3  GLU  17           HB1      GLU  17  97.855   0.977   5.183
  133    HG2  GLU  17           HG2      GLU  17  97.016  -1.287   5.002
  134    HG3  GLU  17           HG1      GLU  17  96.356  -0.957   3.399
  135    H    GLY  18           HN       GLY  18  94.194  -0.804   5.247
  136    HA2  GLY  18           HA2      GLY  18  93.786  -2.317   6.954
  137    HA3  GLY  18           HA1      GLY  18  95.125  -1.605   7.850
  138    H    GLY  19           HN       GLY  19  92.775   0.575   6.655
  139    HA2  GLY  19           HA2      GLY  19  91.901   1.200   9.383
  140    HA3  GLY  19           HA1      GLY  19  91.638   2.181   7.945
  141    H    GLU  20           HN       GLU  20  89.433   2.378   8.713
  142    HA   GLU  20           HA       GLU  20  87.745   0.125   7.809
  143    HB2  GLU  20           HB2      GLU  20  87.936   0.180  10.322
  144    HB3  GLU  20           HB1      GLU  20  87.193   1.778  10.282
  145    HG2  GLU  20           HG2      GLU  20  85.171   0.899   9.317
  146    HG3  GLU  20           HG1      GLU  20  85.918  -0.679   9.057
  147    H    ALA  21           HN       ALA  21  85.771   0.756   6.902
  148    HA   ALA  21           HA       ALA  21  85.319   3.657   6.514
  149    HB1  ALA  21           HB1      ALA  21  85.778   1.537   4.433
  150    HB2  ALA  21           HB2      ALA  21  86.409   3.181   4.504
  151    HB3  ALA  21           HB3      ALA  21  84.723   2.901   4.063
  152    H    LEU  22           HN       LEU  22  83.205   4.239   6.585
  153    HA   LEU  22           HA       LEU  22  81.157   2.108   6.488
  154    HB2  LEU  22           HB2      LEU  22  81.105   4.389   8.469
  155    HB3  LEU  22           HB1      LEU  22  80.059   2.973   8.420
  156    HG   LEU  22           HG       LEU  22  82.437   1.698   8.630
  157   HD11  LEU  22          HD11      LEU  22  83.966   2.887  10.091
  158   HD12  LEU  22          HD12      LEU  22  82.878   4.272  10.170
  159   HD13  LEU  22          HD13      LEU  22  83.690   3.877   8.662
  160   HD21  LEU  22          HD21      LEU  22  80.888   2.963  10.913
  161   HD22  LEU  22          HD22      LEU  22  82.052   1.651  11.103
  162   HD23  LEU  22          HD23      LEU  22  80.572   1.394  10.180
  163    H    PHE  23           HN       PHE  23  79.449   2.564   5.221
  164    HA   PHE  23           HA       PHE  23  79.103   5.369   4.317
  165    HB2  PHE  23           HB2      PHE  23  78.590   2.704   2.996
  166    HB3  PHE  23           HB1      PHE  23  77.864   4.188   2.401
  167    HD1  PHE  23           HD1      PHE  23  79.367   6.100   1.660
  168    HD2  PHE  23           HD2      PHE  23  80.892   2.194   2.598
  169    HE1  PHE  23           HE1      PHE  23  81.464   6.622   0.453
  170    HE2  PHE  23           HE2      PHE  23  82.992   2.732   1.402
  171    HZ   PHE  23           HZ       PHE  23  83.280   4.948   0.327
  172    H    GLU  24           HN       GLU  24  77.595   6.233   5.633
  173    HA   GLU  24           HA       GLU  24  75.155   4.707   6.300
  174    HB2  GLU  24           HB2      GLU  24  76.766   6.824   7.601
  175    HB3  GLU  24           HB1      GLU  24  75.029   7.043   7.766
  176    HG2  GLU  24           HG2      GLU  24  74.789   4.840   8.743
  177    HG3  GLU  24           HG1      GLU  24  76.489   4.473   8.449
  178    H    CYS  25           HN       CYS  25  73.449   4.993   5.090
  179    HA   CYS  25           HA       CYS  25  72.795   7.671   3.986
  180    HB2  CYS  25           HB2      CYS  25  73.413   6.420   2.088
  181    HB3  CYS  25           HB1      CYS  25  72.706   4.938   2.718
  182    HG   CYS  25           HG       CYS  25  70.793   5.593   1.266
  183    H    GLN  26           HN       GLN  26  70.506   8.086   3.766
  184    HA   GLN  26           HA       GLN  26  68.708   6.289   5.279
  185    HB2  GLN  26           HB2      GLN  26  69.040   9.271   5.692
  186    HB3  GLN  26           HB1      GLN  26  67.654   8.354   6.283
  187    HG2  GLN  26           HG2      GLN  26  69.204   6.872   7.542
  188    HG3  GLN  26           HG1      GLN  26  70.559   7.859   6.998
  189   HE21  GLN  26          HE21      GLN  26  70.509   7.900   9.641
  190   HE22  GLN  26          HE22      GLN  26  69.731   9.265  10.283
  191    H    LEU  27           HN       LEU  27  66.634   6.165   4.485
  192    HA   LEU  27           HA       LEU  27  65.815   8.036   2.384
  193    HB2  LEU  27           HB2      LEU  27  65.624   6.511   0.661
  194    HB3  LEU  27           HB1      LEU  27  67.052   5.886   1.478
  195    HG   LEU  27           HG       LEU  27  64.212   4.869   1.717
  196   HD11  LEU  27          HD11      LEU  27  65.377   2.761   0.879
  197   HD12  LEU  27          HD12      LEU  27  66.771   3.784   0.537
  198   HD13  LEU  27          HD13      LEU  27  65.238   4.080  -0.283
  199   HD21  LEU  27          HD21      LEU  27  66.604   4.452   3.464
  200   HD22  LEU  27          HD22      LEU  27  65.666   3.015   3.061
  201   HD23  LEU  27          HD23      LEU  27  64.890   4.372   3.862
  202    H    SER  28           HN       SER  28  63.461   7.449   1.658
  203    HA   SER  28           HA       SER  28  61.963   6.863   4.137
  204    HB2  SER  28           HB2      SER  28  61.832   9.197   3.120
  205    HB3  SER  28           HB1      SER  28  60.912   8.453   1.816
  206    HG   SER  28           HG       SER  28  59.272   8.216   3.117
  207    H    GLN  29           HN       GLN  29  61.303   4.803   4.032
  208    HA   GLN  29           HA       GLN  29  59.153   3.964   2.573
  209    HB2  GLN  29           HB2      GLN  29  60.049   2.332   0.994
  210    HB3  GLN  29           HB1      GLN  29  60.581   3.949   0.566
  211    HG2  GLN  29           HG2      GLN  29  62.651   3.251   2.147
  212    HG3  GLN  29           HG1      GLN  29  62.162   1.644   1.621
  213   HE21  GLN  29          HE21      GLN  29  63.643   1.107   0.014
  214   HE22  GLN  29          HE22      GLN  29  64.012   2.089  -1.320
  215    HA   PRO  30           HA       PRO  30  60.240   1.365   6.136
  216    HB2  PRO  30           HB2      PRO  30  57.619   0.137   6.128
  217    HB3  PRO  30           HB1      PRO  30  58.289   1.294   7.285
  218    HG2  PRO  30           HG2      PRO  30  56.279   1.778   5.354
  219    HG3  PRO  30           HG1      PRO  30  57.076   2.966   6.393
  220    HD2  PRO  30           HD2      PRO  30  57.442   2.520   3.517
  221    HD3  PRO  30           HD1      PRO  30  58.022   3.862   4.525
  222    H    GLU  31           HN       GLU  31  59.225   0.315   2.973
  223    HA   GLU  31           HA       GLU  31  60.597  -2.217   3.457
  224    HB2  GLU  31           HB2      GLU  31  58.212  -2.691   3.975
  225    HB3  GLU  31           HB1      GLU  31  57.784  -2.170   2.342
  226    HG2  GLU  31           HG2      GLU  31  59.182  -3.907   1.368
  227    HG3  GLU  31           HG1      GLU  31  59.763  -4.376   2.963
  228    H    VAL  32           HN       VAL  32  61.734  -2.878   1.782
  229    HA   VAL  32           HA       VAL  32  62.018  -1.202  -0.488
  230    HB   VAL  32           HB       VAL  32  63.928  -2.318   0.484
  231   HG11  VAL  32          HG11      VAL  32  62.838  -4.971  -0.468
  232   HG12  VAL  32          HG12      VAL  32  62.506  -4.379   1.157
  233   HG13  VAL  32          HG13      VAL  32  64.169  -4.669   0.651
  234   HG21  VAL  32          HG21      VAL  32  64.941  -3.064  -1.527
  235   HG22  VAL  32          HG22      VAL  32  63.714  -1.904  -2.035
  236   HG23  VAL  32          HG23      VAL  32  63.407  -3.635  -2.182
  237    H    ALA  33           HN       ALA  33  61.770  -1.653  -2.596
  238    HA   ALA  33           HA       ALA  33  59.743  -3.715  -3.332
  239    HB1  ALA  33           HB1      ALA  33  58.712  -1.659  -3.812
  240    HB2  ALA  33           HB2      ALA  33  59.402  -2.131  -5.364
  241    HB3  ALA  33           HB3      ALA  33  60.215  -0.922  -4.368
  242    H    ALA  34           HN       ALA  34  62.728  -2.096  -4.142
  243    HA   ALA  34           HA       ALA  34  63.810  -4.417  -5.426
  244    HB1  ALA  34           HB1      ALA  34  62.284  -3.440  -7.197
  245    HB2  ALA  34           HB2      ALA  34  63.974  -3.599  -7.678
  246    HB3  ALA  34           HB3      ALA  34  63.334  -2.023  -7.215
  247    H    HIS  35           HN       HIS  35  65.928  -4.369  -4.832
  248    HA   HIS  35           HA       HIS  35  67.336  -1.754  -4.768
  249    HB2  HIS  35           HB2      HIS  35  67.106  -3.814  -2.600
  250    HB3  HIS  35           HB1      HIS  35  68.655  -2.997  -2.781
  251    HD1  HIS  35           HD1      HIS  35  65.345  -1.305  -3.439
  252    HD2  HIS  35           HD2      HIS  35  68.372  -1.284  -0.574
  253    HE1  HIS  35           HE1      HIS  35  64.882   0.656  -1.923
  254    H    THR  36           HN       THR  36  69.206  -1.687  -5.799
  255    HA   THR  36           HA       THR  36  70.620  -4.222  -6.432
  256    HB   THR  36           HB       THR  36  70.067  -1.843  -8.224
  257    HG1  THR  36           HG1      THR  36  69.208  -3.530  -9.531
  258   HG21  THR  36          HG21      THR  36  72.275  -2.312  -8.799
  259   HG22  THR  36          HG22      THR  36  71.402  -3.405  -9.869
  260   HG23  THR  36          HG23      THR  36  72.133  -4.022  -8.388
  261    H    TRP  37           HN       TRP  37  72.465  -4.140  -5.307
  262    HA   TRP  37           HA       TRP  37  73.879  -1.530  -5.072
  263    HB2  TRP  37           HB2      TRP  37  72.859  -2.730  -2.978
  264    HB3  TRP  37           HB1      TRP  37  74.254  -3.787  -3.120
  265    HD1  TRP  37           HD1      TRP  37  76.530  -1.822  -3.855
  266    HE1  TRP  37           HE1      TRP  37  77.311   0.000  -2.219
  267    HE3  TRP  37           HE3      TRP  37  72.385  -1.456  -0.878
  268    HZ2  TRP  37           HZ2      TRP  37  76.327   1.428   0.046
  269    HZ3  TRP  37           HZ3      TRP  37  72.341   0.154   1.009
  270    HH2  TRP  37           HH2      TRP  37  74.300   1.595   1.474
  271    H    LEU  38           HN       LEU  38  75.644  -1.419  -6.167
  272    HA   LEU  38           HA       LEU  38  77.516  -3.677  -6.278
  273    HB2  LEU  38           HB2      LEU  38  76.421  -2.274  -8.717
  274    HB3  LEU  38           HB1      LEU  38  77.888  -3.247  -8.736
  275    HG   LEU  38           HG       LEU  38  75.157  -4.255  -7.882
  276   HD11  LEU  38          HD11      LEU  38  75.426  -3.644 -10.328
  277   HD12  LEU  38          HD12      LEU  38  75.053  -5.342 -10.032
  278   HD13  LEU  38          HD13      LEU  38  76.705  -4.858 -10.418
  279   HD21  LEU  38          HD21      LEU  38  76.533  -6.497  -8.406
  280   HD22  LEU  38          HD22      LEU  38  76.637  -5.730  -6.828
  281   HD23  LEU  38          HD23      LEU  38  77.915  -5.473  -8.012
  282    H    LEU  39           HN       LEU  39  79.264  -2.864  -5.439
  283    HA   LEU  39           HA       LEU  39  80.035  -0.076  -5.978
  284    HB2  LEU  39           HB2      LEU  39  81.868  -0.977  -4.156
  285    HB3  LEU  39           HB1      LEU  39  80.335  -0.270  -3.694
  286    HG   LEU  39           HG       LEU  39  79.321  -2.529  -3.593
  287   HD11  LEU  39          HD11      LEU  39  80.799  -4.506  -3.655
  288   HD12  LEU  39          HD12      LEU  39  82.167  -3.486  -4.063
  289   HD13  LEU  39          HD13      LEU  39  80.837  -3.668  -5.206
  290   HD21  LEU  39          HD21      LEU  39  80.476  -1.382  -1.630
  291   HD22  LEU  39          HD22      LEU  39  81.857  -2.430  -1.950
  292   HD23  LEU  39          HD23      LEU  39  80.303  -3.132  -1.507
  293    H    ASP  40           HN       ASP  40  82.612  -2.148  -5.139
  294    HA   ASP  40           HA       ASP  40  83.897  -1.834  -7.584
  295    HB2  ASP  40           HB2      ASP  40  85.047  -2.563  -5.494
  296    HB3  ASP  40           HB1      ASP  40  84.198  -4.104  -5.574
  297    H    ASP  41           HN       ASP  41  84.246  -3.691  -9.113
  298    HA   ASP  41           HA       ASP  41  81.787  -4.530 -10.165
  299    HB2  ASP  41           HB2      ASP  41  84.608  -5.410 -10.769
  300    HB3  ASP  41           HB1      ASP  41  83.207  -5.890 -11.723
  301    H    GLU  42           HN       GLU  42  82.181  -5.513  -7.392
  302    HA   GLU  42           HA       GLU  42  81.767  -8.394  -7.966
  303    HB2  GLU  42           HB2      GLU  42  83.358  -7.190  -5.688
  304    HB3  GLU  42           HB1      GLU  42  82.795  -8.864  -5.693
  305    HG2  GLU  42           HG2      GLU  42  84.024  -9.311  -7.754
  306    HG3  GLU  42           HG1      GLU  42  84.505  -7.621  -7.871
  307    HA   PRO  43           HA       PRO  43  77.857  -7.606  -5.988
  308    HB2  PRO  43           HB2      PRO  43  77.752 -10.208  -4.692
  309    HB3  PRO  43           HB1      PRO  43  76.843  -9.657  -6.105
  310    HG2  PRO  43           HG2      PRO  43  79.095 -11.452  -6.013
  311    HG3  PRO  43           HG1      PRO  43  78.121 -10.978  -7.408
  312    HD2  PRO  43           HD2      PRO  43  80.810 -10.216  -6.876
  313    HD3  PRO  43           HD1      PRO  43  79.763  -9.574  -8.158
  314    H    VAL  44           HN       VAL  44  77.432  -6.597  -4.025
  315    HA   VAL  44           HA       VAL  44  79.546  -6.744  -2.029
  316    HB   VAL  44           HB       VAL  44  78.708  -4.574  -2.658
  317   HG11  VAL  44          HG11      VAL  44  76.050  -5.099  -1.374
  318   HG12  VAL  44          HG12      VAL  44  76.296  -5.583  -3.047
  319   HG13  VAL  44          HG13      VAL  44  76.495  -3.900  -2.573
  320   HG21  VAL  44          HG21      VAL  44  79.505  -4.939  -0.338
  321   HG22  VAL  44          HG22      VAL  44  77.864  -5.301   0.160
  322   HG23  VAL  44          HG23      VAL  44  78.263  -3.693  -0.415
  323    H    ARG  45           HN       ARG  45  79.303  -8.785  -1.245
  324    HA   ARG  45           HA       ARG  45  77.491  -8.985   0.995
  325    HB2  ARG  45           HB2      ARG  45  77.438 -11.006  -1.264
  326    HB3  ARG  45           HB1      ARG  45  76.842 -11.357   0.360
  327    HG2  ARG  45           HG2      ARG  45  75.399  -9.239   0.113
  328    HG3  ARG  45           HG1      ARG  45  75.808  -9.299  -1.599
  329    HD2  ARG  45           HD2      ARG  45  74.458 -11.485  -0.007
  330    HD3  ARG  45           HD1      ARG  45  73.678 -10.418  -1.169
  331    HE   ARG  45           HE       ARG  45  75.379 -12.695  -1.780
  332   HH11  ARG  45          HH21      ARG  45  72.767 -11.393  -3.074
  333   HH12  ARG  45          HH22      ARG  45  73.382 -11.077  -4.663
  334   HH21  ARG  45          HH11      ARG  45  76.691 -11.549  -3.765
  335   HH22  ARG  45          HH12      ARG  45  75.599 -11.166  -5.053
  336    H    THR  46           HN       THR  46  79.115 -11.606  -0.580
  337    HA   THR  46           HA       THR  46  80.906 -12.918   0.023
  338    HB   THR  46           HB       THR  46  82.940 -11.787   0.168
  339    HG1  THR  46           HG1      THR  46  83.227 -10.431   1.717
  340   HG21  THR  46          HG21      THR  46  81.242  -9.468  -0.711
  341   HG22  THR  46          HG22      THR  46  81.347 -10.932  -1.690
  342   HG23  THR  46          HG23      THR  46  82.802  -9.999  -1.340
  343    H    SER  47           HN       SER  47  82.422 -11.394   2.596
  344    HA   SER  47           HA       SER  47  80.727 -12.747   4.619
  345    HB2  SER  47           HB2      SER  47  82.726 -14.154   3.878
  346    HB3  SER  47           HB1      SER  47  83.737 -12.930   4.644
  347    HG   SER  47           HG       SER  47  81.759 -13.534   6.309
  348    H    GLU  48           HN       GLU  48  82.907 -12.262   6.590
  349    HA   GLU  48           HA       GLU  48  81.926  -9.859   7.623
  350    HB2  GLU  48           HB2      GLU  48  83.177 -11.819   8.779
  351    HB3  GLU  48           HB1      GLU  48  84.642 -10.933   8.361
  352    HG2  GLU  48           HG2      GLU  48  84.061 -10.175  10.538
  353    HG3  GLU  48           HG1      GLU  48  83.530  -8.895   9.449
  354    H    ASN  49           HN       ASN  49  84.889 -10.466   5.743
  355    HA   ASN  49           HA       ASN  49  86.068  -7.911   6.048
  356    HB2  ASN  49           HB2      ASN  49  86.276  -9.895   3.768
  357    HB3  ASN  49           HB1      ASN  49  87.353  -8.519   4.002
  358   HD21  ASN  49          HD21      ASN  49  88.660  -8.538   6.108
  359   HD22  ASN  49          HD22      ASN  49  89.058 -10.042   6.791
  360    H    ALA  50           HN       ALA  50  83.120  -8.457   4.855
  361    HA   ALA  50           HA       ALA  50  82.577  -5.968   3.834
  362    HB1  ALA  50           HB1      ALA  50  84.026  -6.303   1.939
  363    HB2  ALA  50           HB2      ALA  50  82.381  -6.505   1.359
  364    HB3  ALA  50           HB3      ALA  50  83.386  -7.922   1.667
  365    H    GLU  51           HN       GLU  51  80.357  -5.836   3.803
  366    HA   GLU  51           HA       GLU  51  78.590  -7.712   2.729
  367    HB2  GLU  51           HB2      GLU  51  79.287  -9.257   4.506
  368    HB3  GLU  51           HB1      GLU  51  78.959  -8.028   5.725
  369    HG2  GLU  51           HG2      GLU  51  76.598  -8.072   5.246
  370    HG3  GLU  51           HG1      GLU  51  76.847  -9.086   3.823
  371    H    VAL  52           HN       VAL  52  76.382  -6.896   2.827
  372    HA   VAL  52           HA       VAL  52  76.235  -4.196   3.835
  373    HB   VAL  52           HB       VAL  52  74.022  -5.903   2.681
  374   HG11  VAL  52          HG11      VAL  52  74.514  -2.917   2.527
  375   HG12  VAL  52          HG12      VAL  52  73.487  -3.676   3.744
  376   HG13  VAL  52          HG13      VAL  52  73.063  -3.786   2.035
  377   HG21  VAL  52          HG21      VAL  52  76.123  -4.263   1.241
  378   HG22  VAL  52          HG22      VAL  52  74.697  -4.975   0.484
  379   HG23  VAL  52          HG23      VAL  52  75.934  -6.017   1.182
  380    H    VAL  53           HN       VAL  53  75.253  -3.553   5.647
  381    HA   VAL  53           HA       VAL  53  73.639  -5.473   7.229
  382    HB   VAL  53           HB       VAL  53  74.653  -4.297   9.286
  383   HG11  VAL  53          HG11      VAL  53  75.183  -6.602   8.796
  384   HG12  VAL  53          HG12      VAL  53  76.682  -5.774   9.221
  385   HG13  VAL  53          HG13      VAL  53  76.312  -6.119   7.532
  386   HG21  VAL  53          HG21      VAL  53  75.758  -2.483   7.893
  387   HG22  VAL  53          HG22      VAL  53  76.893  -3.713   7.330
  388   HG23  VAL  53          HG23      VAL  53  76.825  -3.294   9.040
  389    H    PHE  54           HN       PHE  54  71.748  -4.585   7.997
  390    HA   PHE  54           HA       PHE  54  71.498  -1.708   8.253
  391    HB2  PHE  54           HB2      PHE  54  69.684  -1.443   6.670
  392    HB3  PHE  54           HB1      PHE  54  71.116  -2.046   5.834
  393    HD1  PHE  54           HD1      PHE  54  71.207  -4.394   5.025
  394    HD2  PHE  54           HD2      PHE  54  67.733  -2.802   6.987
  395    HE1  PHE  54           HE1      PHE  54  69.854  -6.310   4.196
  396    HE2  PHE  54           HE2      PHE  54  66.387  -4.709   6.167
  397    HZ   PHE  54           HZ       PHE  54  67.438  -6.460   4.765
  398    H    PHE  55           HN       PHE  55  69.565  -1.039   9.281
  399    HA   PHE  55           HA       PHE  55  67.967  -3.204  10.520
  400    HB2  PHE  55           HB2      PHE  55  69.036  -0.775  11.972
  401    HB3  PHE  55           HB1      PHE  55  68.200  -2.164  12.668
  402    HD1  PHE  55           HD2      PHE  55  69.294  -4.486  12.389
  403    HD2  PHE  55           HD1      PHE  55  71.395  -0.795  11.740
  404    HE1  PHE  55           HE2      PHE  55  71.456  -5.672  12.637
  405    HE2  PHE  55           HE1      PHE  55  73.559  -1.984  11.986
  406    HZ   PHE  55           HZ       PHE  55  73.589  -4.424  12.435
  407    H    GLU  56           HN       GLU  56  65.950  -2.447  11.433
  408    HA   GLU  56           HA       GLU  56  64.018  -1.211  11.507
  409    HB2  GLU  56           HB2      GLU  56  65.645   0.800  11.660
  410    HB3  GLU  56           HB1      GLU  56  65.320   1.007   9.944
  411    HG2  GLU  56           HG2      GLU  56  62.921   1.226  10.378
  412    HG3  GLU  56           HG1      GLU  56  63.178   0.894  12.088
  413    H    ASN  57           HN       ASN  57  64.904  -3.022   9.419
  414    HA   ASN  57           HA       ASN  57  64.093  -3.930   7.490
  415    HB2  ASN  57           HB2      ASN  57  61.898  -1.870   7.696
  416    HB3  ASN  57           HB1      ASN  57  61.839  -3.427   6.873
  417   HD21  ASN  57          HD21      ASN  57  63.245  -4.931   8.966
  418   HD22  ASN  57          HD22      ASN  57  62.189  -5.032  10.290
  419    H    GLY  58           HN       GLY  58  66.020  -1.668   7.272
  420    HA2  GLY  58           HA2      GLY  58  67.059  -1.026   5.239
  421    HA3  GLY  58           HA1      GLY  58  65.505  -1.095   4.430
  422    H    LEU  59           HN       LEU  59  64.701   0.555   7.102
  423    HA   LEU  59           HA       LEU  59  64.536   3.025   5.770
  424    HB2  LEU  59           HB2      LEU  59  63.264   2.214   7.889
  425    HB3  LEU  59           HB1      LEU  59  64.651   2.840   8.773
  426    HG   LEU  59           HG       LEU  59  64.357   5.012   7.491
  427   HD11  LEU  59          HD11      LEU  59  61.692   5.134   6.906
  428   HD12  LEU  59          HD12      LEU  59  62.039   3.476   6.427
  429   HD13  LEU  59          HD13      LEU  59  62.945   4.808   5.716
  430   HD21  LEU  59          HD21      LEU  59  62.392   5.712   8.953
  431   HD22  LEU  59          HD22      LEU  59  63.738   4.948   9.796
  432   HD23  LEU  59          HD23      LEU  59  62.276   4.023   9.453
  433    H    ARG  60           HN       ARG  60  67.036   1.564   7.682
  434    HA   ARG  60           HA       ARG  60  68.820   3.891   7.199
  435    HB2  ARG  60           HB2      ARG  60  68.576   2.224   9.718
  436    HB3  ARG  60           HB1      ARG  60  69.937   3.295   9.385
  437    HG2  ARG  60           HG2      ARG  60  68.411   5.212   9.201
  438    HG3  ARG  60           HG1      ARG  60  67.029   4.152   9.487
  439    HD2  ARG  60           HD2      ARG  60  67.882   3.587  11.706
  440    HD3  ARG  60           HD1      ARG  60  69.321   4.562  11.429
  441    HE   ARG  60           HE       ARG  60  66.861   6.051  11.145
  442   HH11  ARG  60          HH11      ARG  60  68.598   4.467  13.628
  443   HH12  ARG  60          HH12      ARG  60  68.595   5.818  14.711
  444   HH21  ARG  60          HH21      ARG  60  67.179   7.993  12.413
  445   HH22  ARG  60          HH22      ARG  60  67.811   7.819  14.017
  446    H    HIS  61           HN       HIS  61  69.743   2.923   5.418
  447    HA   HIS  61           HA       HIS  61  70.795   0.223   5.544
  448    HB2  HIS  61           HB2      HIS  61  70.649   2.351   3.431
  449    HB3  HIS  61           HB1      HIS  61  71.642   0.916   3.188
  450    HD1  HIS  61           HD1      HIS  61  68.205   2.111   2.896
  451    HD2  HIS  61           HD2      HIS  61  70.044  -1.591   3.462
  452    HE1  HIS  61           HE1      HIS  61  66.462   0.351   2.351
  453    H    LEU  62           HN       LEU  62  72.706  -0.268   6.412
  454    HA   LEU  62           HA       LEU  62  74.917   1.711   6.282
  455    HB2  LEU  62           HB2      LEU  62  74.290  -0.463   8.298
  456    HB3  LEU  62           HB1      LEU  62  75.859   0.322   8.201
  457    HG   LEU  62           HG       LEU  62  74.682   2.532   8.466
  458   HD11  LEU  62          HD11      LEU  62  72.322   0.695   8.592
  459   HD12  LEU  62          HD12      LEU  62  72.437   2.352   8.004
  460   HD13  LEU  62          HD13      LEU  62  72.336   2.040   9.731
  461   HD21  LEU  62          HD21      LEU  62  74.101   2.004  10.969
  462   HD22  LEU  62          HD22      LEU  62  75.756   1.769  10.413
  463   HD23  LEU  62          HD23      LEU  62  74.681   0.381  10.585
  464    H    LEU  63           HN       LEU  63  77.028   0.879   5.726
  465    HA   LEU  63           HA       LEU  63  77.148  -1.912   4.766
  466    HB2  LEU  63           HB2      LEU  63  76.587  -0.106   2.911
  467    HB3  LEU  63           HB1      LEU  63  78.306   0.254   3.021
  468    HG   LEU  63           HG       LEU  63  77.031  -2.414   2.350
  469   HD11  LEU  63          HD11      LEU  63  78.045  -0.216   0.743
  470   HD12  LEU  63          HD12      LEU  63  77.253  -1.701   0.230
  471   HD13  LEU  63          HD13      LEU  63  79.000  -1.668   0.439
  472   HD21  LEU  63          HD21      LEU  63  79.454  -3.156   2.056
  473   HD22  LEU  63          HD22      LEU  63  78.917  -2.963   3.718
  474   HD23  LEU  63          HD23      LEU  63  79.908  -1.718   2.964
  475    H    LEU  64           HN       LEU  64  78.902  -2.787   5.876
  476    HA   LEU  64           HA       LEU  64  81.138  -0.966   6.532
  477    HB2  LEU  64           HB2      LEU  64  79.843  -2.189   8.348
  478    HB3  LEU  64           HB1      LEU  64  80.562  -3.673   7.725
  479    HG   LEU  64           HG       LEU  64  82.832  -2.317   7.945
  480   HD11  LEU  64          HD11      LEU  64  81.252  -0.282   8.721
  481   HD12  LEU  64          HD12      LEU  64  82.885  -0.490   9.343
  482   HD13  LEU  64          HD13      LEU  64  81.505  -1.027  10.297
  483   HD21  LEU  64          HD21      LEU  64  81.383  -3.364  10.396
  484   HD22  LEU  64          HD22      LEU  64  83.130  -3.224  10.200
  485   HD23  LEU  64          HD23      LEU  64  82.220  -4.368   9.213
  486    H    LEU  65           HN       LEU  65  83.042  -1.194   5.662
  487    HA   LEU  65           HA       LEU  65  83.877  -3.771   4.440
  488    HB2  LEU  65           HB2      LEU  65  84.543  -0.992   3.423
  489    HB3  LEU  65           HB1      LEU  65  85.023  -2.521   2.689
  490    HG   LEU  65           HG       LEU  65  82.178  -1.552   3.018
  491   HD11  LEU  65          HD11      LEU  65  84.025  -1.678   0.623
  492   HD12  LEU  65          HD12      LEU  65  83.276  -0.241   1.318
  493   HD13  LEU  65          HD13      LEU  65  82.283  -1.444   0.496
  494   HD21  LEU  65          HD21      LEU  65  83.422  -4.074   1.946
  495   HD22  LEU  65          HD22      LEU  65  81.872  -3.517   1.316
  496   HD23  LEU  65          HD23      LEU  65  82.041  -3.892   3.022
  497    H    LYS  66           HN       LYS  66  85.508  -4.502   5.856
  498    HA   LYS  66           HA       LYS  66  87.322  -2.477   6.978
  499    HB2  LYS  66           HB2      LYS  66  87.890  -4.189   8.622
  500    HB3  LYS  66           HB1      LYS  66  86.155  -3.905   8.581
  501    HG2  LYS  66           HG2      LYS  66  85.829  -5.888   7.199
  502    HG3  LYS  66           HG1      LYS  66  87.571  -6.168   7.156
  503    HD2  LYS  66           HD2      LYS  66  87.600  -6.404   9.610
  504    HD3  LYS  66           HD1      LYS  66  85.858  -6.129   9.656
  505    HE2  LYS  66           HE2      LYS  66  85.483  -8.117   8.289
  506    HE3  LYS  66           HE1      LYS  66  87.221  -8.390   8.173
  507    HZ1  LYS  66           HZ1      LYS  66  85.448  -9.151  10.217
  508    HZ2  LYS  66           HZ2      LYS  66  86.609  -8.097  10.863
  509    HZ3  LYS  66           HZ3      LYS  66  87.094  -9.513  10.055
  510    H    ASN  67           HN       ASN  67  89.365  -4.297   7.632
  511    HA   ASN  67           HA       ASN  67  91.472  -4.770   6.708
  512    HB2  ASN  67           HB2      ASN  67  90.081  -6.871   6.446
  513    HB3  ASN  67           HB1      ASN  67  89.756  -6.359   4.790
  514   HD21  ASN  67          HD21      ASN  67  91.088  -8.719   4.869
  515   HD22  ASN  67          HD22      ASN  67  92.741  -8.522   4.541
  516    H    LEU  68           HN       LEU  68  90.613  -2.333   5.787
  517    HA   LEU  68           HA       LEU  68  90.358  -2.074   3.027
  518    HB2  LEU  68           HB2      LEU  68  91.641  -0.091   4.896
  519    HB3  LEU  68           HB1      LEU  68  90.998   0.249   3.294
  520    HG   LEU  68           HG       LEU  68  89.398  -0.739   5.670
  521   HD11  LEU  68          HD11      LEU  68  90.111   1.615   5.826
  522   HD12  LEU  68          HD12      LEU  68  88.378   1.510   5.535
  523   HD13  LEU  68          HD13      LEU  68  89.471   1.920   4.216
  524   HD21  LEU  68          HD21      LEU  68  87.479  -0.043   4.021
  525   HD22  LEU  68          HD22      LEU  68  88.244  -1.614   3.810
  526   HD23  LEU  68          HD23      LEU  68  88.705  -0.263   2.772
  527    H    ARG  69           HN       ARG  69  91.708  -1.631   1.358
  528    HA   ARG  69           HA       ARG  69  94.607  -1.823   1.746
  529    HB2  ARG  69           HB2      ARG  69  92.876  -3.796   0.276
  530    HB3  ARG  69           HB1      ARG  69  94.489  -3.456  -0.348
  531    HG2  ARG  69           HG2      ARG  69  95.549  -4.241   1.598
  532    HG3  ARG  69           HG1      ARG  69  94.077  -4.137   2.560
  533    HD2  ARG  69           HD2      ARG  69  94.616  -6.086   0.310
  534    HD3  ARG  69           HD1      ARG  69  94.552  -6.468   2.029
  535    HE   ARG  69           HE       ARG  69  92.110  -5.417   1.640
  536   HH11  ARG  69          HH11      ARG  69  93.160  -8.442   1.441
  537   HH12  ARG  69          HH12      ARG  69  92.173  -8.988   0.127
  538   HH21  ARG  69          HH21      ARG  69  91.126  -5.787  -0.733
  539   HH22  ARG  69          HH22      ARG  69  91.009  -7.472  -1.107
  540    HA   PRO  70           HA       PRO  70  94.635   1.282  -1.411
  541    HB2  PRO  70           HB2      PRO  70  96.592   0.036  -3.146
  542    HB3  PRO  70           HB1      PRO  70  96.850   1.359  -1.997
  543    HG2  PRO  70           HG2      PRO  70  97.560  -1.457  -1.740
  544    HG3  PRO  70           HG1      PRO  70  98.075  -0.081  -0.756
  545    HD2  PRO  70           HD2      PRO  70  96.312  -2.087   0.084
  546    HD3  PRO  70           HD1      PRO  70  96.483  -0.496   0.850
  547    H    GLN  71           HN       GLN  71  94.774  -2.081  -2.391
  548    HA   GLN  71           HA       GLN  71  93.755  -2.011  -4.964
  549    HB2  GLN  71           HB2      GLN  71  94.603  -4.052  -3.923
  550    HB3  GLN  71           HB1      GLN  71  93.268  -4.052  -2.774
  551    HG2  GLN  71           HG2      GLN  71  91.658  -4.415  -4.559
  552    HG3  GLN  71           HG1      GLN  71  92.915  -4.224  -5.782
  553   HE21  GLN  71          HE21      GLN  71  91.316  -6.658  -5.490
  554   HE22  GLN  71          HE22      GLN  71  92.383  -7.903  -5.045
  555    H    ASP  72           HN       ASP  72  91.856  -2.411  -1.923
  556    HA   ASP  72           HA       ASP  72  89.341  -2.553  -2.882
  557    HB2  ASP  72           HB2      ASP  72  89.996  -2.623  -0.494
  558    HB3  ASP  72           HB1      ASP  72  90.168  -0.870  -0.517
  559    H    SER  73           HN       SER  73  91.166   0.569  -2.540
  560    HA   SER  73           HA       SER  73  89.178   2.371  -2.911
  561    HB2  SER  73           HB2      SER  73  91.871   2.313  -4.281
  562    HB3  SER  73           HB1      SER  73  90.811   3.720  -4.233
  563    HG   SER  73           HG       SER  73  92.550   2.942  -2.419
  564    H    CYS  74           HN       CYS  74  87.463   2.156  -4.181
  565    HA   CYS  74           HA       CYS  74  87.845   2.017  -7.067
  566    HB2  CYS  74           HB2      CYS  74  86.156  -0.059  -5.662
  567    HB3  CYS  74           HB1      CYS  74  86.413   0.092  -7.399
  568    HG   CYS  74           HG       CYS  74  89.068  -0.207  -5.987
  569    H    ARG  75           HN       ARG  75  85.337   1.489  -7.872
  570    HA   ARG  75           HA       ARG  75  83.953   3.932  -7.222
  571    HB2  ARG  75           HB2      ARG  75  84.003   3.383  -9.521
  572    HB3  ARG  75           HB1      ARG  75  83.593   1.698  -9.223
  573    HG2  ARG  75           HG2      ARG  75  81.689   2.979 -10.177
  574    HG3  ARG  75           HG1      ARG  75  81.305   2.345  -8.580
  575    HD2  ARG  75           HD2      ARG  75  80.617   4.715  -8.872
  576    HD3  ARG  75           HD1      ARG  75  81.767   4.499  -7.572
  577    HE   ARG  75           HE       ARG  75  83.395   5.620  -8.844
  578   HH11  ARG  75          HH21      ARG  75  82.965   4.441 -11.519
  579   HH12  ARG  75          HH22      ARG  75  82.292   5.750 -12.430
  580   HH21  ARG  75          HH11      ARG  75  81.415   7.586  -9.608
  581   HH22  ARG  75          HH12      ARG  75  81.426   7.552 -11.339
  582    H    VAL  76           HN       VAL  76  82.344   4.124  -5.755
  583    HA   VAL  76           HA       VAL  76  80.951   1.679  -4.803
  584    HB   VAL  76           HB       VAL  76  81.376   4.319  -3.382
  585   HG11  VAL  76          HG11      VAL  76  79.237   3.437  -2.743
  586   HG12  VAL  76          HG12      VAL  76  80.367   3.023  -1.452
  587   HG13  VAL  76          HG13      VAL  76  79.882   1.801  -2.628
  588   HG21  VAL  76          HG21      VAL  76  82.654   2.844  -1.785
  589   HG22  VAL  76          HG22      VAL  76  83.405   2.994  -3.375
  590   HG23  VAL  76          HG23      VAL  76  82.503   1.537  -2.959
  591    H    THR  77           HN       THR  77  79.006   1.513  -5.824
  592    HA   THR  77           HA       THR  77  77.352   3.971  -6.068
  593    HB   THR  77           HB       THR  77  77.569   1.757  -8.115
  594    HG1  THR  77           HG1      THR  77  79.133   2.965  -8.796
  595   HG21  THR  77          HG21      THR  77  75.325   2.596  -8.097
  596   HG22  THR  77          HG22      THR  77  76.142   3.402  -9.434
  597   HG23  THR  77          HG23      THR  77  75.882   4.259  -7.916
  598    H    PHE  78           HN       PHE  78  75.334   3.853  -5.457
  599    HA   PHE  78           HA       PHE  78  74.149   1.227  -4.765
  600    HB2  PHE  78           HB2      PHE  78  74.771   2.299  -2.700
  601    HB3  PHE  78           HB1      PHE  78  74.103   3.837  -3.235
  602    HD1  PHE  78           HD2      PHE  78  72.854   0.286  -3.110
  603    HD2  PHE  78           HD1      PHE  78  72.129   4.402  -2.111
  604    HE1  PHE  78           HE2      PHE  78  70.685  -0.345  -2.095
  605    HE2  PHE  78           HE1      PHE  78  69.958   3.770  -1.106
  606    HZ   PHE  78           HZ       PHE  78  69.245   1.395  -1.083
  607    H    LEU  79           HN       LEU  79  72.459   0.869  -6.075
  608    HA   LEU  79           HA       LEU  79  70.919   3.196  -7.075
  609    HB2  LEU  79           HB2      LEU  79  72.059   2.085  -8.877
  610    HB3  LEU  79           HB1      LEU  79  71.484   0.511  -8.341
  611    HG   LEU  79           HG       LEU  79  69.211   1.045  -8.934
  612   HD11  LEU  79          HD11      LEU  79  70.290   3.843  -9.214
  613   HD12  LEU  79          HD12      LEU  79  68.911   3.284  -8.266
  614   HD13  LEU  79          HD13      LEU  79  68.802   3.362 -10.025
  615   HD21  LEU  79          HD21      LEU  79  69.417   1.304 -11.307
  616   HD22  LEU  79          HD22      LEU  79  70.879   0.475 -10.770
  617   HD23  LEU  79          HD23      LEU  79  70.924   2.200 -11.140
  618    H    ALA  80           HN       ALA  80  69.394   3.291  -5.455
  619    HA   ALA  80           HA       ALA  80  67.577   0.961  -5.180
  620    HB1  ALA  80           HB1      ALA  80  66.839   2.708  -3.174
  621    HB2  ALA  80           HB2      ALA  80  68.571   3.016  -3.294
  622    HB3  ALA  80           HB3      ALA  80  67.984   1.384  -2.978
  623    H    GLY  81           HN       GLY  81  66.173   1.224  -6.845
  624    HA2  GLY  81           HA2      GLY  81  64.427   2.106  -8.071
  625    HA3  GLY  81           HA1      GLY  81  64.037   3.011  -6.611
  626    H    ASP  82           HN       ASP  82  63.380   4.670  -8.213
  627    HA   ASP  82           HA       ASP  82  65.039   5.982  -9.989
  628    HB2  ASP  82           HB2      ASP  82  62.746   6.925  -8.269
  629    HB3  ASP  82           HB1      ASP  82  63.518   7.971  -9.468
  630    H    MET  83           HN       MET  83  65.847   5.568  -6.881
  631    HA   MET  83           HA       MET  83  67.112   8.229  -6.564
  632    HB2  MET  83           HB2      MET  83  66.839   6.123  -4.425
  633    HB3  MET  83           HB1      MET  83  67.125   7.852  -4.243
  634    HG2  MET  83           HG2      MET  83  64.832   8.155  -5.409
  635    HG3  MET  83           HG1      MET  83  64.579   6.449  -5.048
  636    HE1  MET  83           HE1      MET  83  64.445   6.046  -1.408
  637    HE2  MET  83           HE2      MET  83  66.112   6.261  -1.937
  638    HE3  MET  83           HE3      MET  83  64.971   5.406  -2.974
  639    H    VAL  84           HN       VAL  84  69.221   8.317  -7.096
  640    HA   VAL  84           HA       VAL  84  70.893   5.904  -6.659
  641    HB   VAL  84           HB       VAL  84  70.622   6.132  -9.025
  642   HG11  VAL  84          HG11      VAL  84  69.772   8.463  -8.988
  643   HG12  VAL  84          HG12      VAL  84  71.020   8.226 -10.210
  644   HG13  VAL  84          HG13      VAL  84  71.415   9.034  -8.696
  645   HG21  VAL  84          HG21      VAL  84  73.239   7.526  -8.400
  646   HG22  VAL  84          HG22      VAL  84  72.896   6.407  -9.718
  647   HG23  VAL  84          HG23      VAL  84  72.974   5.815  -8.060
  648    H    THR  85           HN       THR  85  72.538   6.170  -5.398
  649    HA   THR  85           HA       THR  85  73.655   8.866  -4.880
  650    HB   THR  85           HB       THR  85  73.644   8.460  -2.570
  651    HG1  THR  85           HG1      THR  85  73.012   5.751  -2.955
  652   HG21  THR  85          HG21      THR  85  71.393   7.692  -1.987
  653   HG22  THR  85          HG22      THR  85  71.227   6.905  -3.549
  654   HG23  THR  85          HG23      THR  85  71.312   8.665  -3.454
  655    H    SER  86           HN       SER  86  75.825   8.917  -5.297
  656    HA   SER  86           HA       SER  86  77.393   6.435  -4.931
  657    HB2  SER  86           HB2      SER  86  77.602   8.131  -7.413
  658    HB3  SER  86           HB1      SER  86  78.377   6.581  -7.098
  659    HG   SER  86           HG       SER  86  76.390   6.572  -8.410
  660    H    ALA  87           HN       ALA  87  79.438   6.716  -4.244
  661    HA   ALA  87           HA       ALA  87  80.668   9.385  -4.341
  662    HB1  ALA  87           HB1      ALA  87  80.167   7.773  -1.832
  663    HB2  ALA  87           HB2      ALA  87  79.637   9.419  -2.177
  664    HB3  ALA  87           HB3      ALA  87  81.349   9.078  -1.926
  665    H    PHE  88           HN       PHE  88  82.944   9.333  -4.023
  666    HA   PHE  88           HA       PHE  88  84.168   6.974  -5.125
  667    HB2  PHE  88           HB2      PHE  88  85.383   9.552  -4.120
  668    HB3  PHE  88           HB1      PHE  88  86.208   8.336  -5.090
  669    HD1  PHE  88           HD1      PHE  88  85.010   7.682  -7.364
  670    HD2  PHE  88           HD2      PHE  88  84.304  11.332  -5.204
  671    HE1  PHE  88           HE1      PHE  88  84.166   8.751  -9.437
  672    HE2  PHE  88           HE2      PHE  88  83.456  12.393  -7.276
  673    HZ   PHE  88           HZ       PHE  88  83.389  11.106  -9.392
  674    H    LEU  89           HN       LEU  89  86.189   6.080  -4.201
  675    HA   LEU  89           HA       LEU  89  86.214   6.011  -1.236
  676    HB2  LEU  89           HB2      LEU  89  85.187   3.925  -2.040
  677    HB3  LEU  89           HB1      LEU  89  86.560   3.642  -3.103
  678    HG   LEU  89           HG       LEU  89  88.052   3.443  -1.152
  679   HD11  LEU  89          HD11      LEU  89  86.826   3.242   1.131
  680   HD12  LEU  89          HD12      LEU  89  85.526   4.143   0.354
  681   HD13  LEU  89          HD13      LEU  89  87.129   4.863   0.509
  682   HD21  LEU  89          HD21      LEU  89  87.099   1.342  -0.246
  683   HD22  LEU  89          HD22      LEU  89  86.884   1.435  -1.995
  684   HD23  LEU  89          HD23      LEU  89  85.527   1.770  -0.918
  685    H    THR  90           HN       THR  90  88.250   6.120  -0.326
  686    HA   THR  90           HA       THR  90  90.595   5.954  -2.118
  687    HB   THR  90           HB       THR  90  91.411   8.081  -0.790
  688    HG1  THR  90           HG1      THR  90  88.620   8.507  -0.804
  689   HG21  THR  90          HG21      THR  90  91.058   8.024  -3.219
  690   HG22  THR  90          HG22      THR  90  90.452   9.537  -2.543
  691   HG23  THR  90          HG23      THR  90  89.325   8.252  -2.983
  692    H    VAL  91           HN       VAL  91  92.133   4.762  -1.260
  693    HA   VAL  91           HA       VAL  91  92.447   4.670   1.684
  694    HB   VAL  91           HB       VAL  91  92.282   2.331  -0.225
  695   HG11  VAL  91          HG11      VAL  91  94.125   1.776   1.154
  696   HG12  VAL  91          HG12      VAL  91  92.750   1.013   1.946
  697   HG13  VAL  91          HG13      VAL  91  93.399   2.526   2.576
  698   HG21  VAL  91          HG21      VAL  91  90.134   3.082   0.591
  699   HG22  VAL  91          HG22      VAL  91  90.740   3.167   2.246
  700   HG23  VAL  91          HG23      VAL  91  90.556   1.604   1.452
  701    H    ARG  92           HN       ARG  92  94.473   5.288   2.164
  702    HA   ARG  92           HA       ARG  92  96.537   5.257   0.137
  703    HB2  ARG  92           HB2      ARG  92  96.472   6.218   3.007
  704    HB3  ARG  92           HB1      ARG  92  97.934   6.241   2.026
  705    HG2  ARG  92           HG2      ARG  92  97.190   8.365   1.522
  706    HG3  ARG  92           HG1      ARG  92  96.272   7.504   0.294
  707    HD2  ARG  92           HD2      ARG  92  94.811   9.041   1.509
  708    HD3  ARG  92           HD1      ARG  92  94.342   7.378   1.846
  709    HE   ARG  92           HE       ARG  92  94.908   7.736   4.061
  710   HH11  ARG  92          HH21      ARG  92  96.197  10.262   2.062
  711   HH12  ARG  92          HH22      ARG  92  96.879  11.141   3.389
  712   HH21  ARG  92          HH11      ARG  92  95.908   8.830   5.778
  713   HH22  ARG  92          HH12      ARG  92  96.736  10.322   5.483
  714    H    GLY  93           HN       GLY  93  98.799   4.607   0.950
  715    HA2  GLY  93           HA2      GLY  93  98.661   1.777   1.619
  716    HA3  GLY  93           HA1      GLY  93 100.086   2.673   1.101
  717    H    GLY  94           HN       GLY  94 100.994   1.345   2.967
  718    HA2  GLY  94           HA2      GLY  94 101.217   3.070   5.281
  719    HA3  GLY  94           HA1      GLY  94 100.444   1.525   5.617
  720    H    LEU  95           HN       LEU  95 102.207   0.961   7.005
  721    HA   LEU  95           HA       LEU  95 104.499  -0.168   5.549
  722    HB2  LEU  95           HB2      LEU  95 105.292   2.004   6.340
  723    HB3  LEU  95           HB1      LEU  95 104.736   1.641   7.971
  724    HG   LEU  95           HG       LEU  95 106.339  -0.218   8.126
  725   HD11  LEU  95          HD11      LEU  95 106.827   0.507   5.237
  726   HD12  LEU  95          HD12      LEU  95 106.595  -1.087   5.953
  727   HD13  LEU  95          HD13      LEU  95 108.117  -0.232   6.188
  728   HD21  LEU  95          HD21      LEU  95 107.152   1.928   8.854
  729   HD22  LEU  95          HD22      LEU  95 107.452   2.437   7.192
  730   HD23  LEU  95          HD23      LEU  95 108.448   1.178   7.918
  731    H    GLU  96           HN       GLU  96 103.668  -2.209   5.919
  732    HA   GLU  96           HA       GLU  96 102.988  -3.074   8.611
  733    HB2  GLU  96           HB2      GLU  96 102.431  -5.208   7.524
  734    HB3  GLU  96           HB1      GLU  96 101.668  -3.853   6.696
  735    HG2  GLU  96           HG2      GLU  96 103.535  -3.864   5.038
  736    HG3  GLU  96           HG1      GLU  96 104.188  -5.298   5.830
  737    H    HIS  97           HN       HIS  97 104.224  -4.261   9.957
  738    HA   HIS  97           HA       HIS  97 106.839  -5.282   8.984
  739    HB2  HIS  97           HB2      HIS  97 106.222  -3.833  11.573
  740    HB3  HIS  97           HB1      HIS  97 107.664  -4.822  11.353
  741    HD1  HIS  97           HD1      HIS  97 109.246  -4.101   9.279
  742    HD2  HIS  97           HD2      HIS  97 106.460  -1.256  10.520
  743    HE1  HIS  97           HE1      HIS  97 110.000  -1.890   8.304
  744    H    HIS  98           HN       HIS  98 103.913  -6.192   9.820
  745    HA   HIS  98           HA       HIS  98 104.772  -8.539  11.436
  746    HB2  HIS  98           HB2      HIS  98 102.075  -7.175  11.256
  747    HB3  HIS  98           HB1      HIS  98 102.400  -8.659  12.152
  748    HD1  HIS  98           HD1      HIS  98 103.586  -8.463  14.390
  749    HD2  HIS  98           HD2      HIS  98 103.348  -4.822  12.375
  750    HE1  HIS  98           HE1      HIS  98 104.284  -6.681  16.047
  751    H    HIS  99           HN       HIS  99 104.337 -10.535  10.671
  752    HA   HIS  99           HA       HIS  99 103.331 -10.767   7.933
  753    HB2  HIS  99           HB2      HIS  99 104.565 -12.783   9.825
  754    HB3  HIS  99           HB1      HIS  99 104.070 -13.134   8.167
  755    HD1  HIS  99           HD1      HIS  99 105.337 -11.732   6.257
  756    HD2  HIS  99           HD2      HIS  99 107.040 -11.530  10.055
  757    HE1  HIS  99           HE1      HIS  99 107.678 -10.812   5.945
  758    H    HIS 100           HN       HIS 100 101.974 -12.866   7.586
  759    HA   HIS 100           HA       HIS 100  99.820 -12.984   9.634
  760    HB2  HIS 100           HB2      HIS 100  99.165 -11.737   7.564
  761    HB3  HIS 100           HB1      HIS 100  99.477 -13.202   6.635
  762    HD1  HIS 100           HD1      HIS 100  97.240 -11.899   9.402
  763    HD2  HIS 100           HD2      HIS 100  97.451 -15.123   6.766
  764    HE1  HIS 100           HE1      HIS 100  95.035 -13.132   9.600
  765    H    HIS 101           HN       HIS 101  99.645 -14.945  10.484
  766    HA   HIS 101           HA       HIS 101 100.023 -17.205  10.826
  767    HB2  HIS 101           HB2      HIS 101  97.947 -17.199   9.490
  768    HB3  HIS 101           HB1      HIS 101  98.905 -17.270   8.013
  769    HD1  HIS 101           HD1      HIS 101  98.288 -19.308  11.172
  770    HD2  HIS 101           HD2      HIS 101  99.681 -19.829   7.276
  771    HE1  HIS 101           HE1      HIS 101  98.616 -21.800  10.855
  772    H    HIS 102           HN       HIS 102 102.249 -15.659   9.603
  773    HA   HIS 102           HA       HIS 102 104.282 -15.989   8.564
  774    HB2  HIS 102           HB2      HIS 102 103.873 -18.770   9.679
  775    HB3  HIS 102           HB1      HIS 102 105.415 -18.033   9.245
  776    HD1  HIS 102           HD1      HIS 102 105.684 -15.509  10.557
  777    HD2  HIS 102           HD2      HIS 102 103.382 -18.480  12.357
  778    HE1  HIS 102           HE1      HIS 102 105.503 -14.889  13.006
  Start of MODEL   10
    1    H1   THR   1           HT1      THR   1  53.476  -0.021  -1.462
    2    H2   THR   1           HT2      THR   1  54.638   0.380  -0.287
    3    H3   THR   1           HT3      THR   1  55.093  -0.484  -1.677
    4    HA   THR   1           HA       THR   1  55.800   1.750  -1.985
    5    HB   THR   1           HB       THR   1  53.219   1.242  -3.498
    6    HG1  THR   1           HG1      THR   1  54.564  -0.477  -3.785
    7   HG21  THR   1          HG21      THR   1  54.473   2.567  -5.276
    8   HG22  THR   1          HG22      THR   1  55.609   3.022  -4.004
    9   HG23  THR   1          HG23      THR   1  53.916   3.494  -3.884
   10    H    ALA   2           HN       ALA   2  55.651   3.769  -1.177
   11    HA   ALA   2           HA       ALA   2  53.081   5.039  -0.726
   12    HB1  ALA   2           HB1      ALA   2  53.362   5.394   1.650
   13    HB2  ALA   2           HB2      ALA   2  54.918   4.563   1.632
   14    HB3  ALA   2           HB3      ALA   2  53.434   3.659   1.336
   15    H    LYS   3           HN       LYS   3  56.591   5.107  -0.325
   16    HA   LYS   3           HA       LYS   3  56.802   7.694  -1.517
   17    HB2  LYS   3           HB2      LYS   3  57.867   8.739   0.579
   18    HB3  LYS   3           HB1      LYS   3  56.107   8.628   0.547
   19    HG2  LYS   3           HG2      LYS   3  56.071   6.811   2.055
   20    HG3  LYS   3           HG1      LYS   3  57.768   6.426   1.775
   21    HD2  LYS   3           HD2      LYS   3  57.280   7.575   3.990
   22    HD3  LYS   3           HD1      LYS   3  58.500   8.368   2.995
   23    HE2  LYS   3           HE2      LYS   3  56.968  10.057   2.290
   24    HE3  LYS   3           HE1      LYS   3  55.582   9.159   2.909
   25    HZ1  LYS   3           HZ1      LYS   3  57.435  10.877   4.298
   26    HZ2  LYS   3           HZ2      LYS   3  57.134   9.406   5.094
   27    HZ3  LYS   3           HZ3      LYS   3  55.846  10.443   4.704
   28    H    ASN   4           HN       ASN   4  58.860   8.066  -2.248
   29    HA   ASN   4           HA       ASN   4  61.084   6.533  -1.120
   30    HB2  ASN   4           HB2      ASN   4  61.846   5.766  -3.258
   31    HB3  ASN   4           HB1      ASN   4  60.175   5.253  -3.085
   32   HD21  ASN   4          HD21      ASN   4  61.667   5.741  -5.613
   33   HD22  ASN   4          HD22      ASN   4  60.786   6.933  -6.440
   34    H    THR   5           HN       THR   5  62.424   8.143  -0.466
   35    HA   THR   5           HA       THR   5  63.262  10.119  -2.428
   36    HB   THR   5           HB       THR   5  61.490  10.860  -0.099
   37    HG1  THR   5           HG1      THR   5  60.848  10.469  -2.417
   38   HG21  THR   5          HG21      THR   5  62.121  13.273  -0.874
   39   HG22  THR   5          HG22      THR   5  63.587  12.515  -1.493
   40   HG23  THR   5          HG23      THR   5  63.205  12.427   0.227
   41    H    VAL   6           HN       VAL   6  65.336   9.822  -2.155
   42    HA   VAL   6           HA       VAL   6  66.699   9.087   0.168
   43    HB   VAL   6           HB       VAL   6  67.702   8.969  -2.081
   44   HG11  VAL   6          HG11      VAL   6  68.423  10.872  -3.276
   45   HG12  VAL   6          HG12      VAL   6  68.288  11.922  -1.866
   46   HG13  VAL   6          HG13      VAL   6  66.833  11.344  -2.678
   47   HG21  VAL   6          HG21      VAL   6  69.052   9.037   0.081
   48   HG22  VAL   6          HG22      VAL   6  69.381  10.730  -0.287
   49   HG23  VAL   6          HG23      VAL   6  69.934   9.464  -1.384
   50    H    VAL   7           HN       VAL   7  67.189  10.076   1.977
   51    HA   VAL   7           HA       VAL   7  66.779  12.964   2.256
   52    HB   VAL   7           HB       VAL   7  67.508  10.849   4.304
   53   HG11  VAL   7          HG11      VAL   7  68.226  13.021   5.074
   54   HG12  VAL   7          HG12      VAL   7  66.722  12.634   5.909
   55   HG13  VAL   7          HG13      VAL   7  66.712  13.762   4.554
   56   HG21  VAL   7          HG21      VAL   7  64.864  12.149   3.581
   57   HG22  VAL   7          HG22      VAL   7  65.121  11.133   5.000
   58   HG23  VAL   7          HG23      VAL   7  65.288  10.451   3.383
   59    H    ARG   8           HN       ARG   8  69.267  10.547   2.124
   60    HA   ARG   8           HA       ARG   8  71.329  12.563   1.827
   61    HB2  ARG   8           HB2      ARG   8  71.604  12.387   4.169
   62    HB3  ARG   8           HB1      ARG   8  71.281  10.654   4.163
   63    HG2  ARG   8           HG2      ARG   8  73.401  10.137   3.229
   64    HG3  ARG   8           HG1      ARG   8  73.676  11.791   2.691
   65    HD2  ARG   8           HD2      ARG   8  73.760  12.480   5.112
   66    HD3  ARG   8           HD1      ARG   8  73.616  10.783   5.558
   67    HE   ARG   8           HE       ARG   8  75.807  11.320   3.750
   68   HH11  ARG   8          HH11      ARG   8  75.272  12.527   6.814
   69   HH12  ARG   8          HH12      ARG   8  76.610  11.734   7.576
   70   HH21  ARG   8          HH21      ARG   8  77.325   9.732   4.843
   71   HH22  ARG   8          HH22      ARG   8  77.763  10.147   6.466
   72    H    GLY   9           HN       GLY   9  72.566  11.940   0.197
   73    HA2  GLY   9           HA2      GLY   9  72.534   9.171  -0.676
   74    HA3  GLY   9           HA1      GLY   9  73.283  10.536  -1.516
   75    H    LEU  10           HN       LEU  10  74.987   8.620  -1.501
   76    HA   LEU  10           HA       LEU  10  76.449   8.237   0.911
   77    HB2  LEU  10           HB2      LEU  10  77.127   7.755  -1.990
   78    HB3  LEU  10           HB1      LEU  10  78.156   7.252  -0.647
   79    HG   LEU  10           HG       LEU  10  75.226   6.496  -0.805
   80   HD11  LEU  10          HD11      LEU  10  76.556   5.673  -2.808
   81   HD12  LEU  10          HD12      LEU  10  75.831   4.405  -1.829
   82   HD13  LEU  10          HD13      LEU  10  77.551   4.762  -1.680
   83   HD21  LEU  10          HD21      LEU  10  77.580   5.670   0.885
   84   HD22  LEU  10          HD22      LEU  10  76.288   4.515   0.599
   85   HD23  LEU  10          HD23      LEU  10  75.934   6.049   1.379
   86    H    GLU  11           HN       GLU  11  78.751   8.907   1.177
   87    HA   GLU  11           HA       GLU  11  79.333  11.532  -0.052
   88    HB2  GLU  11           HB2      GLU  11  79.462  10.840   2.898
   89    HB3  GLU  11           HB1      GLU  11  80.098  12.318   2.176
   90    HG2  GLU  11           HG2      GLU  11  77.843  12.903   1.367
   91    HG3  GLU  11           HG1      GLU  11  77.205  11.417   2.069
   92    H    ASN  12           HN       ASN  12  81.632  12.100   0.187
   93    HA   ASN  12           HA       ASN  12  83.324  10.000  -0.569
   94    HB2  ASN  12           HB2      ASN  12  84.055  12.663   0.677
   95    HB3  ASN  12           HB1      ASN  12  85.155  11.608  -0.208
   96   HD21  ASN  12          HD21      ASN  12  83.805  14.427  -0.759
   97   HD22  ASN  12          HD22      ASN  12  83.304  14.269  -2.373
   98    H    VAL  13           HN       VAL  13  84.743   8.718   0.553
   99    HA   VAL  13           HA       VAL  13  84.860   8.941   3.498
  100    HB   VAL  13           HB       VAL  13  84.045   6.495   1.922
  101   HG11  VAL  13          HG11      VAL  13  85.675   5.549   3.330
  102   HG12  VAL  13          HG12      VAL  13  84.205   5.393   4.293
  103   HG13  VAL  13          HG13      VAL  13  85.349   6.693   4.632
  104   HG21  VAL  13          HG21      VAL  13  82.200   7.873   2.693
  105   HG22  VAL  13          HG22      VAL  13  82.901   7.984   4.306
  106   HG23  VAL  13          HG23      VAL  13  82.274   6.442   3.723
  107    H    GLU  14           HN       GLU  14  86.844   8.618   4.313
  108    HA   GLU  14           HA       GLU  14  88.919   7.425   2.562
  109    HB2  GLU  14           HB2      GLU  14  90.511   9.111   3.579
  110    HB3  GLU  14           HB1      GLU  14  89.340   9.769   2.440
  111    HG2  GLU  14           HG2      GLU  14  88.777   9.724   5.405
  112    HG3  GLU  14           HG1      GLU  14  89.698  11.032   4.670
  113    H    ALA  15           HN       ALA  15  90.304   6.039   3.532
  114    HA   ALA  15           HA       ALA  15  90.391   5.884   6.465
  115    HB1  ALA  15           HB1      ALA  15  90.134   3.332   6.196
  116    HB2  ALA  15           HB2      ALA  15  89.446   3.693   4.610
  117    HB3  ALA  15           HB3      ALA  15  88.672   4.308   6.070
  118    H    LEU  16           HN       LEU  16  92.405   5.587   7.152
  119    HA   LEU  16           HA       LEU  16  94.557   5.380   5.334
  120    HB2  LEU  16           HB2      LEU  16  95.975   5.491   7.215
  121    HB3  LEU  16           HB1      LEU  16  94.554   6.426   7.662
  122    HG   LEU  16           HG       LEU  16  93.793   3.942   8.557
  123   HD11  LEU  16          HD11      LEU  16  95.569   2.682   9.410
  124   HD12  LEU  16          HD12      LEU  16  96.696   4.039   9.369
  125   HD13  LEU  16          HD13      LEU  16  96.234   3.231   7.874
  126   HD21  LEU  16          HD21      LEU  16  93.631   5.887   9.951
  127   HD22  LEU  16          HD22      LEU  16  95.380   6.105   9.965
  128   HD23  LEU  16          HD23      LEU  16  94.654   4.745  10.826
  129    H    GLU  17           HN       GLU  17  96.187   3.698   5.300
  130    HA   GLU  17           HA       GLU  17  95.367   1.283   4.411
  131    HB2  GLU  17           HB2      GLU  17  97.679   2.139   4.326
  132    HB3  GLU  17           HB1      GLU  17  97.872   1.762   6.036
  133    HG2  GLU  17           HG2      GLU  17  97.023  -0.342   4.042
  134    HG3  GLU  17           HG1      GLU  17  98.723   0.023   4.326
  135    H    GLY  18           HN       GLY  18  94.483  -0.515   5.176
  136    HA2  GLY  18           HA2      GLY  18  93.844  -2.198   6.603
  137    HA3  GLY  18           HA1      GLY  18  95.028  -1.598   7.762
  138    H    GLY  19           HN       GLY  19  92.369   0.288   6.415
  139    HA2  GLY  19           HA2      GLY  19  91.210   0.510   9.141
  140    HA3  GLY  19           HA1      GLY  19  91.081   1.738   7.882
  141    H    GLU  20           HN       GLU  20  88.762   1.557   8.406
  142    HA   GLU  20           HA       GLU  20  87.468  -0.565   6.794
  143    HB2  GLU  20           HB2      GLU  20  85.611  -0.590   8.432
  144    HB3  GLU  20           HB1      GLU  20  87.127  -1.114   9.159
  145    HG2  GLU  20           HG2      GLU  20  86.038   1.714   9.351
  146    HG3  GLU  20           HG1      GLU  20  85.834   0.482  10.593
  147    H    ALA  21           HN       ALA  21  85.033   0.184   6.458
  148    HA   ALA  21           HA       ALA  21  85.032   3.106   5.883
  149    HB1  ALA  21           HB1      ALA  21  83.925   0.986   4.029
  150    HB2  ALA  21           HB2      ALA  21  85.503   1.748   3.823
  151    HB3  ALA  21           HB3      ALA  21  84.036   2.721   3.729
  152    H    LEU  22           HN       LEU  22  83.250   4.160   6.495
  153    HA   LEU  22           HA       LEU  22  80.883   2.566   7.322
  154    HB2  LEU  22           HB2      LEU  22  81.579   5.307   8.388
  155    HB3  LEU  22           HB1      LEU  22  80.447   4.133   9.046
  156    HG   LEU  22           HG       LEU  22  82.398   4.118  10.440
  157   HD11  LEU  22          HD11      LEU  22  82.942   1.663   8.818
  158   HD12  LEU  22          HD12      LEU  22  81.329   1.875   9.501
  159   HD13  LEU  22          HD13      LEU  22  82.737   1.849  10.558
  160   HD21  LEU  22          HD21      LEU  22  84.568   4.267   9.748
  161   HD22  LEU  22          HD22      LEU  22  83.856   4.916   8.274
  162   HD23  LEU  22          HD23      LEU  22  84.327   3.220   8.355
  163    H    PHE  23           HN       PHE  23  79.510   2.730   5.564
  164    HA   PHE  23           HA       PHE  23  79.056   5.438   4.454
  165    HB2  PHE  23           HB2      PHE  23  78.623   2.660   3.370
  166    HB3  PHE  23           HB1      PHE  23  77.884   4.076   2.629
  167    HD1  PHE  23           HD2      PHE  23  79.486   6.072   2.088
  168    HD2  PHE  23           HD1      PHE  23  80.815   2.043   2.761
  169    HE1  PHE  23           HE2      PHE  23  81.581   6.560   0.861
  170    HE2  PHE  23           HE1      PHE  23  82.916   2.537   1.542
  171    HZ   PHE  23           HZ       PHE  23  83.295   4.787   0.583
  172    H    GLU  24           HN       GLU  24  77.564   6.347   5.734
  173    HA   GLU  24           HA       GLU  24  75.129   4.853   6.464
  174    HB2  GLU  24           HB2      GLU  24  76.343   7.448   7.414
  175    HB3  GLU  24           HB1      GLU  24  74.717   6.936   7.872
  176    HG2  GLU  24           HG2      GLU  24  75.568   4.923   8.889
  177    HG3  GLU  24           HG1      GLU  24  77.196   5.252   8.294
  178    H    CYS  25           HN       CYS  25  73.471   4.993   5.129
  179    HA   CYS  25           HA       CYS  25  72.892   7.585   3.805
  180    HB2  CYS  25           HB2      CYS  25  71.721   5.913   2.103
  181    HB3  CYS  25           HB1      CYS  25  73.447   6.259   1.975
  182    HG   CYS  25           HG       CYS  25  73.421   3.718   2.049
  183    H    GLN  26           HN       GLN  26  70.948   8.398   4.239
  184    HA   GLN  26           HA       GLN  26  68.950   6.683   5.614
  185    HB2  GLN  26           HB2      GLN  26  69.395   9.684   5.670
  186    HB3  GLN  26           HB1      GLN  26  68.011   8.874   6.404
  187    HG2  GLN  26           HG2      GLN  26  69.451   7.630   7.895
  188    HG3  GLN  26           HG1      GLN  26  70.893   8.234   7.084
  189   HE21  GLN  26          HE21      GLN  26  71.852   9.616   8.590
  190   HE22  GLN  26          HE22      GLN  26  71.040  10.873   9.392
  191    H    LEU  27           HN       LEU  27  67.181   6.213   4.478
  192    HA   LEU  27           HA       LEU  27  66.368   8.019   2.279
  193    HB2  LEU  27           HB2      LEU  27  66.815   6.431   0.729
  194    HB3  LEU  27           HB1      LEU  27  67.533   5.446   1.991
  195    HG   LEU  27           HG       LEU  27  64.598   5.411   1.204
  196   HD11  LEU  27          HD11      LEU  27  66.125   4.515  -0.528
  197   HD12  LEU  27          HD12      LEU  27  65.132   3.244   0.185
  198   HD13  LEU  27          HD13      LEU  27  66.822   3.419   0.668
  199   HD21  LEU  27          HD21      LEU  27  65.442   3.055   2.635
  200   HD22  LEU  27          HD22      LEU  27  64.253   4.254   3.120
  201   HD23  LEU  27          HD23      LEU  27  65.941   4.458   3.579
  202    H    SER  28           HN       SER  28  64.169   8.138   1.856
  203    HA   SER  28           HA       SER  28  62.461   7.285   4.095
  204    HB2  SER  28           HB2      SER  28  61.780   9.151   1.812
  205    HB3  SER  28           HB1      SER  28  60.917   8.959   3.337
  206    HG   SER  28           HG       SER  28  62.223  10.720   3.583
  207    H    GLN  29           HN       GLN  29  62.206   5.119   3.554
  208    HA   GLN  29           HA       GLN  29  60.101   4.439   1.780
  209    HB2  GLN  29           HB2      GLN  29  61.969   4.835   0.160
  210    HB3  GLN  29           HB1      GLN  29  62.893   3.581   0.966
  211    HG2  GLN  29           HG2      GLN  29  61.738   2.800  -1.097
  212    HG3  GLN  29           HG1      GLN  29  61.267   1.901   0.343
  213   HE21  GLN  29          HE21      GLN  29  59.098   2.375   1.254
  214   HE22  GLN  29          HE22      GLN  29  57.906   3.090   0.280
  215    HA   PRO  30           HA       PRO  30  60.935   1.503   5.234
  216    HB2  PRO  30           HB2      PRO  30  58.165   0.655   5.189
  217    HB3  PRO  30           HB1      PRO  30  58.998   1.617   6.417
  218    HG2  PRO  30           HG2      PRO  30  57.039   2.526   4.610
  219    HG3  PRO  30           HG1      PRO  30  58.050   3.519   5.670
  220    HD2  PRO  30           HD2      PRO  30  58.255   3.135   2.754
  221    HD3  PRO  30           HD1      PRO  30  58.980   4.391   3.777
  222    H    GLU  31           HN       GLU  31  59.497   0.956   2.136
  223    HA   GLU  31           HA       GLU  31  60.658  -1.731   2.070
  224    HB2  GLU  31           HB2      GLU  31  58.327  -2.035   2.892
  225    HB3  GLU  31           HB1      GLU  31  57.737  -1.239   1.433
  226    HG2  GLU  31           HG2      GLU  31  58.799  -2.976   0.045
  227    HG3  GLU  31           HG1      GLU  31  59.411  -3.767   1.498
  228    H    VAL  32           HN       VAL  32  61.496  -2.161   0.105
  229    HA   VAL  32           HA       VAL  32  60.647  -0.482  -2.187
  230    HB   VAL  32           HB       VAL  32  62.708   0.468  -1.542
  231   HG11  VAL  32          HG11      VAL  32  64.739  -1.052  -1.195
  232   HG12  VAL  32          HG12      VAL  32  63.590  -2.385  -1.091
  233   HG13  VAL  32          HG13      VAL  32  63.519  -1.069   0.077
  234   HG21  VAL  32          HG21      VAL  32  64.117   0.044  -3.415
  235   HG22  VAL  32          HG22      VAL  32  62.484  -0.310  -3.980
  236   HG23  VAL  32          HG23      VAL  32  63.572  -1.627  -3.544
  237    H    ALA  33           HN       ALA  33  59.964  -1.607  -3.816
  238    HA   ALA  33           HA       ALA  33  60.183  -4.467  -3.893
  239    HB1  ALA  33           HB1      ALA  33  59.005  -2.587  -5.945
  240    HB2  ALA  33           HB2      ALA  33  58.132  -3.221  -4.550
  241    HB3  ALA  33           HB3      ALA  33  58.704  -4.318  -5.807
  242    H    ALA  34           HN       ALA  34  62.406  -2.188  -4.792
  243    HA   ALA  34           HA       ALA  34  63.773  -4.069  -6.501
  244    HB1  ALA  34           HB1      ALA  34  63.941  -2.694  -8.463
  245    HB2  ALA  34           HB2      ALA  34  63.093  -1.362  -7.672
  246    HB3  ALA  34           HB3      ALA  34  62.226  -2.844  -8.082
  247    H    HIS  35           HN       HIS  35  65.751  -4.020  -5.684
  248    HA   HIS  35           HA       HIS  35  67.165  -1.489  -5.403
  249    HB2  HIS  35           HB2      HIS  35  67.866  -2.098  -3.044
  250    HB3  HIS  35           HB1      HIS  35  66.193  -1.570  -3.220
  251    HD1  HIS  35           HD1      HIS  35  64.333  -3.422  -3.111
  252    HD2  HIS  35           HD2      HIS  35  68.178  -4.800  -2.274
  253    HE1  HIS  35           HE1      HIS  35  64.058  -5.708  -2.065
  254    H    THR  36           HN       THR  36  69.210  -1.728  -6.025
  255    HA   THR  36           HA       THR  36  70.536  -4.361  -5.762
  256    HB   THR  36           HB       THR  36  71.579  -3.835  -8.048
  257    HG1  THR  36           HG1      THR  36  69.560  -1.920  -7.841
  258   HG21  THR  36          HG21      THR  36  68.692  -4.611  -7.639
  259   HG22  THR  36          HG22      THR  36  70.081  -5.662  -7.922
  260   HG23  THR  36          HG23      THR  36  69.447  -4.665  -9.232
  261    H    TRP  37           HN       TRP  37  72.549  -4.222  -4.971
  262    HA   TRP  37           HA       TRP  37  73.879  -1.561  -4.907
  263    HB2  TRP  37           HB2      TRP  37  72.904  -2.497  -2.712
  264    HB3  TRP  37           HB1      TRP  37  74.187  -3.693  -2.793
  265    HD1  TRP  37           HD1      TRP  37  76.606  -1.887  -3.759
  266    HE1  TRP  37           HE1      TRP  37  77.580  -0.101  -2.204
  267    HE3  TRP  37           HE3      TRP  37  72.647  -1.205  -0.587
  268    HZ2  TRP  37           HZ2      TRP  37  76.815   1.421   0.081
  269    HZ3  TRP  37           HZ3      TRP  37  72.807   0.430   1.262
  270    HH2  TRP  37           HH2      TRP  37  74.883   1.745   1.605
  271    H    LEU  38           HN       LEU  38  75.551  -1.601  -6.190
  272    HA   LEU  38           HA       LEU  38  77.418  -3.905  -6.122
  273    HB2  LEU  38           HB2      LEU  38  76.424  -2.552  -8.635
  274    HB3  LEU  38           HB1      LEU  38  77.755  -3.702  -8.572
  275    HG   LEU  38           HG       LEU  38  74.937  -4.323  -7.628
  276   HD11  LEU  38          HD11      LEU  38  75.268  -3.863 -10.151
  277   HD12  LEU  38          HD12      LEU  38  74.562  -5.418  -9.713
  278   HD13  LEU  38          HD13      LEU  38  76.264  -5.320 -10.161
  279   HD21  LEU  38          HD21      LEU  38  75.985  -6.727  -8.048
  280   HD22  LEU  38          HD22      LEU  38  76.331  -5.881  -6.545
  281   HD23  LEU  38          HD23      LEU  38  77.521  -5.883  -7.848
  282    H    LEU  39           HN       LEU  39  79.293  -3.189  -5.421
  283    HA   LEU  39           HA       LEU  39  80.154  -0.437  -6.095
  284    HB2  LEU  39           HB2      LEU  39  82.113  -1.366  -4.427
  285    HB3  LEU  39           HB1      LEU  39  80.664  -0.569  -3.855
  286    HG   LEU  39           HG       LEU  39  79.565  -2.749  -3.556
  287   HD11  LEU  39          HD11      LEU  39  82.295  -3.921  -4.207
  288   HD12  LEU  39          HD12      LEU  39  80.896  -4.008  -5.280
  289   HD13  LEU  39          HD13      LEU  39  80.861  -4.817  -3.716
  290   HD21  LEU  39          HD21      LEU  39  82.268  -2.684  -2.203
  291   HD22  LEU  39          HD22      LEU  39  80.769  -3.352  -1.570
  292   HD23  LEU  39          HD23      LEU  39  80.938  -1.611  -1.767
  293    H    ASP  40           HN       ASP  40  82.671  -2.653  -5.412
  294    HA   ASP  40           HA       ASP  40  83.787  -2.434  -7.974
  295    HB2  ASP  40           HB2      ASP  40  85.083  -3.171  -5.959
  296    HB3  ASP  40           HB1      ASP  40  84.173  -4.681  -5.957
  297    H    ASP  41           HN       ASP  41  83.899  -4.320  -9.482
  298    HA   ASP  41           HA       ASP  41  81.306  -5.089 -10.212
  299    HB2  ASP  41           HB2      ASP  41  84.015  -5.997 -11.176
  300    HB3  ASP  41           HB1      ASP  41  82.503  -6.537 -11.905
  301    H    GLU  42           HN       GLU  42  81.784  -6.023  -7.532
  302    HA   GLU  42           HA       GLU  42  81.328  -8.912  -8.008
  303    HB2  GLU  42           HB2      GLU  42  83.105  -7.683  -5.891
  304    HB3  GLU  42           HB1      GLU  42  82.440  -9.309  -5.727
  305    HG2  GLU  42           HG2      GLU  42  83.577 -10.078  -7.679
  306    HG3  GLU  42           HG1      GLU  42  83.973  -8.437  -8.186
  307    HA   PRO  43           HA       PRO  43  77.560  -7.996  -5.841
  308    HB2  PRO  43           HB2      PRO  43  77.526 -10.501  -4.357
  309    HB3  PRO  43           HB1      PRO  43  76.550 -10.056  -5.764
  310    HG2  PRO  43           HG2      PRO  43  78.868 -11.797  -5.632
  311    HG3  PRO  43           HG1      PRO  43  77.754 -11.532  -6.979
  312    HD2  PRO  43           HD2      PRO  43  80.422 -10.658  -6.867
  313    HD3  PRO  43           HD1      PRO  43  79.193 -10.071  -8.007
  314    H    VAL  44           HN       VAL  44  77.297  -6.828  -3.989
  315    HA   VAL  44           HA       VAL  44  79.486  -6.851  -2.094
  316    HB   VAL  44           HB       VAL  44  78.638  -4.766  -2.953
  317   HG11  VAL  44          HG11      VAL  44  76.454  -3.997  -2.714
  318   HG12  VAL  44          HG12      VAL  44  76.075  -5.118  -1.416
  319   HG13  VAL  44          HG13      VAL  44  76.205  -5.701  -3.076
  320   HG21  VAL  44          HG21      VAL  44  79.545  -5.028  -0.592
  321   HG22  VAL  44          HG22      VAL  44  77.879  -4.976  -0.049
  322   HG23  VAL  44          HG23      VAL  44  78.562  -3.596  -0.887
  323    H    ARG  45           HN       ARG  45  79.155  -8.875  -1.161
  324    HA   ARG  45           HA       ARG  45  77.521  -8.716   1.232
  325    HB2  ARG  45           HB2      ARG  45  77.236 -11.000  -0.743
  326    HB3  ARG  45           HB1      ARG  45  76.705 -11.079   0.938
  327    HG2  ARG  45           HG2      ARG  45  75.356  -8.956   0.477
  328    HG3  ARG  45           HG1      ARG  45  75.694  -9.231  -1.233
  329    HD2  ARG  45           HD2      ARG  45  74.390 -11.245   0.605
  330    HD3  ARG  45           HD1      ARG  45  73.511 -10.180  -0.485
  331    HE   ARG  45           HE       ARG  45  75.140 -12.492  -1.249
  332   HH11  ARG  45          HH11      ARG  45  75.611 -10.061  -3.072
  333   HH12  ARG  45          HH12      ARG  45  74.470 -10.365  -4.339
  334   HH21  ARG  45          HH21      ARG  45  72.677 -12.724  -2.516
  335   HH22  ARG  45          HH22      ARG  45  72.796 -11.872  -4.019
  336    H    THR  46           HN       THR  46  79.014 -11.528  -0.226
  337    HA   THR  46           HA       THR  46  80.856 -12.768   0.362
  338    HB   THR  46           HB       THR  46  82.861 -11.580   0.486
  339    HG1  THR  46           HG1      THR  46  81.651  -9.272   1.512
  340   HG21  THR  46          HG21      THR  46  81.116  -9.330  -0.480
  341   HG22  THR  46          HG22      THR  46  81.223 -10.835  -1.395
  342   HG23  THR  46          HG23      THR  46  82.670  -9.873  -1.102
  343    H    SER  47           HN       SER  47  82.549 -11.418   2.775
  344    HA   SER  47           HA       SER  47  80.877 -12.527   4.967
  345    HB2  SER  47           HB2      SER  47  82.587 -14.176   4.064
  346    HB3  SER  47           HB1      SER  47  83.825 -13.096   4.700
  347    HG   SER  47           HG       SER  47  81.917 -13.485   6.543
  348    H    GLU  48           HN       GLU  48  83.326 -12.340   6.732
  349    HA   GLU  48           HA       GLU  48  82.786  -9.891   7.944
  350    HB2  GLU  48           HB2      GLU  48  85.309 -11.563   8.034
  351    HB3  GLU  48           HB1      GLU  48  84.999 -10.189   9.097
  352    HG2  GLU  48           HG2      GLU  48  83.160 -12.587   8.857
  353    HG3  GLU  48           HG1      GLU  48  84.391 -12.421  10.104
  354    H    ASN  49           HN       ASN  49  85.295 -10.707   5.583
  355    HA   ASN  49           HA       ASN  49  86.598  -8.203   5.584
  356    HB2  ASN  49           HB2      ASN  49  87.660  -8.900   3.539
  357    HB3  ASN  49           HB1      ASN  49  87.535 -10.298   4.602
  358   HD21  ASN  49          HD21      ASN  49  87.745 -11.519   2.444
  359   HD22  ASN  49          HD22      ASN  49  86.332 -11.772   1.538
  360    H    ALA  50           HN       ALA  50  83.459  -8.648   4.872
  361    HA   ALA  50           HA       ALA  50  82.897  -6.149   3.865
  362    HB1  ALA  50           HB1      ALA  50  82.366  -6.916   1.391
  363    HB2  ALA  50           HB2      ALA  50  83.624  -8.113   1.710
  364    HB3  ALA  50           HB3      ALA  50  83.994  -6.391   1.815
  365    H    GLU  51           HN       GLU  51  80.665  -5.868   3.947
  366    HA   GLU  51           HA       GLU  51  78.717  -7.679   3.095
  367    HB2  GLU  51           HB2      GLU  51  79.499  -9.180   4.906
  368    HB3  GLU  51           HB1      GLU  51  79.197  -7.907   6.084
  369    HG2  GLU  51           HG2      GLU  51  76.794  -7.920   5.476
  370    HG3  GLU  51           HG1      GLU  51  77.107  -9.180   4.285
  371    H    VAL  52           HN       VAL  52  76.557  -6.797   3.325
  372    HA   VAL  52           HA       VAL  52  76.512  -4.098   4.517
  373    HB   VAL  52           HB       VAL  52  74.343  -5.360   2.835
  374   HG11  VAL  52          HG11      VAL  52  74.066  -2.971   2.130
  375   HG12  VAL  52          HG12      VAL  52  75.324  -2.526   3.282
  376   HG13  VAL  52          HG13      VAL  52  73.810  -3.225   3.856
  377   HG21  VAL  52          HG21      VAL  52  76.344  -5.735   1.545
  378   HG22  VAL  52          HG22      VAL  52  76.923  -4.106   1.885
  379   HG23  VAL  52          HG23      VAL  52  75.514  -4.340   0.855
  380    H    VAL  53           HN       VAL  53  74.527  -3.492   5.739
  381    HA   VAL  53           HA       VAL  53  73.053  -5.757   6.931
  382    HB   VAL  53           HB       VAL  53  73.255  -4.597   9.188
  383   HG11  VAL  53          HG11      VAL  53  75.471  -5.605   9.651
  384   HG12  VAL  53          HG12      VAL  53  75.741  -5.776   7.915
  385   HG13  VAL  53          HG13      VAL  53  74.442  -6.675   8.702
  386   HG21  VAL  53          HG21      VAL  53  75.618  -3.284   7.816
  387   HG22  VAL  53          HG22      VAL  53  75.174  -3.130   9.514
  388   HG23  VAL  53          HG23      VAL  53  74.130  -2.450   8.266
  389    H    PHE  54           HN       PHE  54  71.040  -5.241   7.755
  390    HA   PHE  54           HA       PHE  54  69.907  -2.666   6.804
  391    HB2  PHE  54           HB2      PHE  54  68.911  -5.472   6.885
  392    HB3  PHE  54           HB1      PHE  54  67.716  -4.223   7.215
  393    HD1  PHE  54           HD1      PHE  54  70.400  -5.154   4.766
  394    HD2  PHE  54           HD2      PHE  54  66.691  -3.089   5.450
  395    HE1  PHE  54           HE1      PHE  54  70.212  -4.689   2.336
  396    HE2  PHE  54           HE2      PHE  54  66.508  -2.619   3.020
  397    HZ   PHE  54           HZ       PHE  54  68.268  -3.419   1.464
  398    H    PHE  55           HN       PHE  55  68.570  -1.479   8.079
  399    HA   PHE  55           HA       PHE  55  68.108  -2.311  10.864
  400    HB2  PHE  55           HB2      PHE  55  69.462   0.254  10.006
  401    HB3  PHE  55           HB1      PHE  55  68.767   0.003  11.605
  402    HD1  PHE  55           HD2      PHE  55  69.487  -2.250  12.798
  403    HD2  PHE  55           HD1      PHE  55  71.713  -0.306   9.681
  404    HE1  PHE  55           HE2      PHE  55  71.538  -3.436  13.525
  405    HE2  PHE  55           HE1      PHE  55  73.765  -1.493  10.408
  406    HZ   PHE  55           HZ       PHE  55  73.679  -3.056  12.331
  407    H    GLU  56           HN       GLU  56  66.292  -1.354  11.799
  408    HA   GLU  56           HA       GLU  56  64.133  -0.568  11.735
  409    HB2  GLU  56           HB2      GLU  56  65.766   1.565  10.399
  410    HB3  GLU  56           HB1      GLU  56  64.035   1.786  10.670
  411    HG2  GLU  56           HG2      GLU  56  64.341   1.452  13.067
  412    HG3  GLU  56           HG1      GLU  56  66.045   1.077  12.831
  413    H    ASN  57           HN       ASN  57  64.750  -2.448   9.683
  414    HA   ASN  57           HA       ASN  57  63.757  -3.397   7.856
  415    HB2  ASN  57           HB2      ASN  57  61.674  -1.227   8.125
  416    HB3  ASN  57           HB1      ASN  57  61.488  -2.807   7.369
  417   HD21  ASN  57          HD21      ASN  57  63.082  -4.164   9.528
  418   HD22  ASN  57          HD22      ASN  57  62.046  -4.227  10.870
  419    H    GLY  58           HN       GLY  58  65.811  -1.497   7.272
  420    HA2  GLY  58           HA2      GLY  58  66.694  -0.862   5.177
  421    HA3  GLY  58           HA1      GLY  58  65.075  -0.927   4.496
  422    H    LEU  59           HN       LEU  59  64.911   0.824   7.320
  423    HA   LEU  59           HA       LEU  59  64.472   3.280   5.964
  424    HB2  LEU  59           HB2      LEU  59  63.687   2.435   8.335
  425    HB3  LEU  59           HB1      LEU  59  65.207   3.139   8.871
  426    HG   LEU  59           HG       LEU  59  64.413   5.242   7.479
  427   HD11  LEU  59          HD11      LEU  59  61.717   4.118   8.254
  428   HD12  LEU  59          HD12      LEU  59  62.383   3.882   6.643
  429   HD13  LEU  59          HD13      LEU  59  62.071   5.510   7.235
  430   HD21  LEU  59          HD21      LEU  59  64.741   5.257   9.909
  431   HD22  LEU  59          HD22      LEU  59  63.176   4.479  10.147
  432   HD23  LEU  59          HD23      LEU  59  63.259   6.116   9.496
  433    H    ARG  60           HN       ARG  60  67.195   1.680   7.294
  434    HA   ARG  60           HA       ARG  60  69.007   3.800   6.341
  435    HB2  ARG  60           HB2      ARG  60  69.131   2.491   9.072
  436    HB3  ARG  60           HB1      ARG  60  70.440   3.434   8.366
  437    HG2  ARG  60           HG2      ARG  60  68.987   5.398   8.238
  438    HG3  ARG  60           HG1      ARG  60  67.638   4.467   8.887
  439    HD2  ARG  60           HD2      ARG  60  68.668   5.737  10.698
  440    HD3  ARG  60           HD1      ARG  60  68.986   4.021  10.939
  441    HE   ARG  60           HE       ARG  60  71.082   5.277   9.449
  442   HH11  ARG  60          HH11      ARG  60  70.662   3.463  12.142
  443   HH12  ARG  60          HH12      ARG  60  71.765   4.322  13.164
  444   HH21  ARG  60          HH21      ARG  60  72.127   6.987  10.982
  445   HH22  ARG  60          HH22      ARG  60  72.589   6.316  12.510
  446    H    HIS  61           HN       HIS  61  71.055   2.996   5.684
  447    HA   HIS  61           HA       HIS  61  71.415   0.061   5.758
  448    HB2  HIS  61           HB2      HIS  61  71.740   1.728   3.251
  449    HB3  HIS  61           HB1      HIS  61  72.072   0.006   3.420
  450    HD1  HIS  61           HD1      HIS  61  69.321   2.416   2.859
  451    HD2  HIS  61           HD2      HIS  61  69.702  -1.619   3.831
  452    HE1  HIS  61           HE1      HIS  61  67.055   1.361   2.443
  453    H    LEU  62           HN       LEU  62  73.352  -0.399   6.537
  454    HA   LEU  62           HA       LEU  62  75.556   1.582   6.219
  455    HB2  LEU  62           HB2      LEU  62  74.707  -0.127   8.537
  456    HB3  LEU  62           HB1      LEU  62  76.421   0.228   8.352
  457    HG   LEU  62           HG       LEU  62  75.942   2.643   8.362
  458   HD11  LEU  62          HD11      LEU  62  73.500   3.224   9.124
  459   HD12  LEU  62          HD12      LEU  62  73.093   1.663   8.411
  460   HD13  LEU  62          HD13      LEU  62  73.821   2.926   7.418
  461   HD21  LEU  62          HD21      LEU  62  76.377   1.674  10.526
  462   HD22  LEU  62          HD22      LEU  62  74.736   1.037  10.636
  463   HD23  LEU  62          HD23      LEU  62  75.013   2.776  10.727
  464    H    LEU  63           HN       LEU  63  77.280   0.931   5.106
  465    HA   LEU  63           HA       LEU  63  77.684  -1.974   4.580
  466    HB2  LEU  63           HB2      LEU  63  77.190  -0.465   2.609
  467    HB3  LEU  63           HB1      LEU  63  78.691   0.379   2.957
  468    HG   LEU  63           HG       LEU  63  78.556  -2.607   2.477
  469   HD11  LEU  63          HD11      LEU  63  77.823  -1.752   0.413
  470   HD12  LEU  63          HD12      LEU  63  79.570  -1.867   0.188
  471   HD13  LEU  63          HD13      LEU  63  78.832  -0.310   0.544
  472   HD21  LEU  63          HD21      LEU  63  81.047  -1.954   1.748
  473   HD22  LEU  63          HD22      LEU  63  80.649  -2.269   3.428
  474   HD23  LEU  63          HD23      LEU  63  80.770  -0.607   2.854
  475    H    LEU  64           HN       LEU  64  79.324  -2.760   5.906
  476    HA   LEU  64           HA       LEU  64  81.495  -0.924   6.630
  477    HB2  LEU  64           HB2      LEU  64  80.160  -2.007   8.423
  478    HB3  LEU  64           HB1      LEU  64  80.674  -3.578   7.820
  479    HG   LEU  64           HG       LEU  64  83.050  -2.915   8.216
  480   HD11  LEU  64          HD11      LEU  64  83.180  -0.881   9.913
  481   HD12  LEU  64          HD12      LEU  64  81.697  -0.382   9.102
  482   HD13  LEU  64          HD13      LEU  64  83.185  -0.587   8.177
  483   HD21  LEU  64          HD21      LEU  64  81.233  -2.666  10.636
  484   HD22  LEU  64          HD22      LEU  64  82.935  -3.130  10.663
  485   HD23  LEU  64          HD23      LEU  64  81.744  -4.185   9.901
  486    H    LEU  65           HN       LEU  65  83.500  -1.222   5.941
  487    HA   LEU  65           HA       LEU  65  84.207  -3.737   4.536
  488    HB2  LEU  65           HB2      LEU  65  85.399  -0.962   4.240
  489    HB3  LEU  65           HB1      LEU  65  85.993  -2.409   3.429
  490    HG   LEU  65           HG       LEU  65  83.228  -1.193   3.097
  491   HD11  LEU  65          HD11      LEU  65  84.019  -0.728   0.793
  492   HD12  LEU  65          HD12      LEU  65  85.605  -1.370   1.219
  493   HD13  LEU  65          HD13      LEU  65  85.010   0.099   1.995
  494   HD21  LEU  65          HD21      LEU  65  82.822  -3.457   2.698
  495   HD22  LEU  65          HD22      LEU  65  84.471  -3.770   2.156
  496   HD23  LEU  65          HD23      LEU  65  83.332  -2.945   1.093
  497    H    LYS  66           HN       LYS  66  86.729  -4.083   4.703
  498    HA   LYS  66           HA       LYS  66  87.827  -3.303   7.278
  499    HB2  LYS  66           HB2      LYS  66  87.095  -6.166   6.650
  500    HB3  LYS  66           HB1      LYS  66  88.322  -5.741   7.844
  501    HG2  LYS  66           HG2      LYS  66  86.642  -4.358   9.050
  502    HG3  LYS  66           HG1      LYS  66  85.417  -4.856   7.882
  503    HD2  LYS  66           HD2      LYS  66  85.776  -7.220   8.514
  504    HD3  LYS  66           HD1      LYS  66  86.984  -6.711   9.694
  505    HE2  LYS  66           HE2      LYS  66  84.145  -5.671   9.742
  506    HE3  LYS  66           HE1      LYS  66  84.635  -7.122  10.616
  507    HZ1  LYS  66           HZ1      LYS  66  85.268  -4.334  11.145
  508    HZ2  LYS  66           HZ2      LYS  66  86.544  -5.435  11.365
  509    HZ3  LYS  66           HZ3      LYS  66  85.089  -5.632  12.223
  510    H    ASN  67           HN       ASN  67  90.063  -4.116   7.538
  511    HA   ASN  67           HA       ASN  67  92.222  -3.906   6.634
  512    HB2  ASN  67           HB2      ASN  67  91.015  -6.364   5.365
  513    HB3  ASN  67           HB1      ASN  67  92.724  -5.961   5.230
  514   HD21  ASN  67          HD21      ASN  67  91.883  -8.348   6.570
  515   HD22  ASN  67          HD22      ASN  67  92.234  -8.183   8.224
  516    H    LEU  68           HN       LEU  68  90.867  -1.983   5.348
  517    HA   LEU  68           HA       LEU  68  90.530  -2.265   2.583
  518    HB2  LEU  68           HB2      LEU  68  91.191   0.205   4.180
  519    HB3  LEU  68           HB1      LEU  68  90.678   0.209   2.497
  520    HG   LEU  68           HG       LEU  68  89.058  -1.023   4.733
  521   HD11  LEU  68          HD11      LEU  68  87.652   1.029   4.508
  522   HD12  LEU  68          HD12      LEU  68  88.875   1.715   3.441
  523   HD13  LEU  68          HD13      LEU  68  89.268   1.371   5.127
  524   HD21  LEU  68          HD21      LEU  68  87.248  -0.523   2.854
  525   HD22  LEU  68          HD22      LEU  68  88.233  -1.977   2.760
  526   HD23  LEU  68          HD23      LEU  68  88.643  -0.573   1.778
  527    H    ARG  69           HN       ARG  69  91.992  -2.883   1.193
  528    HA   ARG  69           HA       ARG  69  94.800  -2.071   1.474
  529    HB2  ARG  69           HB2      ARG  69  93.294  -4.093  -0.179
  530    HB3  ARG  69           HB1      ARG  69  94.900  -3.586  -0.693
  531    HG2  ARG  69           HG2      ARG  69  95.778  -4.201   1.553
  532    HG3  ARG  69           HG1      ARG  69  94.175  -4.785   1.991
  533    HD2  ARG  69           HD2      ARG  69  96.123  -5.923   0.009
  534    HD3  ARG  69           HD1      ARG  69  95.235  -6.746   1.289
  535    HE   ARG  69           HE       ARG  69  93.713  -5.630  -0.976
  536   HH11  ARG  69          HH21      ARG  69  92.453  -7.557   0.927
  537   HH12  ARG  69          HH22      ARG  69  92.553  -9.060   0.073
  538   HH21  ARG  69          HH11      ARG  69  94.929  -7.928  -2.186
  539   HH22  ARG  69          HH12      ARG  69  93.941  -9.266  -1.701
  540    HA   PRO  70           HA       PRO  70  94.564   1.261  -1.435
  541    HB2  PRO  70           HB2      PRO  70  96.548   0.267  -3.304
  542    HB3  PRO  70           HB1      PRO  70  96.759   1.517  -2.068
  543    HG2  PRO  70           HG2      PRO  70  97.581  -1.294  -2.014
  544    HG3  PRO  70           HG1      PRO  70  98.117   0.050  -0.995
  545    HD2  PRO  70           HD2      PRO  70  96.506  -2.018  -0.109
  546    HD3  PRO  70           HD1      PRO  70  96.551  -0.408   0.643
  547    H    GLN  71           HN       GLN  71  94.788  -2.021  -2.540
  548    HA   GLN  71           HA       GLN  71  93.706  -1.873  -5.101
  549    HB2  GLN  71           HB2      GLN  71  94.686  -3.921  -4.135
  550    HB3  GLN  71           HB1      GLN  71  93.330  -4.043  -3.014
  551    HG2  GLN  71           HG2      GLN  71  91.760  -4.273  -4.904
  552    HG3  GLN  71           HG1      GLN  71  93.093  -4.083  -6.043
  553   HE21  GLN  71          HE21      GLN  71  91.255  -6.455  -5.570
  554   HE22  GLN  71          HE22      GLN  71  92.304  -7.753  -5.259
  555    H    ASP  72           HN       ASP  72  91.948  -2.643  -2.044
  556    HA   ASP  72           HA       ASP  72  89.418  -2.793  -2.971
  557    HB2  ASP  72           HB2      ASP  72  90.458  -1.647  -0.389
  558    HB3  ASP  72           HB1      ASP  72  88.739  -1.909  -0.687
  559    H    SER  73           HN       SER  73  91.077   0.357  -2.193
  560    HA   SER  73           HA       SER  73  88.896   2.008  -2.351
  561    HB2  SER  73           HB2      SER  73  90.980   3.010  -1.864
  562    HB3  SER  73           HB1      SER  73  91.731   2.359  -3.316
  563    HG   SER  73           HG       SER  73  89.671   4.311  -3.163
  564    H    CYS  74           HN       CYS  74  87.436   2.446  -3.841
  565    HA   CYS  74           HA       CYS  74  88.008   2.607  -6.635
  566    HB2  CYS  74           HB2      CYS  74  87.944   0.074  -6.075
  567    HB3  CYS  74           HB1      CYS  74  86.200   0.300  -5.955
  568    HG   CYS  74           HG       CYS  74  86.054   0.720  -8.434
  569    H    ARG  75           HN       ARG  75  85.346   1.790  -7.480
  570    HA   ARG  75           HA       ARG  75  83.884   4.170  -6.594
  571    HB2  ARG  75           HB2      ARG  75  84.161   3.773  -9.012
  572    HB3  ARG  75           HB1      ARG  75  83.318   2.232  -8.852
  573    HG2  ARG  75           HG2      ARG  75  81.314   3.445  -7.997
  574    HG3  ARG  75           HG1      ARG  75  82.161   4.970  -8.237
  575    HD2  ARG  75           HD2      ARG  75  81.590   2.952 -10.415
  576    HD3  ARG  75           HD1      ARG  75  80.618   4.390 -10.101
  577    HE   ARG  75           HE       ARG  75  83.212   4.305 -11.391
  578   HH11  ARG  75          HH11      ARG  75  83.185   6.298  -9.025
  579   HH12  ARG  75          HH12      ARG  75  82.791   7.769  -9.849
  580   HH21  ARG  75          HH21      ARG  75  81.693   6.171 -12.727
  581   HH22  ARG  75          HH22      ARG  75  81.928   7.696 -11.943
  582    H    VAL  76           HN       VAL  76  81.941   4.138  -5.615
  583    HA   VAL  76           HA       VAL  76  80.775   1.506  -4.884
  584    HB   VAL  76           HB       VAL  76  80.976   4.058  -3.260
  585   HG11  VAL  76          HG11      VAL  76  78.756   3.205  -2.906
  586   HG12  VAL  76          HG12      VAL  76  79.721   2.685  -1.528
  587   HG13  VAL  76          HG13      VAL  76  79.345   1.545  -2.819
  588   HG21  VAL  76          HG21      VAL  76  82.963   2.663  -3.131
  589   HG22  VAL  76          HG22      VAL  76  81.982   1.224  -2.860
  590   HG23  VAL  76          HG23      VAL  76  82.056   2.483  -1.629
  591    H    THR  77           HN       THR  77  78.737   1.230  -5.635
  592    HA   THR  77           HA       THR  77  77.123   3.644  -6.267
  593    HB   THR  77           HB       THR  77  77.380   1.169  -7.988
  594    HG1  THR  77           HG1      THR  77  78.304   3.832  -8.224
  595   HG21  THR  77          HG21      THR  77  75.987   2.589  -9.567
  596   HG22  THR  77          HG22      THR  77  75.697   3.677  -8.210
  597   HG23  THR  77          HG23      THR  77  75.133   2.009  -8.136
  598    H    PHE  78           HN       PHE  78  75.127   3.630  -5.549
  599    HA   PHE  78           HA       PHE  78  73.846   1.068  -4.775
  600    HB2  PHE  78           HB2      PHE  78  74.506   2.117  -2.711
  601    HB3  PHE  78           HB1      PHE  78  73.928   3.689  -3.258
  602    HD1  PHE  78           HD2      PHE  78  72.679   0.184  -2.760
  603    HD2  PHE  78           HD1      PHE  78  71.794   4.384  -2.574
  604    HE1  PHE  78           HE2      PHE  78  70.440  -0.329  -1.822
  605    HE2  PHE  78           HE1      PHE  78  69.552   3.870  -1.639
  606    HZ   PHE  78           HZ       PHE  78  68.878   1.514  -1.261
  607    H    LEU  79           HN       LEU  79  72.107   0.787  -6.042
  608    HA   LEU  79           HA       LEU  79  70.606   3.189  -6.954
  609    HB2  LEU  79           HB2      LEU  79  71.767   2.237  -8.828
  610    HB3  LEU  79           HB1      LEU  79  71.228   0.616  -8.407
  611    HG   LEU  79           HG       LEU  79  68.910   1.193  -8.935
  612   HD11  LEU  79          HD11      LEU  79  70.063   3.961  -9.195
  613   HD12  LEU  79          HD12      LEU  79  68.688   3.431  -8.225
  614   HD13  LEU  79          HD13      LEU  79  68.547   3.522  -9.979
  615   HD21  LEU  79          HD21      LEU  79  70.806   2.218 -11.073
  616   HD22  LEU  79          HD22      LEU  79  69.157   1.653 -11.341
  617   HD23  LEU  79          HD23      LEU  79  70.401   0.524 -10.802
  618    H    ALA  80           HN       ALA  80  68.950   3.183  -5.487
  619    HA   ALA  80           HA       ALA  80  67.136   0.833  -5.567
  620    HB1  ALA  80           HB1      ALA  80  66.409   1.546  -3.256
  621    HB2  ALA  80           HB2      ALA  80  67.806   2.625  -3.225
  622    HB3  ALA  80           HB3      ALA  80  68.039   0.881  -3.347
  623    H    GLY  81           HN       GLY  81  65.203   1.290  -6.385
  624    HA2  GLY  81           HA2      GLY  81  63.518   2.539  -7.366
  625    HA3  GLY  81           HA1      GLY  81  63.519   3.377  -5.817
  626    H    ASP  82           HN       ASP  82  62.778   5.074  -7.509
  627    HA   ASP  82           HA       ASP  82  64.358   6.256  -9.393
  628    HB2  ASP  82           HB2      ASP  82  62.314   7.431  -7.514
  629    HB3  ASP  82           HB1      ASP  82  63.053   8.369  -8.814
  630    H    MET  83           HN       MET  83  65.789   5.828  -6.555
  631    HA   MET  83           HA       MET  83  67.132   8.482  -6.634
  632    HB2  MET  83           HB2      MET  83  67.656   8.190  -4.235
  633    HB3  MET  83           HB1      MET  83  65.936   8.376  -4.546
  634    HG2  MET  83           HG2      MET  83  65.611   5.956  -4.345
  635    HG3  MET  83           HG1      MET  83  67.343   5.719  -4.131
  636    HE1  MET  83           HE1      MET  83  64.421   7.949  -2.832
  637    HE2  MET  83           HE2      MET  83  64.275   7.357  -1.180
  638    HE3  MET  83           HE3      MET  83  64.010   6.256  -2.530
  639    H    VAL  84           HN       VAL  84  69.252   8.479  -6.998
  640    HA   VAL  84           HA       VAL  84  70.742   5.937  -6.667
  641    HB   VAL  84           HB       VAL  84  70.378   6.221  -9.020
  642   HG11  VAL  84          HG11      VAL  84  70.762   8.257 -10.221
  643   HG12  VAL  84          HG12      VAL  84  71.488   9.023  -8.811
  644   HG13  VAL  84          HG13      VAL  84  69.760   8.672  -8.832
  645   HG21  VAL  84          HG21      VAL  84  72.745   5.739  -8.146
  646   HG22  VAL  84          HG22      VAL  84  73.109   7.418  -8.542
  647   HG23  VAL  84          HG23      VAL  84  72.616   6.300  -9.815
  648    H    THR  85           HN       THR  85  72.390   6.122  -5.320
  649    HA   THR  85           HA       THR  85  73.689   8.764  -4.900
  650    HB   THR  85           HB       THR  85  73.599   8.494  -2.592
  651    HG1  THR  85           HG1      THR  85  73.328   6.230  -1.781
  652   HG21  THR  85          HG21      THR  85  71.450   7.560  -1.915
  653   HG22  THR  85          HG22      THR  85  71.336   6.639  -3.410
  654   HG23  THR  85          HG23      THR  85  71.242   8.401  -3.452
  655    H    SER  86           HN       SER  86  75.871   8.758  -5.265
  656    HA   SER  86           HA       SER  86  77.399   6.270  -4.866
  657    HB2  SER  86           HB2      SER  86  76.805   6.223  -7.235
  658    HB3  SER  86           HB1      SER  86  77.452   7.847  -7.444
  659    HG   SER  86           HG       SER  86  79.203   6.168  -6.204
  660    H    ALA  87           HN       ALA  87  79.437   6.579  -4.122
  661    HA   ALA  87           HA       ALA  87  80.638   9.274  -4.247
  662    HB1  ALA  87           HB1      ALA  87  81.096   9.306  -1.892
  663    HB2  ALA  87           HB2      ALA  87  80.480   7.667  -1.690
  664    HB3  ALA  87           HB3      ALA  87  79.372   8.983  -2.078
  665    H    PHE  88           HN       PHE  88  82.922   9.302  -3.975
  666    HA   PHE  88           HA       PHE  88  84.234   6.897  -4.901
  667    HB2  PHE  88           HB2      PHE  88  85.572   9.472  -4.065
  668    HB3  PHE  88           HB1      PHE  88  86.152   8.262  -5.209
  669    HD1  PHE  88           HD2      PHE  88  85.015   7.983  -7.428
  670    HD2  PHE  88           HD1      PHE  88  84.007  11.150  -4.707
  671    HE1  PHE  88           HE2      PHE  88  83.876   9.201  -9.266
  672    HE2  PHE  88           HE1      PHE  88  82.870  12.366  -6.533
  673    HZ   PHE  88           HZ       PHE  88  82.803  11.395  -8.822
  674    H    LEU  89           HN       LEU  89  86.318   6.221  -3.889
  675    HA   LEU  89           HA       LEU  89  86.333   6.464  -0.941
  676    HB2  LEU  89           HB2      LEU  89  85.356   4.205  -2.009
  677    HB3  LEU  89           HB1      LEU  89  87.067   3.819  -2.173
  678    HG   LEU  89           HG       LEU  89  85.718   4.659   0.419
  679   HD11  LEU  89          HD11      LEU  89  86.259   2.230   1.038
  680   HD12  LEU  89          HD12      LEU  89  86.467   1.953  -0.694
  681   HD13  LEU  89          HD13      LEU  89  84.906   2.485  -0.067
  682   HD21  LEU  89          HD21      LEU  89  87.920   5.215   0.821
  683   HD22  LEU  89          HD22      LEU  89  88.550   4.067  -0.360
  684   HD23  LEU  89          HD23      LEU  89  88.001   3.504   1.218
  685    H    THR  90           HN       THR  90  88.379   6.623  -0.084
  686    HA   THR  90           HA       THR  90  90.697   6.392  -1.916
  687    HB   THR  90           HB       THR  90  90.094   8.701  -0.047
  688    HG1  THR  90           HG1      THR  90  89.034   9.098  -1.877
  689   HG21  THR  90          HG21      THR  90  92.534   7.948  -1.655
  690   HG22  THR  90          HG22      THR  90  92.435   8.353   0.059
  691   HG23  THR  90          HG23      THR  90  92.218   9.610  -1.159
  692    H    VAL  91           HN       VAL  91  92.199   5.066  -1.023
  693    HA   VAL  91           HA       VAL  91  92.475   5.058   1.939
  694    HB   VAL  91           HB       VAL  91  92.171   2.682   0.104
  695   HG11  VAL  91          HG11      VAL  91  94.043   2.061   1.425
  696   HG12  VAL  91          HG12      VAL  91  92.657   1.367   2.260
  697   HG13  VAL  91          HG13      VAL  91  93.390   2.849   2.863
  698   HG21  VAL  91          HG21      VAL  91  90.254   2.206   1.346
  699   HG22  VAL  91          HG22      VAL  91  90.236   3.965   1.397
  700   HG23  VAL  91          HG23      VAL  91  90.838   3.055   2.776
  701    H    ARG  92           HN       ARG  92  94.485   5.493   2.540
  702    HA   ARG  92           HA       ARG  92  96.635   5.579   0.666
  703    HB2  ARG  92           HB2      ARG  92  96.542   5.896   3.674
  704    HB3  ARG  92           HB1      ARG  92  97.996   6.145   2.709
  705    HG2  ARG  92           HG2      ARG  92  96.823   7.895   1.405
  706    HG3  ARG  92           HG1      ARG  92  95.380   7.651   2.389
  707    HD2  ARG  92           HD2      ARG  92  96.623   8.303   4.407
  708    HD3  ARG  92           HD1      ARG  92  98.090   8.507   3.455
  709    HE   ARG  92           HE       ARG  92  96.154  10.142   2.291
  710   HH11  ARG  92          HH21      ARG  92  97.918   9.796   5.247
  711   HH12  ARG  92          HH22      ARG  92  97.776  11.463   5.693
  712   HH21  ARG  92          HH11      ARG  92  95.887  12.320   2.908
  713   HH22  ARG  92          HH12      ARG  92  96.630  12.896   4.362
  714    H    GLY  93           HN       GLY  93  98.698   4.486   0.917
  715    HA2  GLY  93           HA2      GLY  93  98.456   1.726   1.998
  716    HA3  GLY  93           HA1      GLY  93  99.260   2.099   0.476
  717    H    GLY  94           HN       GLY  94 101.211   1.162   1.253
  718    HA2  GLY  94           HA2      GLY  94 102.523   2.322   3.585
  719    HA3  GLY  94           HA1      GLY  94 103.147   1.034   2.561
  720    H    LEU  95           HN       LEU  95 103.164   4.415   3.199
  721    HA   LEU  95           HA       LEU  95 104.624   5.021   0.702
  722    HB2  LEU  95           HB2      LEU  95 103.488   6.799   2.873
  723    HB3  LEU  95           HB1      LEU  95 104.387   7.389   1.480
  724    HG   LEU  95           HG       LEU  95 101.898   5.678   1.219
  725   HD11  LEU  95          HD11      LEU  95 101.446   7.836   2.436
  726   HD12  LEU  95          HD12      LEU  95 100.622   7.711   0.883
  727   HD13  LEU  95          HD13      LEU  95 102.074   8.699   1.031
  728   HD21  LEU  95          HD21      LEU  95 101.910   6.968  -1.054
  729   HD22  LEU  95          HD22      LEU  95 103.054   5.650  -0.847
  730   HD23  LEU  95          HD23      LEU  95 103.595   7.318  -0.678
  731    H    GLU  96           HN       GLU  96 105.014   4.813   4.196
  732    HA   GLU  96           HA       GLU  96 107.757   5.852   4.048
  733    HB2  GLU  96           HB2      GLU  96 106.023   4.947   6.360
  734    HB3  GLU  96           HB1      GLU  96 107.718   5.388   6.546
  735    HG2  GLU  96           HG2      GLU  96 105.601   7.206   5.359
  736    HG3  GLU  96           HG1      GLU  96 106.145   7.275   7.033
  737    H    HIS  97           HN       HIS  97 109.329   4.518   3.475
  738    HA   HIS  97           HA       HIS  97 108.990   1.652   3.546
  739    HB2  HIS  97           HB2      HIS  97 111.356   3.383   2.803
  740    HB3  HIS  97           HB1      HIS  97 111.311   1.629   2.636
  741    HD1  HIS  97           HD1      HIS  97 109.223   0.719   1.103
  742    HD2  HIS  97           HD2      HIS  97 110.314   4.713   0.606
  743    HE1  HIS  97           HE1      HIS  97 108.223   1.464  -1.099
  744    H    HIS  98           HN       HIS  98 110.337   0.175   4.651
  745    HA   HIS  98           HA       HIS  98 111.492   1.235   7.173
  746    HB2  HIS  98           HB2      HIS  98 110.202  -1.442   6.583
  747    HB3  HIS  98           HB1      HIS  98 111.021  -1.037   8.093
  748    HD1  HIS  98           HD1      HIS  98 108.003  -0.093   6.027
  749    HD2  HIS  98           HD2      HIS  98 109.545   0.613   9.835
  750    HE1  HIS  98           HE1      HIS  98 106.183   1.091   7.329
  751    H    HIS  99           HN       HIS  99 113.464   0.400   7.880
  752    HA   HIS  99           HA       HIS  99 114.908  -1.487   6.166
  753    HB2  HIS  99           HB2      HIS  99 116.823   0.034   5.907
  754    HB3  HIS  99           HB1      HIS  99 115.375   0.702   5.151
  755    HD1  HIS  99           HD1      HIS  99 114.439   2.876   6.095
  756    HD2  HIS  99           HD2      HIS  99 117.527   1.316   8.419
  757    HE1  HIS  99           HE1      HIS  99 115.036   4.663   7.785
  758    H    HIS 100           HN       HIS 100 117.067  -2.020   7.128
  759    HA   HIS 100           HA       HIS 100 117.168  -1.617  10.059
  760    HB2  HIS 100           HB2      HIS 100 116.098  -3.803   9.620
  761    HB3  HIS 100           HB1      HIS 100 117.497  -4.285   8.660
  762    HD1  HIS 100           HD1      HIS 100 119.850  -4.303  10.017
  763    HD2  HIS 100           HD2      HIS 100 116.389  -4.250  12.343
  764    HE1  HIS 100           HE1      HIS 100 120.537  -5.033  12.344
  765    H    HIS 101           HN       HIS 101 118.991  -0.498  10.290
  766    HA   HIS 101           HA       HIS 101 121.158   0.232   9.975
  767    HB2  HIS 101           HB2      HIS 101 121.518  -2.765  10.161
  768    HB3  HIS 101           HB1      HIS 101 122.817  -1.585  10.342
  769    HD1  HIS 101           HD1      HIS 101 119.568  -2.651  11.971
  770    HD2  HIS 101           HD2      HIS 101 122.910  -0.321  12.843
  771    HE1  HIS 101           HE1      HIS 101 119.370  -2.003  14.411
  772    H    HIS 102           HN       HIS 102 120.919   1.061   7.860
  773    HA   HIS 102           HA       HIS 102 122.118  -0.609   5.714
  774    HB2  HIS 102           HB2      HIS 102 119.695   0.133   5.419
  775    HB3  HIS 102           HB1      HIS 102 120.310   1.782   5.316
  776    HD1  HIS 102           HD1      HIS 102 120.528  -1.558   3.543
  777    HD2  HIS 102           HD2      HIS 102 121.503   2.437   2.859
  778    HE1  HIS 102           HE1      HIS 102 121.212  -1.397   1.112
  Start of MODEL   11
    1    H1   THR   1           HT1      THR   1  55.445   0.377  -2.028
    2    H2   THR   1           HT2      THR   1  56.508  -0.330  -3.148
    3    H3   THR   1           HT3      THR   1  54.832  -0.362  -3.425
    4    HA   THR   1           HA       THR   1  56.698   1.916  -3.623
    5    HB   THR   1           HB       THR   1  55.426   2.186  -5.776
    6    HG1  THR   1           HG1      THR   1  53.703   1.042  -6.022
    7   HG21  THR   1          HG21      THR   1  57.529   1.002  -5.846
    8   HG22  THR   1          HG22      THR   1  56.380   0.095  -6.830
    9   HG23  THR   1          HG23      THR   1  56.783  -0.462  -5.206
   10    H    ALA   2           HN       ALA   2  56.075   3.629  -2.419
   11    HA   ALA   2           HA       ALA   2  53.353   4.631  -2.666
   12    HB1  ALA   2           HB1      ALA   2  53.162   4.846  -0.133
   13    HB2  ALA   2           HB2      ALA   2  54.481   3.679  -0.030
   14    HB3  ALA   2           HB3      ALA   2  52.955   3.222  -0.787
   15    H    LYS   3           HN       LYS   3  56.568   4.928  -1.257
   16    HA   LYS   3           HA       LYS   3  56.745   7.695  -2.020
   17    HB2  LYS   3           HB2      LYS   3  55.461   7.823   0.134
   18    HB3  LYS   3           HB1      LYS   3  56.828   7.043   0.938
   19    HG2  LYS   3           HG2      LYS   3  58.307   8.871   0.260
   20    HG3  LYS   3           HG1      LYS   3  56.987   9.642  -0.619
   21    HD2  LYS   3           HD2      LYS   3  55.724   9.874   1.494
   22    HD3  LYS   3           HD1      LYS   3  57.061   9.124   2.368
   23    HE2  LYS   3           HE2      LYS   3  58.564  10.943   1.599
   24    HE3  LYS   3           HE1      LYS   3  57.200  11.706   0.782
   25    HZ1  LYS   3           HZ1      LYS   3  56.224  11.338   3.252
   26    HZ2  LYS   3           HZ2      LYS   3  56.960  12.774   2.719
   27    HZ3  LYS   3           HZ3      LYS   3  57.859  11.630   3.596
   28    H    ASN   4           HN       ASN   4  58.808   7.941  -2.676
   29    HA   ASN   4           HA       ASN   4  60.959   6.511  -1.241
   30    HB2  ASN   4           HB2      ASN   4  62.040   6.198  -3.487
   31    HB3  ASN   4           HB1      ASN   4  60.583   5.234  -3.248
   32   HD21  ASN   4          HD21      ASN   4  61.504   5.938  -5.887
   33   HD22  ASN   4          HD22      ASN   4  60.371   7.001  -6.571
   34    H    THR   5           HN       THR   5  62.380   8.064  -0.459
   35    HA   THR   5           HA       THR   5  63.216  10.194  -2.235
   36    HB   THR   5           HB       THR   5  61.672  10.855   0.283
   37    HG1  THR   5           HG1      THR   5  60.102  11.294  -1.036
   38   HG21  THR   5          HG21      THR   5  63.266  12.536  -1.660
   39   HG22  THR   5          HG22      THR   5  63.492  12.399   0.084
   40   HG23  THR   5          HG23      THR   5  62.068  13.217  -0.559
   41    H    VAL   6           HN       VAL   6  65.303   9.863  -2.008
   42    HA   VAL   6           HA       VAL   6  66.620   8.955   0.310
   43    HB   VAL   6           HB       VAL   6  67.507  10.127  -2.295
   44   HG11  VAL   6          HG11      VAL   6  69.917  10.023  -1.472
   45   HG12  VAL   6          HG12      VAL   6  69.269  10.021   0.168
   46   HG13  VAL   6          HG13      VAL   6  68.985  11.402  -0.892
   47   HG21  VAL   6          HG21      VAL   6  68.635   7.780  -0.761
   48   HG22  VAL   6          HG22      VAL   6  68.663   8.064  -2.501
   49   HG23  VAL   6          HG23      VAL   6  67.152   7.650  -1.696
   50    H    VAL   7           HN       VAL   7  67.237   9.868   2.084
   51    HA   VAL   7           HA       VAL   7  66.812  12.719   2.532
   52    HB   VAL   7           HB       VAL   7  67.784  10.550   4.419
   53   HG11  VAL   7          HG11      VAL   7  66.966  13.433   4.756
   54   HG12  VAL   7          HG12      VAL   7  68.354  12.586   5.437
   55   HG13  VAL   7          HG13      VAL   7  66.740  12.290   6.080
   56   HG21  VAL   7          HG21      VAL   7  65.006  11.645   3.869
   57   HG22  VAL   7          HG22      VAL   7  65.405  10.593   5.226
   58   HG23  VAL   7          HG23      VAL   7  65.563   9.996   3.571
   59    H    ARG   8           HN       ARG   8  69.357  10.308   2.498
   60    HA   ARG   8           HA       ARG   8  71.378  12.339   1.909
   61    HB2  ARG   8           HB2      ARG   8  71.835  12.303   4.195
   62    HB3  ARG   8           HB1      ARG   8  71.313  10.631   4.376
   63    HG2  ARG   8           HG2      ARG   8  73.330   9.786   3.399
   64    HG3  ARG   8           HG1      ARG   8  73.810  11.381   2.819
   65    HD2  ARG   8           HD2      ARG   8  73.502  10.623   5.746
   66    HD3  ARG   8           HD1      ARG   8  75.038  10.650   4.887
   67    HE   ARG   8           HE       ARG   8  73.621  12.926   5.908
   68   HH11  ARG   8          HH21      ARG   8  75.564  11.795   3.278
   69   HH12  ARG   8          HH22      ARG   8  76.308  13.331   2.981
   70   HH21  ARG   8          HH11      ARG   8  74.644  14.933   5.572
   71   HH22  ARG   8          HH12      ARG   8  75.787  15.110   4.283
   72    H    GLY   9           HN       GLY   9  72.733  11.638   0.382
   73    HA2  GLY   9           HA2      GLY   9  72.577   8.843  -0.483
   74    HA3  GLY   9           HA1      GLY   9  73.277  10.188  -1.392
   75    H    LEU  10           HN       LEU  10  74.952   8.248  -1.448
   76    HA   LEU  10           HA       LEU  10  76.589   7.865   0.831
   77    HB2  LEU  10           HB2      LEU  10  77.116   7.445  -2.115
   78    HB3  LEU  10           HB1      LEU  10  78.179   6.884  -0.822
   79    HG   LEU  10           HG       LEU  10  75.251   6.151  -0.751
   80   HD11  LEU  10          HD11      LEU  10  76.078   5.554  -3.023
   81   HD12  LEU  10          HD12      LEU  10  75.740   4.121  -2.053
   82   HD13  LEU  10          HD13      LEU  10  77.402   4.659  -2.287
   83   HD21  LEU  10          HD21      LEU  10  77.775   4.682   0.110
   84   HD22  LEU  10          HD22      LEU  10  76.117   4.183   0.436
   85   HD23  LEU  10          HD23      LEU  10  76.760   5.637   1.188
   86    H    GLU  11           HN       GLU  11  78.886   8.526   0.953
   87    HA   GLU  11           HA       GLU  11  79.456  11.100  -0.356
   88    HB2  GLU  11           HB2      GLU  11  80.256  11.930   1.918
   89    HB3  GLU  11           HB1      GLU  11  78.508  11.835   1.700
   90    HG2  GLU  11           HG2      GLU  11  80.092   9.563   2.906
   91    HG3  GLU  11           HG1      GLU  11  79.451  10.878   3.889
   92    H    ASN  12           HN       ASN  12  81.741  11.775   0.128
   93    HA   ASN  12           HA       ASN  12  83.518   9.752  -0.660
   94    HB2  ASN  12           HB2      ASN  12  85.288  11.411  -0.170
   95    HB3  ASN  12           HB1      ASN  12  83.953  12.124  -1.071
   96   HD21  ASN  12          HD21      ASN  12  85.175  14.104   0.085
   97   HD22  ASN  12          HD22      ASN  12  84.502  14.571   1.573
   98    H    VAL  13           HN       VAL  13  85.022   8.530   0.456
   99    HA   VAL  13           HA       VAL  13  84.878   8.566   3.430
  100    HB   VAL  13           HB       VAL  13  84.745   6.165   1.587
  101   HG11  VAL  13          HG11      VAL  13  85.542   6.386   4.490
  102   HG12  VAL  13          HG12      VAL  13  86.272   5.412   3.215
  103   HG13  VAL  13          HG13      VAL  13  84.720   4.936   3.906
  104   HG21  VAL  13          HG21      VAL  13  83.001   7.184   3.853
  105   HG22  VAL  13          HG22      VAL  13  82.729   5.683   2.969
  106   HG23  VAL  13          HG23      VAL  13  82.602   7.235   2.137
  107    H    GLU  14           HN       GLU  14  86.814   8.696   4.388
  108    HA   GLU  14           HA       GLU  14  89.250   8.064   2.797
  109    HB2  GLU  14           HB2      GLU  14  88.807  10.262   4.830
  110    HB3  GLU  14           HB1      GLU  14  90.360   9.870   4.092
  111    HG2  GLU  14           HG2      GLU  14  89.390  10.309   1.852
  112    HG3  GLU  14           HG1      GLU  14  87.863  10.744   2.619
  113    H    ALA  15           HN       ALA  15  90.489   6.488   3.645
  114    HA   ALA  15           HA       ALA  15  90.797   6.290   6.546
  115    HB1  ALA  15           HB1      ALA  15  90.136   4.002   6.722
  116    HB2  ALA  15           HB2      ALA  15  89.913   3.866   4.979
  117    HB3  ALA  15           HB3      ALA  15  88.813   4.861   5.934
  118    H    LEU  16           HN       LEU  16  92.745   5.497   7.161
  119    HA   LEU  16           HA       LEU  16  94.808   5.237   5.194
  120    HB2  LEU  16           HB2      LEU  16  95.185   6.227   7.433
  121    HB3  LEU  16           HB1      LEU  16  94.826   4.674   8.176
  122    HG   LEU  16           HG       LEU  16  96.777   3.688   6.952
  123   HD11  LEU  16          HD11      LEU  16  97.094   5.074   5.058
  124   HD12  LEU  16          HD12      LEU  16  98.444   5.488   6.109
  125   HD13  LEU  16          HD13      LEU  16  97.036   6.549   6.024
  126   HD21  LEU  16          HD21      LEU  16  98.516   5.005   8.285
  127   HD22  LEU  16          HD22      LEU  16  97.172   4.330   9.205
  128   HD23  LEU  16          HD23      LEU  16  97.185   6.045   8.792
  129    H    GLU  17           HN       GLU  17  96.232   3.329   4.983
  130    HA   GLU  17           HA       GLU  17  94.959   0.986   4.268
  131    HB2  GLU  17           HB2      GLU  17  97.313   1.493   3.737
  132    HB3  GLU  17           HB1      GLU  17  97.747   1.224   5.423
  133    HG2  GLU  17           HG2      GLU  17  97.008  -1.105   5.275
  134    HG3  GLU  17           HG1      GLU  17  96.468  -0.848   3.615
  135    H    GLY  18           HN       GLY  18  94.532  -0.976   5.247
  136    HA2  GLY  18           HA2      GLY  18  93.872  -2.414   6.893
  137    HA3  GLY  18           HA1      GLY  18  95.177  -1.737   7.868
  138    H    GLY  19           HN       GLY  19  92.824   0.444   6.638
  139    HA2  GLY  19           HA2      GLY  19  91.843   0.968   9.356
  140    HA3  GLY  19           HA1      GLY  19  91.617   1.996   7.941
  141    H    GLU  20           HN       GLU  20  89.419   1.712   9.314
  142    HA   GLU  20           HA       GLU  20  87.831  -0.438   8.017
  143    HB2  GLU  20           HB2      GLU  20  87.899  -0.455  10.526
  144    HB3  GLU  20           HB1      GLU  20  87.171   1.152  10.515
  145    HG2  GLU  20           HG2      GLU  20  85.215   0.278   9.316
  146    HG3  GLU  20           HG1      GLU  20  85.949  -1.322   9.263
  147    H    ALA  21           HN       ALA  21  85.713   0.209   7.184
  148    HA   ALA  21           HA       ALA  21  85.324   3.129   6.905
  149    HB1  ALA  21           HB1      ALA  21  84.759   2.622   4.397
  150    HB2  ALA  21           HB2      ALA  21  85.800   1.227   4.632
  151    HB3  ALA  21           HB3      ALA  21  86.439   2.846   4.881
  152    H    LEU  22           HN       LEU  22  83.271   3.805   6.705
  153    HA   LEU  22           HA       LEU  22  81.142   1.767   6.534
  154    HB2  LEU  22           HB2      LEU  22  81.066   4.055   8.501
  155    HB3  LEU  22           HB1      LEU  22  79.983   2.671   8.401
  156    HG   LEU  22           HG       LEU  22  82.331   1.338   8.734
  157   HD11  LEU  22          HD11      LEU  22  82.733   3.776  10.475
  158   HD12  LEU  22          HD12      LEU  22  83.482   3.651   8.885
  159   HD13  LEU  22          HD13      LEU  22  83.868   2.470  10.135
  160   HD21  LEU  22          HD21      LEU  22  80.807   2.589  11.041
  161   HD22  LEU  22          HD22      LEU  22  81.761   1.106  11.087
  162   HD23  LEU  22          HD23      LEU  22  80.270   1.165  10.148
  163    H    PHE  23           HN       PHE  23  79.551   2.275   5.177
  164    HA   PHE  23           HA       PHE  23  79.332   5.079   4.229
  165    HB2  PHE  23           HB2      PHE  23  78.828   2.411   2.928
  166    HB3  PHE  23           HB1      PHE  23  78.020   3.851   2.323
  167    HD1  PHE  23           HD1      PHE  23  79.363   5.775   1.502
  168    HD2  PHE  23           HD2      PHE  23  81.160   2.008   2.524
  169    HE1  PHE  23           HE1      PHE  23  81.391   6.397   0.219
  170    HE2  PHE  23           HE2      PHE  23  83.191   2.629   1.239
  171    HZ   PHE  23           HZ       PHE  23  83.306   4.825   0.087
  172    H    GLU  24           HN       GLU  24  77.784   6.018   5.501
  173    HA   GLU  24           HA       GLU  24  75.340   4.478   6.107
  174    HB2  GLU  24           HB2      GLU  24  76.441   7.050   7.252
  175    HB3  GLU  24           HB1      GLU  24  74.864   6.375   7.676
  176    HG2  GLU  24           HG2      GLU  24  75.948   4.288   8.383
  177    HG3  GLU  24           HG1      GLU  24  77.525   4.957   7.982
  178    H    CYS  25           HN       CYS  25  73.827   4.618   4.676
  179    HA   CYS  25           HA       CYS  25  73.153   7.253   3.484
  180    HB2  CYS  25           HB2      CYS  25  73.969   5.894   1.688
  181    HB3  CYS  25           HB1      CYS  25  73.079   4.484   2.264
  182    HG   CYS  25           HG       CYS  25  70.905   5.467   1.386
  183    H    GLN  26           HN       GLN  26  71.147   7.932   3.922
  184    HA   GLN  26           HA       GLN  26  69.225   5.993   5.098
  185    HB2  GLN  26           HB2      GLN  26  69.560   8.970   5.549
  186    HB3  GLN  26           HB1      GLN  26  68.227   8.007   6.188
  187    HG2  GLN  26           HG2      GLN  26  69.805   6.586   7.407
  188    HG3  GLN  26           HG1      GLN  26  71.162   7.490   6.737
  189   HE21  GLN  26          HE21      GLN  26  69.951   7.178   9.610
  190   HE22  GLN  26          HE22      GLN  26  69.855   8.781  10.160
  191    H    LEU  27           HN       LEU  27  67.022   6.234   4.533
  192    HA   LEU  27           HA       LEU  27  66.293   8.077   2.424
  193    HB2  LEU  27           HB2      LEU  27  65.423   6.068   1.011
  194    HB3  LEU  27           HB1      LEU  27  67.118   6.523   0.899
  195    HG   LEU  27           HG       LEU  27  67.808   4.706   2.295
  196   HD11  LEU  27          HD11      LEU  27  66.049   3.132   3.262
  197   HD12  LEU  27          HD12      LEU  27  64.857   4.376   2.918
  198   HD13  LEU  27          HD13      LEU  27  66.166   4.696   4.059
  199   HD21  LEU  27          HD21      LEU  27  65.551   3.732   0.523
  200   HD22  LEU  27          HD22      LEU  27  66.925   2.768   1.071
  201   HD23  LEU  27          HD23      LEU  27  67.180   4.119  -0.037
  202    H    SER  28           HN       SER  28  64.001   7.619   1.677
  203    HA   SER  28           HA       SER  28  62.367   6.750   3.989
  204    HB2  SER  28           HB2      SER  28  62.268   9.186   3.634
  205    HB3  SER  28           HB1      SER  28  61.788   8.924   1.960
  206    HG   SER  28           HG       SER  28  60.152   9.208   3.845
  207    H    GLN  29           HN       GLN  29  62.160   4.647   3.214
  208    HA   GLN  29           HA       GLN  29  60.029   4.228   1.355
  209    HB2  GLN  29           HB2      GLN  29  62.039   4.617  -0.162
  210    HB3  GLN  29           HB1      GLN  29  62.723   3.139   0.512
  211    HG2  GLN  29           HG2      GLN  29  60.579   1.963  -0.157
  212    HG3  GLN  29           HG1      GLN  29  60.142   3.423  -1.043
  213   HE21  GLN  29          HE21      GLN  29  63.432   2.011  -0.741
  214   HE22  GLN  29          HE22      GLN  29  63.616   1.705  -2.400
  215    HA   PRO  30           HA       PRO  30  60.836   0.904   4.474
  216    HB2  PRO  30           HB2      PRO  30  58.057   1.102   5.306
  217    HB3  PRO  30           HB1      PRO  30  59.508   1.505   6.236
  218    HG2  PRO  30           HG2      PRO  30  57.643   3.338   5.282
  219    HG3  PRO  30           HG1      PRO  30  59.289   3.723   5.809
  220    HD2  PRO  30           HD2      PRO  30  58.213   3.472   3.034
  221    HD3  PRO  30           HD1      PRO  30  59.546   4.478   3.644
  222    H    GLU  31           HN       GLU  31  60.388   0.586   1.717
  223    HA   GLU  31           HA       GLU  31  58.882  -1.910   1.702
  224    HB2  GLU  31           HB2      GLU  31  57.227  -0.153   1.073
  225    HB3  GLU  31           HB1      GLU  31  58.276   0.323  -0.259
  226    HG2  GLU  31           HG2      GLU  31  57.337  -2.531   0.050
  227    HG3  GLU  31           HG1      GLU  31  56.346  -1.329  -0.770
  228    H    VAL  32           HN       VAL  32  59.518  -3.260  -0.107
  229    HA   VAL  32           HA       VAL  32  61.814  -2.248  -1.659
  230    HB   VAL  32           HB       VAL  32  63.177  -4.075  -1.157
  231   HG11  VAL  32          HG11      VAL  32  63.466  -3.945   1.208
  232   HG12  VAL  32          HG12      VAL  32  61.760  -3.576   1.460
  233   HG13  VAL  32          HG13      VAL  32  62.817  -2.387   0.698
  234   HG21  VAL  32          HG21      VAL  32  62.248  -5.971   0.351
  235   HG22  VAL  32          HG22      VAL  32  61.767  -5.971  -1.344
  236   HG23  VAL  32          HG23      VAL  32  60.656  -5.369  -0.113
  237    H    ALA  33           HN       ALA  33  61.404  -2.394  -3.675
  238    HA   ALA  33           HA       ALA  33  59.632  -4.537  -4.712
  239    HB1  ALA  33           HB1      ALA  33  59.280  -2.990  -6.633
  240    HB2  ALA  33           HB2      ALA  33  60.266  -1.784  -5.804
  241    HB3  ALA  33           HB3      ALA  33  58.739  -2.314  -5.097
  242    H    ALA  34           HN       ALA  34  62.660  -2.778  -5.218
  243    HA   ALA  34           HA       ALA  34  63.964  -5.045  -6.336
  244    HB1  ALA  34           HB1      ALA  34  64.380  -4.076  -8.595
  245    HB2  ALA  34           HB2      ALA  34  63.199  -2.817  -8.234
  246    HB3  ALA  34           HB3      ALA  34  62.691  -4.503  -8.328
  247    H    HIS  35           HN       HIS  35  65.988  -4.814  -5.560
  248    HA   HIS  35           HA       HIS  35  67.249  -2.134  -5.664
  249    HB2  HIS  35           HB2      HIS  35  67.445  -3.998  -3.289
  250    HB3  HIS  35           HB1      HIS  35  68.137  -2.382  -3.437
  251    HD1  HIS  35           HD1      HIS  35  65.755  -0.850  -4.608
  252    HD2  HIS  35           HD2      HIS  35  65.422  -3.557  -1.459
  253    HE1  HIS  35           HE1      HIS  35  63.600  -0.282  -3.398
  254    H    THR  36           HN       THR  36  69.228  -2.157  -6.479
  255    HA   THR  36           HA       THR  36  70.740  -4.717  -6.537
  256    HB   THR  36           HB       THR  36  70.673  -2.585  -8.694
  257    HG1  THR  36           HG1      THR  36  69.073  -4.656  -8.180
  258   HG21  THR  36          HG21      THR  36  71.969  -4.338  -9.957
  259   HG22  THR  36          HG22      THR  36  72.105  -5.244  -8.450
  260   HG23  THR  36          HG23      THR  36  72.843  -3.648  -8.589
  261    H    TRP  37           HN       TRP  37  72.584  -4.546  -5.432
  262    HA   TRP  37           HA       TRP  37  73.847  -1.864  -5.150
  263    HB2  TRP  37           HB2      TRP  37  72.633  -2.970  -3.118
  264    HB3  TRP  37           HB1      TRP  37  74.033  -4.024  -3.058
  265    HD1  TRP  37           HD1      TRP  37  76.050  -1.477  -3.971
  266    HE1  TRP  37           HE1      TRP  37  76.725   0.155  -2.121
  267    HE3  TRP  37           HE3      TRP  37  72.367  -2.446  -0.579
  268    HZ2  TRP  37           HZ2      TRP  37  75.828   0.966   0.460
  269    HZ3  TRP  37           HZ3      TRP  37  72.299  -1.217   1.573
  270    HH2  TRP  37           HH2      TRP  37  74.022   0.487   2.095
  271    H    LEU  38           HN       LEU  38  75.796  -1.725  -5.875
  272    HA   LEU  38           HA       LEU  38  77.717  -3.811  -5.532
  273    HB2  LEU  38           HB2      LEU  38  78.296  -3.806  -8.097
  274    HB3  LEU  38           HB1      LEU  38  77.100  -4.904  -7.440
  275    HG   LEU  38           HG       LEU  38  75.429  -2.876  -8.063
  276   HD11  LEU  38          HD11      LEU  38  76.991  -1.305  -8.974
  277   HD12  LEU  38          HD12      LEU  38  76.175  -2.028 -10.351
  278   HD13  LEU  38          HD13      LEU  38  77.801  -2.549  -9.924
  279   HD21  LEU  38          HD21      LEU  38  76.569  -4.953  -9.952
  280   HD22  LEU  38          HD22      LEU  38  75.083  -4.048 -10.258
  281   HD23  LEU  38          HD23      LEU  38  75.182  -5.144  -8.878
  282    H    LEU  39           HN       LEU  39  79.482  -2.948  -5.042
  283    HA   LEU  39           HA       LEU  39  80.096  -0.169  -5.759
  284    HB2  LEU  39           HB2      LEU  39  82.164  -1.162  -4.095
  285    HB3  LEU  39           HB1      LEU  39  80.827  -0.160  -3.578
  286    HG   LEU  39           HG       LEU  39  79.483  -2.308  -3.299
  287   HD11  LEU  39          HD11      LEU  39  81.121  -3.675  -4.683
  288   HD12  LEU  39          HD12      LEU  39  80.717  -4.384  -3.118
  289   HD13  LEU  39          HD13      LEU  39  82.252  -3.545  -3.336
  290   HD21  LEU  39          HD21      LEU  39  81.943  -2.044  -1.562
  291   HD22  LEU  39          HD22      LEU  39  80.390  -2.757  -1.110
  292   HD23  LEU  39          HD23      LEU  39  80.511  -1.022  -1.422
  293    H    ASP  40           HN       ASP  40  82.669  -2.426  -5.135
  294    HA   ASP  40           HA       ASP  40  83.878  -2.035  -7.617
  295    HB2  ASP  40           HB2      ASP  40  85.014  -3.049  -5.601
  296    HB3  ASP  40           HB1      ASP  40  84.051  -4.506  -5.844
  297    H    ASP  41           HN       ASP  41  83.996  -3.831  -9.266
  298    HA   ASP  41           HA       ASP  41  81.410  -4.343 -10.231
  299    HB2  ASP  41           HB2      ASP  41  84.125  -5.348 -11.077
  300    HB3  ASP  41           HB1      ASP  41  82.645  -5.757 -11.944
  301    H    GLU  42           HN       GLU  42  81.488  -5.423  -7.669
  302    HA   GLU  42           HA       GLU  42  80.745  -8.188  -8.271
  303    HB2  GLU  42           HB2      GLU  42  82.828  -7.385  -6.234
  304    HB3  GLU  42           HB1      GLU  42  81.868  -8.846  -6.002
  305    HG2  GLU  42           HG2      GLU  42  82.612  -9.697  -8.193
  306    HG3  GLU  42           HG1      GLU  42  83.551  -8.229  -8.455
  307    HA   PRO  43           HA       PRO  43  77.271  -6.859  -5.860
  308    HB2  PRO  43           HB2      PRO  43  76.850  -9.436  -4.584
  309    HB3  PRO  43           HB1      PRO  43  75.921  -8.699  -5.898
  310    HG2  PRO  43           HG2      PRO  43  77.828 -10.854  -6.041
  311    HG3  PRO  43           HG1      PRO  43  76.820 -10.187  -7.332
  312    HD2  PRO  43           HD2      PRO  43  79.641  -9.900  -7.061
  313    HD3  PRO  43           HD1      PRO  43  78.594  -9.065  -8.226
  314    H    VAL  44           HN       VAL  44  76.982  -6.047  -3.773
  315    HA   VAL  44           HA       VAL  44  79.278  -6.364  -2.005
  316    HB   VAL  44           HB       VAL  44  78.480  -4.143  -2.443
  317   HG11  VAL  44          HG11      VAL  44  75.847  -5.344  -2.054
  318   HG12  VAL  44          HG12      VAL  44  76.276  -3.807  -2.784
  319   HG13  VAL  44          HG13      VAL  44  76.032  -3.909  -1.045
  320   HG21  VAL  44          HG21      VAL  44  79.425  -4.708  -0.204
  321   HG22  VAL  44          HG22      VAL  44  77.789  -4.936   0.398
  322   HG23  VAL  44          HG23      VAL  44  78.305  -3.351  -0.152
  323    H    ARG  45           HN       ARG  45  78.981  -8.454  -1.330
  324    HA   ARG  45           HA       ARG  45  77.221  -8.702   0.983
  325    HB2  ARG  45           HB2      ARG  45  75.877  -9.742  -0.764
  326    HB3  ARG  45           HB1      ARG  45  77.250 -10.719  -1.284
  327    HG2  ARG  45           HG2      ARG  45  77.134 -12.128   0.566
  328    HG3  ARG  45           HG1      ARG  45  76.438 -10.887   1.607
  329    HD2  ARG  45           HD2      ARG  45  74.286 -11.133   0.649
  330    HD3  ARG  45           HD1      ARG  45  74.908 -12.056  -0.719
  331    HE   ARG  45           HE       ARG  45  74.972 -13.968   0.642
  332   HH11  ARG  45          HH11      ARG  45  72.879 -11.811   1.998
  333   HH12  ARG  45          HH12      ARG  45  73.035 -12.354   3.636
  334   HH21  ARG  45          HH21      ARG  45  75.772 -14.381   2.989
  335   HH22  ARG  45          HH22      ARG  45  74.671 -13.805   4.195
  336    H    THR  46           HN       THR  46  78.881 -11.244  -0.716
  337    HA   THR  46           HA       THR  46  80.695 -12.521  -0.161
  338    HB   THR  46           HB       THR  46  82.682 -11.329   0.032
  339    HG1  THR  46           HG1      THR  46  81.592  -9.099   1.279
  340   HG21  THR  46          HG21      THR  46  81.030 -10.346  -1.729
  341   HG22  THR  46          HG22      THR  46  82.487  -9.436  -1.333
  342   HG23  THR  46          HG23      THR  46  80.942  -8.965  -0.633
  343    H    SER  47           HN       SER  47  82.217 -11.225   2.434
  344    HA   SER  47           HA       SER  47  80.478 -12.494   4.461
  345    HB2  SER  47           HB2      SER  47  82.207 -14.111   3.513
  346    HB3  SER  47           HB1      SER  47  83.420 -13.107   4.303
  347    HG   SER  47           HG       SER  47  81.272 -13.727   5.894
  348    H    GLU  48           HN       GLU  48  82.924 -12.410   6.289
  349    HA   GLU  48           HA       GLU  48  82.298 -10.071   7.644
  350    HB2  GLU  48           HB2      GLU  48  83.585 -11.969   8.597
  351    HB3  GLU  48           HB1      GLU  48  84.984 -11.464   7.650
  352    HG2  GLU  48           HG2      GLU  48  84.950  -9.265   8.783
  353    HG3  GLU  48           HG1      GLU  48  83.568  -9.785   9.742
  354    H    ASN  49           HN       ASN  49  84.967 -10.594   5.352
  355    HA   ASN  49           HA       ASN  49  86.123  -8.043   5.558
  356    HB2  ASN  49           HB2      ASN  49  86.064  -9.909   3.180
  357    HB3  ASN  49           HB1      ASN  49  87.143  -8.526   3.359
  358   HD21  ASN  49          HD21      ASN  49  87.368 -11.734   3.533
  359   HD22  ASN  49          HD22      ASN  49  88.418 -11.923   4.853
  360    H    ALA  50           HN       ALA  50  83.042  -8.573   4.697
  361    HA   ALA  50           HA       ALA  50  82.424  -6.012   3.860
  362    HB1  ALA  50           HB1      ALA  50  81.892  -6.612   1.370
  363    HB2  ALA  50           HB2      ALA  50  83.118  -7.862   1.587
  364    HB3  ALA  50           HB3      ALA  50  83.541  -6.164   1.799
  365    H    GLU  51           HN       GLU  51  80.189  -5.827   4.040
  366    HA   GLU  51           HA       GLU  51  78.335  -7.796   3.206
  367    HB2  GLU  51           HB2      GLU  51  79.414  -9.067   5.118
  368    HB3  GLU  51           HB1      GLU  51  78.826  -7.811   6.199
  369    HG2  GLU  51           HG2      GLU  51  77.222  -9.570   6.284
  370    HG3  GLU  51           HG1      GLU  51  76.495  -8.303   5.302
  371    H    VAL  52           HN       VAL  52  76.205  -6.911   3.278
  372    HA   VAL  52           HA       VAL  52  75.986  -4.248   4.439
  373    HB   VAL  52           HB       VAL  52  73.887  -5.758   2.872
  374   HG11  VAL  52          HG11      VAL  52  74.512  -2.814   3.236
  375   HG12  VAL  52          HG12      VAL  52  73.200  -3.695   4.019
  376   HG13  VAL  52          HG13      VAL  52  73.189  -3.468   2.269
  377   HG21  VAL  52          HG21      VAL  52  76.079  -3.993   1.723
  378   HG22  VAL  52          HG22      VAL  52  74.805  -4.818   0.827
  379   HG23  VAL  52          HG23      VAL  52  76.059  -5.753   1.630
  380    H    VAL  53           HN       VAL  53  74.398  -3.702   5.934
  381    HA   VAL  53           HA       VAL  53  72.811  -5.860   7.161
  382    HB   VAL  53           HB       VAL  53  74.770  -5.841   8.537
  383   HG11  VAL  53          HG11      VAL  53  75.814  -3.816   7.849
  384   HG12  VAL  53          HG12      VAL  53  75.510  -3.648   9.581
  385   HG13  VAL  53          HG13      VAL  53  74.456  -2.841   8.417
  386   HG21  VAL  53          HG21      VAL  53  73.852  -5.171  10.682
  387   HG22  VAL  53          HG22      VAL  53  72.533  -5.804   9.698
  388   HG23  VAL  53          HG23      VAL  53  72.722  -4.065   9.906
  389    H    PHE  54           HN       PHE  54  70.929  -5.149   8.143
  390    HA   PHE  54           HA       PHE  54  70.076  -2.427   7.379
  391    HB2  PHE  54           HB2      PHE  54  68.712  -5.058   7.825
  392    HB3  PHE  54           HB1      PHE  54  67.767  -3.583   8.005
  393    HD1  PHE  54           HD2      PHE  54  70.255  -5.122   5.640
  394    HD2  PHE  54           HD1      PHE  54  66.715  -2.722   6.117
  395    HE1  PHE  54           HE2      PHE  54  70.008  -4.991   3.173
  396    HE2  PHE  54           HE1      PHE  54  66.473  -2.594   3.655
  397    HZ   PHE  54           HZ       PHE  54  68.115  -3.728   2.182
  398    H    PHE  55           HN       PHE  55  69.125  -1.008   8.725
  399    HA   PHE  55           HA       PHE  55  68.635  -1.699  11.535
  400    HB2  PHE  55           HB2      PHE  55  70.360   0.617  10.628
  401    HB3  PHE  55           HB1      PHE  55  69.638   0.507  12.230
  402    HD1  PHE  55           HD1      PHE  55  70.323  -1.268  13.805
  403    HD2  PHE  55           HD2      PHE  55  72.197  -0.789   9.978
  404    HE1  PHE  55           HE1      PHE  55  72.201  -2.707  14.549
  405    HE2  PHE  55           HE2      PHE  55  74.070  -2.224  10.714
  406    HZ   PHE  55           HZ       PHE  55  74.076  -3.188  12.998
  407    H    GLU  56           HN       GLU  56  66.957  -0.469  12.432
  408    HA   GLU  56           HA       GLU  56  64.963   0.669  12.368
  409    HB2  GLU  56           HB2      GLU  56  66.662   2.453  10.618
  410    HB3  GLU  56           HB1      GLU  56  65.029   2.869  11.142
  411    HG2  GLU  56           HG2      GLU  56  65.677   2.754  13.469
  412    HG3  GLU  56           HG1      GLU  56  67.279   2.155  13.039
  413    H    ASN  57           HN       ASN  57  65.407  -1.472  10.487
  414    HA   ASN  57           HA       ASN  57  64.297  -2.530   8.790
  415    HB2  ASN  57           HB2      ASN  57  62.403  -0.181   8.911
  416    HB3  ASN  57           HB1      ASN  57  62.099  -1.733   8.139
  417   HD21  ASN  57          HD21      ASN  57  61.183  -0.156  10.817
  418   HD22  ASN  57          HD22      ASN  57  61.104  -1.436  11.929
  419    H    GLY  58           HN       GLY  58  66.490  -0.887   8.077
  420    HA2  GLY  58           HA2      GLY  58  67.485  -0.500   5.994
  421    HA3  GLY  58           HA1      GLY  58  65.898  -0.570   5.243
  422    H    LEU  59           HN       LEU  59  65.450   1.465   7.729
  423    HA   LEU  59           HA       LEU  59  65.363   3.775   6.085
  424    HB2  LEU  59           HB2      LEU  59  64.066   3.212   8.263
  425    HB3  LEU  59           HB1      LEU  59  65.490   3.837   9.088
  426    HG   LEU  59           HG       LEU  59  65.199   5.902   7.473
  427   HD11  LEU  59          HD11      LEU  59  62.754   6.335   7.030
  428   HD12  LEU  59          HD12      LEU  59  62.431   4.653   7.443
  429   HD13  LEU  59          HD13      LEU  59  63.435   5.042   6.047
  430   HD21  LEU  59          HD21      LEU  59  64.950   5.989   9.919
  431   HD22  LEU  59          HD22      LEU  59  63.299   5.382   9.782
  432   HD23  LEU  59          HD23      LEU  59  63.712   6.971   9.136
  433    H    ARG  60           HN       ARG  60  67.808   2.209   7.875
  434    HA   ARG  60           HA       ARG  60  69.754   4.267   7.128
  435    HB2  ARG  60           HB2      ARG  60  69.011   4.829   9.442
  436    HB3  ARG  60           HB1      ARG  60  69.533   3.229   9.964
  437    HG2  ARG  60           HG2      ARG  60  71.830   3.731   9.219
  438    HG3  ARG  60           HG1      ARG  60  71.315   5.333   8.701
  439    HD2  ARG  60           HD2      ARG  60  70.561   5.769  11.066
  440    HD3  ARG  60           HD1      ARG  60  71.305   4.241  11.525
  441    HE   ARG  60           HE       ARG  60  73.133   5.961  10.123
  442   HH11  ARG  60          HH11      ARG  60  73.188   4.130  12.765
  443   HH12  ARG  60          HH12      ARG  60  73.781   5.306  13.890
  444   HH21  ARG  60          HH21      ARG  60  73.246   8.002  11.771
  445   HH22  ARG  60          HH22      ARG  60  73.816   7.496  13.327
  446    H    HIS  61           HN       HIS  61  70.506   2.733   5.642
  447    HA   HIS  61           HA       HIS  61  71.329   0.096   6.480
  448    HB2  HIS  61           HB2      HIS  61  71.820   1.622   3.916
  449    HB3  HIS  61           HB1      HIS  61  72.214  -0.074   4.168
  450    HD1  HIS  61           HD1      HIS  61  69.497   2.143   3.154
  451    HD2  HIS  61           HD2      HIS  61  69.792  -1.708   4.720
  452    HE1  HIS  61           HE1      HIS  61  67.276   1.014   2.702
  453    H    LEU  62           HN       LEU  62  73.278  -0.539   7.198
  454    HA   LEU  62           HA       LEU  62  75.564   1.353   6.998
  455    HB2  LEU  62           HB2      LEU  62  74.697  -0.563   9.157
  456    HB3  LEU  62           HB1      LEU  62  76.417  -0.244   8.951
  457    HG   LEU  62           HG       LEU  62  75.994   2.167   9.175
  458   HD11  LEU  62          HD11      LEU  62  73.147   1.225   9.289
  459   HD12  LEU  62          HD12      LEU  62  73.829   2.629   8.471
  460   HD13  LEU  62          HD13      LEU  62  73.606   2.651  10.219
  461   HD21  LEU  62          HD21      LEU  62  74.730   0.661  11.473
  462   HD22  LEU  62          HD22      LEU  62  75.653   2.161  11.550
  463   HD23  LEU  62          HD23      LEU  62  76.464   0.647  11.148
  464    H    LEU  63           HN       LEU  63  77.158   0.713   5.707
  465    HA   LEU  63           HA       LEU  63  77.354  -2.162   4.970
  466    HB2  LEU  63           HB2      LEU  63  76.853  -0.937   3.012
  467    HB3  LEU  63           HB1      LEU  63  77.918   0.382   3.463
  468    HG   LEU  63           HG       LEU  63  79.887  -0.960   3.036
  469   HD11  LEU  63          HD11      LEU  63  77.879  -3.203   2.948
  470   HD12  LEU  63          HD12      LEU  63  79.442  -3.140   3.757
  471   HD13  LEU  63          HD13      LEU  63  79.364  -3.348   2.011
  472   HD21  LEU  63          HD21      LEU  63  79.504  -1.529   0.628
  473   HD22  LEU  63          HD22      LEU  63  78.925   0.073   1.067
  474   HD23  LEU  63          HD23      LEU  63  77.781  -1.256   0.877
  475    H    LEU  64           HN       LEU  64  78.906  -3.049   6.288
  476    HA   LEU  64           HA       LEU  64  81.170  -1.484   7.126
  477    HB2  LEU  64           HB2      LEU  64  80.146  -4.238   7.678
  478    HB3  LEU  64           HB1      LEU  64  81.839  -3.899   8.019
  479    HG   LEU  64           HG       LEU  64  80.376  -3.537   9.970
  480   HD11  LEU  64          HD11      LEU  64  81.565  -1.743  10.757
  481   HD12  LEU  64          HD12      LEU  64  81.307  -0.781   9.305
  482   HD13  LEU  64          HD13      LEU  64  82.506  -2.074   9.307
  483   HD21  LEU  64          HD21      LEU  64  78.385  -2.772   8.649
  484   HD22  LEU  64          HD22      LEU  64  79.214  -1.239   8.379
  485   HD23  LEU  64          HD23      LEU  64  78.763  -1.721  10.013
  486    H    LEU  65           HN       LEU  65  83.231  -1.948   6.879
  487    HA   LEU  65           HA       LEU  65  84.175  -3.647   4.672
  488    HB2  LEU  65           HB2      LEU  65  84.645  -0.683   4.931
  489    HB3  LEU  65           HB1      LEU  65  85.719  -1.716   3.995
  490    HG   LEU  65           HG       LEU  65  82.724  -1.504   3.537
  491   HD11  LEU  65          HD11      LEU  65  83.479  -0.221   1.464
  492   HD12  LEU  65          HD12      LEU  65  85.056  -0.080   2.240
  493   HD13  LEU  65          HD13      LEU  65  83.632   0.634   2.998
  494   HD21  LEU  65          HD21      LEU  65  84.979  -2.998   2.205
  495   HD22  LEU  65          HD22      LEU  65  83.643  -2.421   1.208
  496   HD23  LEU  65          HD23      LEU  65  83.330  -3.528   2.538
  497    H    LYS  66           HN       LYS  66  86.663  -3.864   4.851
  498    HA   LYS  66           HA       LYS  66  87.816  -3.114   7.384
  499    HB2  LYS  66           HB2      LYS  66  87.270  -6.041   6.805
  500    HB3  LYS  66           HB1      LYS  66  88.347  -5.455   8.067
  501    HG2  LYS  66           HG2      LYS  66  86.416  -4.252   9.112
  502    HG3  LYS  66           HG1      LYS  66  85.355  -4.957   7.890
  503    HD2  LYS  66           HD2      LYS  66  85.993  -7.211   8.606
  504    HD3  LYS  66           HD1      LYS  66  87.057  -6.531   9.832
  505    HE2  LYS  66           HE2      LYS  66  85.114  -5.440  10.907
  506    HE3  LYS  66           HE1      LYS  66  84.052  -6.143   9.687
  507    HZ1  LYS  66           HZ1      LYS  66  83.921  -7.926  10.970
  508    HZ2  LYS  66           HZ2      LYS  66  85.100  -7.329  12.037
  509    HZ3  LYS  66           HZ3      LYS  66  85.563  -8.226  10.671
  510    H    ASN  67           HN       ASN  67  90.048  -4.303   7.563
  511    HA   ASN  67           HA       ASN  67  92.196  -4.194   6.608
  512    HB2  ASN  67           HB2      ASN  67  90.736  -6.290   4.985
  513    HB3  ASN  67           HB1      ASN  67  92.489  -6.107   5.032
  514   HD21  ASN  67          HD21      ASN  67  89.946  -7.777   6.471
  515   HD22  ASN  67          HD22      ASN  67  90.708  -8.199   7.928
  516    H    LEU  68           HN       LEU  68  90.893  -2.024   5.620
  517    HA   LEU  68           HA       LEU  68  90.499  -1.921   2.865
  518    HB2  LEU  68           HB2      LEU  68  91.317   0.225   4.804
  519    HB3  LEU  68           HB1      LEU  68  90.832   0.545   3.144
  520    HG   LEU  68           HG       LEU  68  89.111  -0.925   5.156
  521   HD11  LEU  68          HD11      LEU  68  89.610   1.507   5.698
  522   HD12  LEU  68          HD12      LEU  68  87.912   1.123   5.471
  523   HD13  LEU  68          HD13      LEU  68  88.805   1.929   4.187
  524   HD21  LEU  68          HD21      LEU  68  87.381  -0.019   3.294
  525   HD22  LEU  68          HD22      LEU  68  88.209  -1.562   3.116
  526   HD23  LEU  68          HD23      LEU  68  88.811  -0.140   2.267
  527    H    ARG  69           HN       ARG  69  91.941  -2.569   1.437
  528    HA   ARG  69           HA       ARG  69  94.755  -1.712   1.648
  529    HB2  ARG  69           HB2      ARG  69  94.779  -3.297  -0.516
  530    HB3  ARG  69           HB1      ARG  69  94.806  -3.972   1.111
  531    HG2  ARG  69           HG2      ARG  69  92.388  -4.302   1.059
  532    HG3  ARG  69           HG1      ARG  69  92.287  -3.509  -0.514
  533    HD2  ARG  69           HD2      ARG  69  93.973  -5.347  -1.283
  534    HD3  ARG  69           HD1      ARG  69  93.463  -6.193   0.178
  535    HE   ARG  69           HE       ARG  69  91.372  -5.245  -1.658
  536   HH11  ARG  69          HH21      ARG  69  91.560  -7.485   0.622
  537   HH12  ARG  69          HH22      ARG  69  91.225  -8.876  -0.353
  538   HH21  ARG  69          HH11      ARG  69  91.668  -7.199  -3.355
  539   HH22  ARG  69          HH12      ARG  69  91.290  -8.716  -2.609
  540    HA   PRO  70           HA       PRO  70  94.354   1.506  -1.326
  541    HB2  PRO  70           HB2      PRO  70  96.415   0.638  -3.164
  542    HB3  PRO  70           HB1      PRO  70  96.525   1.896  -1.925
  543    HG2  PRO  70           HG2      PRO  70  97.599  -0.804  -1.883
  544    HG3  PRO  70           HG1      PRO  70  97.918   0.538  -0.778
  545    HD2  PRO  70           HD2      PRO  70  96.429  -1.767  -0.166
  546    HD3  PRO  70           HD1      PRO  70  96.438  -0.267   0.779
  547    H    GLN  71           HN       GLN  71  94.748  -1.756  -2.549
  548    HA   GLN  71           HA       GLN  71  93.746  -1.498  -5.128
  549    HB2  GLN  71           HB2      GLN  71  94.727  -3.575  -4.316
  550    HB3  GLN  71           HB1      GLN  71  93.410  -3.780  -3.165
  551    HG2  GLN  71           HG2      GLN  71  91.801  -4.064  -4.955
  552    HG3  GLN  71           HG1      GLN  71  93.016  -3.653  -6.168
  553   HE21  GLN  71          HE21      GLN  71  93.830  -5.494  -7.181
  554   HE22  GLN  71          HE22      GLN  71  94.033  -7.006  -6.439
  555    H    ASP  72           HN       ASP  72  91.891  -2.307  -2.139
  556    HA   ASP  72           HA       ASP  72  89.402  -2.520  -3.103
  557    HB2  ASP  72           HB2      ASP  72  89.975  -2.722  -0.735
  558    HB3  ASP  72           HB1      ASP  72  90.220  -0.980  -0.638
  559    H    SER  73           HN       SER  73  91.073   0.653  -2.536
  560    HA   SER  73           HA       SER  73  89.095   2.441  -2.829
  561    HB2  SER  73           HB2      SER  73  91.698   2.509  -4.367
  562    HB3  SER  73           HB1      SER  73  90.682   3.895  -3.984
  563    HG   SER  73           HG       SER  73  91.132   3.620  -1.841
  564    H    CYS  74           HN       CYS  74  87.378   2.380  -4.075
  565    HA   CYS  74           HA       CYS  74  87.654   2.342  -6.964
  566    HB2  CYS  74           HB2      CYS  74  86.324   0.384  -7.366
  567    HB3  CYS  74           HB1      CYS  74  87.638  -0.076  -6.283
  568    HG   CYS  74           HG       CYS  74  85.066  -0.807  -5.496
  569    H    ARG  75           HN       ARG  75  85.197   2.000  -7.825
  570    HA   ARG  75           HA       ARG  75  83.796   4.322  -6.826
  571    HB2  ARG  75           HB2      ARG  75  83.988   3.816  -9.242
  572    HB3  ARG  75           HB1      ARG  75  83.054   2.343  -8.990
  573    HG2  ARG  75           HG2      ARG  75  81.164   3.728  -8.126
  574    HG3  ARG  75           HG1      ARG  75  82.099   5.178  -8.500
  575    HD2  ARG  75           HD2      ARG  75  81.380   3.045 -10.518
  576    HD3  ARG  75           HD1      ARG  75  80.468   4.538 -10.291
  577    HE   ARG  75           HE       ARG  75  83.108   5.303 -10.696
  578   HH11  ARG  75          HH21      ARG  75  80.257   4.791 -12.381
  579   HH12  ARG  75          HH22      ARG  75  80.981   4.672 -13.951
  580   HH21  ARG  75          HH11      ARG  75  84.230   4.610 -12.740
  581   HH22  ARG  75          HH12      ARG  75  83.231   4.577 -14.154
  582    H    VAL  76           HN       VAL  76  81.949   4.365  -5.658
  583    HA   VAL  76           HA       VAL  76  80.773   1.783  -4.814
  584    HB   VAL  76           HB       VAL  76  80.677   4.455  -3.406
  585   HG11  VAL  76          HG11      VAL  76  78.739   2.914  -3.008
  586   HG12  VAL  76          HG12      VAL  76  79.708   3.187  -1.564
  587   HG13  VAL  76          HG13      VAL  76  79.878   1.684  -2.469
  588   HG21  VAL  76          HG21      VAL  76  82.946   3.361  -3.490
  589   HG22  VAL  76          HG22      VAL  76  82.237   1.953  -2.698
  590   HG23  VAL  76          HG23      VAL  76  82.288   3.503  -1.859
  591    H    THR  77           HN       THR  77  78.912   1.361  -5.850
  592    HA   THR  77           HA       THR  77  77.112   3.635  -6.508
  593    HB   THR  77           HB       THR  77  77.632   1.172  -8.184
  594    HG1  THR  77           HG1      THR  77  78.954   2.379  -9.300
  595   HG21  THR  77          HG21      THR  77  75.398   1.845  -8.559
  596   HG22  THR  77          HG22      THR  77  76.314   2.617  -9.853
  597   HG23  THR  77          HG23      THR  77  75.806   3.558  -8.451
  598    H    PHE  78           HN       PHE  78  75.083   3.440  -5.822
  599    HA   PHE  78           HA       PHE  78  73.971   0.755  -5.293
  600    HB2  PHE  78           HB2      PHE  78  74.690   1.535  -3.130
  601    HB3  PHE  78           HB1      PHE  78  74.007   3.132  -3.409
  602    HD1  PHE  78           HD2      PHE  78  72.724  -0.398  -3.746
  603    HD2  PHE  78           HD1      PHE  78  72.123   3.518  -2.084
  604    HE1  PHE  78           HE2      PHE  78  70.612  -1.163  -2.712
  605    HE2  PHE  78           HE1      PHE  78  70.010   2.746  -1.048
  606    HZ   PHE  78           HZ       PHE  78  69.257   0.405  -1.360
  607    H    LEU  79           HN       LEU  79  72.077   0.546  -6.359
  608    HA   LEU  79           HA       LEU  79  70.658   3.005  -7.227
  609    HB2  LEU  79           HB2      LEU  79  71.717   1.408  -8.933
  610    HB3  LEU  79           HB1      LEU  79  70.438   0.280  -8.506
  611    HG   LEU  79           HG       LEU  79  69.854   3.127  -9.374
  612   HD11  LEU  79          HD11      LEU  79  70.142   0.638 -11.064
  613   HD12  LEU  79          HD12      LEU  79  71.081   2.127 -11.189
  614   HD13  LEU  79          HD13      LEU  79  69.370   2.123 -11.621
  615   HD21  LEU  79          HD21      LEU  79  67.690   1.816 -10.133
  616   HD22  LEU  79          HD22      LEU  79  67.882   2.261  -8.443
  617   HD23  LEU  79          HD23      LEU  79  68.232   0.615  -8.962
  618    H    ALA  80           HN       ALA  80  69.208   3.260  -5.541
  619    HA   ALA  80           HA       ALA  80  67.304   1.056  -5.008
  620    HB1  ALA  80           HB1      ALA  80  68.415   2.105  -3.059
  621    HB2  ALA  80           HB2      ALA  80  66.672   2.331  -3.032
  622    HB3  ALA  80           HB3      ALA  80  67.728   3.656  -3.520
  623    H    GLY  81           HN       GLY  81  65.971   1.267  -6.833
  624    HA2  GLY  81           HA2      GLY  81  64.307   2.150  -8.170
  625    HA3  GLY  81           HA1      GLY  81  63.754   2.916  -6.683
  626    H    ASP  82           HN       ASP  82  63.054   4.672  -8.156
  627    HA   ASP  82           HA       ASP  82  64.557   6.193  -9.835
  628    HB2  ASP  82           HB2      ASP  82  62.483   7.057  -7.808
  629    HB3  ASP  82           HB1      ASP  82  63.166   8.160  -9.004
  630    H    MET  83           HN       MET  83  65.228   5.697  -6.551
  631    HA   MET  83           HA       MET  83  66.798   8.186  -6.297
  632    HB2  MET  83           HB2      MET  83  66.421   6.078  -4.172
  633    HB3  MET  83           HB1      MET  83  66.891   7.766  -3.982
  634    HG2  MET  83           HG2      MET  83  64.610   8.352  -5.014
  635    HG3  MET  83           HG1      MET  83  64.180   6.667  -4.719
  636    HE1  MET  83           HE1      MET  83  64.190   6.209  -0.978
  637    HE2  MET  83           HE2      MET  83  65.650   5.936  -1.923
  638    HE3  MET  83           HE3      MET  83  64.083   5.514  -2.600
  639    H    VAL  84           HN       VAL  84  68.927   8.182  -6.711
  640    HA   VAL  84           HA       VAL  84  70.444   5.653  -6.383
  641    HB   VAL  84           HB       VAL  84  71.632   6.050  -8.409
  642   HG11  VAL  84          HG11      VAL  84  68.780   6.773  -9.100
  643   HG12  VAL  84          HG12      VAL  84  69.212   5.173  -8.504
  644   HG13  VAL  84          HG13      VAL  84  69.904   5.767 -10.014
  645   HG21  VAL  84          HG21      VAL  84  71.970   8.417  -8.404
  646   HG22  VAL  84          HG22      VAL  84  70.236   8.738  -8.374
  647   HG23  VAL  84          HG23      VAL  84  70.988   8.089  -9.831
  648    H    THR  85           HN       THR  85  72.249   5.831  -5.208
  649    HA   THR  85           HA       THR  85  73.396   8.530  -4.721
  650    HB   THR  85           HB       THR  85  73.541   8.115  -2.437
  651    HG1  THR  85           HG1      THR  85  73.243   5.336  -2.843
  652   HG21  THR  85          HG21      THR  85  71.137   8.006  -3.151
  653   HG22  THR  85          HG22      THR  85  71.474   7.130  -1.657
  654   HG23  THR  85          HG23      THR  85  71.271   6.247  -3.169
  655    H    SER  86           HN       SER  86  75.625   8.669  -4.918
  656    HA   SER  86           HA       SER  86  77.250   6.246  -4.976
  657    HB2  SER  86           HB2      SER  86  77.138   8.028  -7.416
  658    HB3  SER  86           HB1      SER  86  78.117   6.580  -7.210
  659    HG   SER  86           HG       SER  86  75.307   6.539  -6.932
  660    H    ALA  87           HN       ALA  87  79.286   6.613  -4.324
  661    HA   ALA  87           HA       ALA  87  80.458   9.291  -4.524
  662    HB1  ALA  87           HB1      ALA  87  81.073   9.249  -2.106
  663    HB2  ALA  87           HB2      ALA  87  80.011   7.857  -1.899
  664    HB3  ALA  87           HB3      ALA  87  79.341   9.414  -2.386
  665    H    PHE  88           HN       PHE  88  82.743   9.301  -4.011
  666    HA   PHE  88           HA       PHE  88  84.029   6.932  -5.031
  667    HB2  PHE  88           HB2      PHE  88  85.215   9.542  -4.081
  668    HB3  PHE  88           HB1      PHE  88  86.025   8.317  -5.059
  669    HD1  PHE  88           HD1      PHE  88  85.269   7.861  -7.387
  670    HD2  PHE  88           HD2      PHE  88  83.597  11.051  -5.041
  671    HE1  PHE  88           HE1      PHE  88  84.313   8.872  -9.441
  672    HE2  PHE  88           HE2      PHE  88  82.647  12.063  -7.096
  673    HZ   PHE  88           HZ       PHE  88  83.003  10.974  -9.294
  674    H    LEU  89           HN       LEU  89  86.080   6.199  -4.083
  675    HA   LEU  89           HA       LEU  89  86.087   6.105  -1.122
  676    HB2  LEU  89           HB2      LEU  89  85.177   3.978  -1.928
  677    HB3  LEU  89           HB1      LEU  89  86.539   3.790  -3.030
  678    HG   LEU  89           HG       LEU  89  88.092   3.693  -1.109
  679   HD11  LEU  89          HD11      LEU  89  87.180   4.977   0.609
  680   HD12  LEU  89          HD12      LEU  89  86.847   3.346   1.188
  681   HD13  LEU  89          HD13      LEU  89  85.568   4.286   0.418
  682   HD21  LEU  89          HD21      LEU  89  87.087   1.609  -1.957
  683   HD22  LEU  89          HD22      LEU  89  85.734   1.803  -0.844
  684   HD23  LEU  89          HD23      LEU  89  87.357   1.514  -0.217
  685    H    THR  90           HN       THR  90  88.106   6.316  -0.218
  686    HA   THR  90           HA       THR  90  90.464   6.197  -1.995
  687    HB   THR  90           HB       THR  90  91.304   8.311  -0.967
  688    HG1  THR  90           HG1      THR  90  88.688   8.250   0.085
  689   HG21  THR  90          HG21      THR  90  89.946   9.776  -2.382
  690   HG22  THR  90          HG22      THR  90  88.668   8.560  -2.448
  691   HG23  THR  90          HG23      THR  90  90.229   8.244  -3.207
  692    H    VAL  91           HN       VAL  91  92.046   5.064  -1.110
  693    HA   VAL  91           HA       VAL  91  92.334   5.007   1.835
  694    HB   VAL  91           HB       VAL  91  92.188   2.614  -0.012
  695   HG11  VAL  91          HG11      VAL  91  92.719   1.283   2.055
  696   HG12  VAL  91          HG12      VAL  91  93.152   2.788   2.860
  697   HG13  VAL  91          HG13      VAL  91  94.079   2.230   1.467
  698   HG21  VAL  91          HG21      VAL  91  90.337   1.935   1.320
  699   HG22  VAL  91          HG22      VAL  91  90.077   3.652   1.034
  700   HG23  VAL  91          HG23      VAL  91  90.714   3.106   2.584
  701    H    ARG  92           HN       ARG  92  94.422   5.499   2.399
  702    HA   ARG  92           HA       ARG  92  96.493   5.391   0.337
  703    HB2  ARG  92           HB2      ARG  92  96.493   6.517   3.141
  704    HB3  ARG  92           HB1      ARG  92  97.844   6.622   2.014
  705    HG2  ARG  92           HG2      ARG  92  96.414   7.842   0.414
  706    HG3  ARG  92           HG1      ARG  92  95.067   7.744   1.550
  707    HD2  ARG  92           HD2      ARG  92  97.723   9.010   2.248
  708    HD3  ARG  92           HD1      ARG  92  96.362   9.926   1.608
  709    HE   ARG  92           HE       ARG  92  95.425   8.473   3.810
  710   HH11  ARG  92          HH21      ARG  92  98.405   9.873   4.011
  711   HH12  ARG  92          HH22      ARG  92  97.985  11.114   5.143
  712   HH21  ARG  92          HH11      ARG  92  94.576  10.572   4.887
  713   HH22  ARG  92          HH12      ARG  92  95.823  11.512   5.635
  714    H    GLY  93           HN       GLY  93  98.076   3.943   0.246
  715    HA2  GLY  93           HA2      GLY  93  99.039   2.545   2.589
  716    HA3  GLY  93           HA1      GLY  93  98.173   1.518   1.447
  717    H    GLY  94           HN       GLY  94 101.180   2.580   2.303
  718    HA2  GLY  94           HA2      GLY  94 102.359   2.869  -0.324
  719    HA3  GLY  94           HA1      GLY  94 103.223   2.801   1.210
  720    H    LEU  95           HN       LEU  95 104.596   1.429  -0.418
  721    HA   LEU  95           HA       LEU  95 103.660  -1.387  -0.413
  722    HB2  LEU  95           HB2      LEU  95 105.942  -0.214  -2.024
  723    HB3  LEU  95           HB1      LEU  95 105.219  -1.805  -2.198
  724    HG   LEU  95           HG       LEU  95 104.321  -0.493  -3.968
  725   HD11  LEU  95          HD11      LEU  95 102.707  -1.855  -2.470
  726   HD12  LEU  95          HD12      LEU  95 102.011  -0.704  -3.610
  727   HD13  LEU  95          HD13      LEU  95 102.138  -0.283  -1.903
  728   HD21  LEU  95          HD21      LEU  95 103.168   1.632  -2.189
  729   HD22  LEU  95          HD22      LEU  95 103.678   1.725  -3.869
  730   HD23  LEU  95          HD23      LEU  95 104.883   1.736  -2.587
  731    H    GLU  96           HN       GLU  96 104.552  -2.736   0.983
  732    HA   GLU  96           HA       GLU  96 106.800  -1.909   2.611
  733    HB2  GLU  96           HB2      GLU  96 104.911  -3.187   3.583
  734    HB3  GLU  96           HB1      GLU  96 105.317  -4.556   2.546
  735    HG2  GLU  96           HG2      GLU  96 107.544  -4.703   3.587
  736    HG3  GLU  96           HG1      GLU  96 107.172  -3.308   4.597
  737    H    HIS  97           HN       HIS  97 108.847  -2.153   1.975
  738    HA   HIS  97           HA       HIS  97 109.739  -4.640   0.778
  739    HB2  HIS  97           HB2      HIS  97 108.929  -3.375  -1.188
  740    HB3  HIS  97           HB1      HIS  97 110.022  -2.056  -0.768
  741    HD1  HIS  97           HD1      HIS  97 110.186  -5.776  -1.583
  742    HD2  HIS  97           HD2      HIS  97 112.582  -2.371  -1.776
  743    HE1  HIS  97           HE1      HIS  97 112.315  -6.465  -2.768
  744    H    HIS  98           HN       HIS  98 110.232  -1.980   2.714
  745    HA   HIS  98           HA       HIS  98 113.116  -2.587   2.933
  746    HB2  HIS  98           HB2      HIS  98 112.771  -0.534   1.514
  747    HB3  HIS  98           HB1      HIS  98 112.024   0.234   2.914
  748    HD1  HIS  98           HD1      HIS  98 113.565   1.107   4.741
  749    HD2  HIS  98           HD2      HIS  98 115.593  -1.162   1.892
  750    HE1  HIS  98           HE1      HIS  98 116.034   1.366   5.244
  751    H    HIS  99           HN       HIS  99 110.252  -2.594   4.405
  752    HA   HIS  99           HA       HIS  99 111.368  -1.877   7.066
  753    HB2  HIS  99           HB2      HIS  99 108.553  -1.569   6.003
  754    HB3  HIS  99           HB1      HIS  99 108.982  -1.410   7.706
  755    HD1  HIS  99           HD1      HIS  99 109.603   0.204   4.344
  756    HD2  HIS  99           HD2      HIS  99 110.228   1.011   8.385
  757    HE1  HIS  99           HE1      HIS  99 110.380   2.610   4.480
  758    H    HIS 100           HN       HIS 100 111.807  -4.408   6.085
  759    HA   HIS 100           HA       HIS 100 109.699  -6.195   6.984
  760    HB2  HIS 100           HB2      HIS 100 112.517  -6.746   6.020
  761    HB3  HIS 100           HB1      HIS 100 111.296  -7.976   6.354
  762    HD1  HIS 100           HD1      HIS 100 109.127  -7.936   4.810
  763    HD2  HIS 100           HD2      HIS 100 112.251  -5.485   3.538
  764    HE1  HIS 100           HE1      HIS 100 108.614  -7.307   2.410
  765    H    HIS 101           HN       HIS 101 112.519  -7.669   7.734
  766    HA   HIS 101           HA       HIS 101 111.988  -7.837  10.498
  767    HB2  HIS 101           HB2      HIS 101 113.192  -9.554   9.161
  768    HB3  HIS 101           HB1      HIS 101 114.564  -8.452   9.037
  769    HD1  HIS 101           HD1      HIS 101 116.233  -8.575  10.889
  770    HD2  HIS 101           HD2      HIS 101 112.543 -10.144  12.027
  771    HE1  HIS 101           HE1      HIS 101 116.540  -9.504  13.225
  772    H    HIS 102           HN       HIS 102 114.496  -6.048   8.695
  773    HA   HIS 102           HA       HIS 102 115.644  -4.894  11.047
  774    HB2  HIS 102           HB2      HIS 102 116.924  -3.522   9.448
  775    HB3  HIS 102           HB1      HIS 102 116.957  -5.228   9.008
  776    HD1  HIS 102           HD1      HIS 102 117.495  -3.483   6.692
  777    HD2  HIS 102           HD2      HIS 102 113.585  -4.324   7.867
  778    HE1  HIS 102           HE1      HIS 102 116.033  -3.066   4.666
  Start of MODEL   12
    1    H1   THR   1           HT1      THR   1  57.314   1.433  -3.080
    2    H2   THR   1           HT2      THR   1  56.812   3.014  -3.447
    3    H3   THR   1           HT3      THR   1  57.541   2.053  -4.642
    4    HA   THR   1           HA       THR   1  55.498   1.524  -5.294
    5    HB   THR   1           HB       THR   1  55.108   0.128  -2.645
    6    HG1  THR   1           HG1      THR   1  56.618  -1.103  -4.613
    7   HG21  THR   1          HG21      THR   1  53.498   0.018  -4.676
    8   HG22  THR   1          HG22      THR   1  53.992  -1.503  -3.934
    9   HG23  THR   1          HG23      THR   1  54.751  -0.965  -5.432
   10    H    ALA   2           HN       ALA   2  55.885   3.663  -2.897
   11    HA   ALA   2           HA       ALA   2  53.146   4.591  -3.044
   12    HB1  ALA   2           HB1      ALA   2  52.839   3.108  -1.190
   13    HB2  ALA   2           HB2      ALA   2  52.970   4.734  -0.519
   14    HB3  ALA   2           HB3      ALA   2  54.347   3.633  -0.441
   15    H    LYS   3           HN       LYS   3  56.377   4.896  -1.653
   16    HA   LYS   3           HA       LYS   3  56.581   7.635  -2.445
   17    HB2  LYS   3           HB2      LYS   3  55.185   7.801  -0.348
   18    HB3  LYS   3           HB1      LYS   3  56.552   7.107   0.532
   19    HG2  LYS   3           HG2      LYS   3  57.993   8.949  -0.205
   20    HG3  LYS   3           HG1      LYS   3  56.659   9.639  -1.134
   21    HD2  LYS   3           HD2      LYS   3  55.351   9.892   0.951
   22    HD3  LYS   3           HD1      LYS   3  56.709   9.239   1.869
   23    HE2  LYS   3           HE2      LYS   3  58.134  11.094   1.091
   24    HE3  LYS   3           HE1      LYS   3  56.783  11.749   0.168
   25    HZ1  LYS   3           HZ1      LYS   3  57.388  12.322   2.768
   26    HZ2  LYS   3           HZ2      LYS   3  56.086  11.239   2.890
   27    HZ3  LYS   3           HZ3      LYS   3  55.925  12.667   1.983
   28    H    ASN   4           HN       ASN   4  58.689   7.881  -2.970
   29    HA   ASN   4           HA       ASN   4  60.734   6.631  -1.266
   30    HB2  ASN   4           HB2      ASN   4  61.243   6.590  -4.206
   31    HB3  ASN   4           HB1      ASN   4  61.761   5.462  -2.952
   32   HD21  ASN   4          HD21      ASN   4  59.396   6.034  -5.407
   33   HD22  ASN   4          HD22      ASN   4  58.412   4.694  -5.067
   34    H    THR   5           HN       THR   5  61.831   8.397  -0.497
   35    HA   THR   5           HA       THR   5  62.662  10.439  -2.458
   36    HB   THR   5           HB       THR   5  61.454  11.014   0.266
   37    HG1  THR   5           HG1      THR   5  60.230  12.255  -1.687
   38   HG21  THR   5          HG21      THR   5  63.166  12.623  -0.150
   39   HG22  THR   5          HG22      THR   5  61.649  13.400  -0.604
   40   HG23  THR   5          HG23      THR   5  62.719  12.759  -1.851
   41    H    VAL   6           HN       VAL   6  64.793  10.275  -2.451
   42    HA   VAL   6           HA       VAL   6  66.333   9.114  -0.414
   43    HB   VAL   6           HB       VAL   6  67.023   9.456  -2.825
   44   HG11  VAL   6          HG11      VAL   6  66.399  11.975  -2.685
   45   HG12  VAL   6          HG12      VAL   6  67.865  11.535  -3.560
   46   HG13  VAL   6          HG13      VAL   6  67.977  12.176  -1.921
   47   HG21  VAL   6          HG21      VAL   6  69.432   9.926  -2.192
   48   HG22  VAL   6          HG22      VAL   6  68.653   8.666  -1.236
   49   HG23  VAL   6          HG23      VAL   6  68.861  10.282  -0.562
   50    H    VAL   7           HN       VAL   7  66.889   9.798   1.495
   51    HA   VAL   7           HA       VAL   7  66.522  12.590   2.264
   52    HB   VAL   7           HB       VAL   7  67.464  10.325   4.020
   53   HG11  VAL   7          HG11      VAL   7  66.561  11.643   5.791
   54   HG12  VAL   7          HG12      VAL   7  65.688  12.685   4.667
   55   HG13  VAL   7          HG13      VAL   7  67.447  12.776   4.769
   56   HG21  VAL   7          HG21      VAL   7  64.651  11.009   3.122
   57   HG22  VAL   7          HG22      VAL   7  65.003  10.012   4.535
   58   HG23  VAL   7          HG23      VAL   7  65.489   9.468   2.927
   59    H    ARG   8           HN       ARG   8  69.043  10.142   2.000
   60    HA   ARG   8           HA       ARG   8  71.082  12.200   1.749
   61    HB2  ARG   8           HB2      ARG   8  71.295  11.999   4.087
   62    HB3  ARG   8           HB1      ARG   8  71.007  10.261   4.057
   63    HG2  ARG   8           HG2      ARG   8  73.160   9.806   3.146
   64    HG3  ARG   8           HG1      ARG   8  73.428  11.488   2.697
   65    HD2  ARG   8           HD2      ARG   8  73.381  12.048   5.168
   66    HD3  ARG   8           HD1      ARG   8  73.307  10.319   5.500
   67    HE   ARG   8           HE       ARG   8  75.512  10.953   3.792
   68   HH11  ARG   8          HH11      ARG   8  75.249  12.728   6.450
   69   HH12  ARG   8          HH12      ARG   8  76.435  11.924   7.423
   70   HH21  ARG   8          HH21      ARG   8  76.686   9.179   5.313
   71   HH22  ARG   8          HH22      ARG   8  77.248   9.909   6.781
   72    H    GLY   9           HN       GLY   9  72.558  11.646   0.333
   73    HA2  GLY   9           HA2      GLY   9  72.578   8.905  -0.717
   74    HA3  GLY   9           HA1      GLY   9  73.236  10.334  -1.520
   75    H    LEU  10           HN       LEU  10  74.999   8.493  -1.627
   76    HA   LEU  10           HA       LEU  10  76.606   8.091   0.707
   77    HB2  LEU  10           HB2      LEU  10  77.197   7.697  -2.240
   78    HB3  LEU  10           HB1      LEU  10  78.205   7.102  -0.922
   79    HG   LEU  10           HG       LEU  10  75.266   6.403  -1.030
   80   HD11  LEU  10          HD11      LEU  10  77.520   4.915  -2.415
   81   HD12  LEU  10          HD12      LEU  10  76.197   5.760  -3.212
   82   HD13  LEU  10          HD13      LEU  10  75.865   4.331  -2.239
   83   HD21  LEU  10          HD21      LEU  10  76.178   4.331   0.110
   84   HD22  LEU  10          HD22      LEU  10  76.360   5.822   1.027
   85   HD23  LEU  10          HD23      LEU  10  77.743   5.138   0.170
   86    H    GLU  11           HN       GLU  11  78.835   8.899   0.972
   87    HA   GLU  11           HA       GLU  11  79.412  11.403  -0.474
   88    HB2  GLU  11           HB2      GLU  11  80.095  12.442   1.686
   89    HB3  GLU  11           HB1      GLU  11  78.363  12.129   1.587
   90    HG2  GLU  11           HG2      GLU  11  78.600  10.110   2.921
   91    HG3  GLU  11           HG1      GLU  11  80.355  10.278   2.927
   92    H    ASN  12           HN       ASN  12  81.703  12.161   0.327
   93    HA   ASN  12           HA       ASN  12  83.535  10.200  -0.527
   94    HB2  ASN  12           HB2      ASN  12  85.273  11.806   0.121
   95    HB3  ASN  12           HB1      ASN  12  83.965  12.604  -0.750
   96   HD21  ASN  12          HD21      ASN  12  85.323  14.386   0.691
   97   HD22  ASN  12          HD22      ASN  12  84.561  14.767   2.158
   98    H    VAL  13           HN       VAL  13  84.964   8.904   0.527
   99    HA   VAL  13           HA       VAL  13  84.937   8.842   3.483
  100    HB   VAL  13           HB       VAL  13  84.469   6.466   1.667
  101   HG11  VAL  13          HG11      VAL  13  86.029   5.638   3.238
  102   HG12  VAL  13          HG12      VAL  13  84.470   5.241   3.957
  103   HG13  VAL  13          HG13      VAL  13  85.379   6.634   4.541
  104   HG21  VAL  13          HG21      VAL  13  82.925   7.654   3.997
  105   HG22  VAL  13          HG22      VAL  13  82.485   6.171   3.148
  106   HG23  VAL  13          HG23      VAL  13  82.450   7.718   2.300
  107    H    GLU  14           HN       GLU  14  86.937   8.543   4.354
  108    HA   GLU  14           HA       GLU  14  89.122   7.597   2.595
  109    HB2  GLU  14           HB2      GLU  14  89.123  10.078   2.586
  110    HB3  GLU  14           HB1      GLU  14  89.274  10.065   4.344
  111    HG2  GLU  14           HG2      GLU  14  91.402   8.867   4.184
  112    HG3  GLU  14           HG1      GLU  14  91.240   8.769   2.432
  113    H    ALA  15           HN       ALA  15  90.543   6.274   3.561
  114    HA   ALA  15           HA       ALA  15  90.908   6.262   6.442
  115    HB1  ALA  15           HB1      ALA  15  89.797   3.809   5.058
  116    HB2  ALA  15           HB2      ALA  15  88.867   4.875   6.112
  117    HB3  ALA  15           HB3      ALA  15  90.221   3.952   6.764
  118    H    LEU  16           HN       LEU  16  92.756   5.101   7.089
  119    HA   LEU  16           HA       LEU  16  94.765   4.819   5.041
  120    HB2  LEU  16           HB2      LEU  16  96.186   4.086   7.004
  121    HB3  LEU  16           HB1      LEU  16  95.500   5.703   7.133
  122    HG   LEU  16           HG       LEU  16  93.762   3.539   8.230
  123   HD11  LEU  16          HD11      LEU  16  95.127   3.533  10.391
  124   HD12  LEU  16          HD12      LEU  16  96.466   4.158   9.425
  125   HD13  LEU  16          HD13      LEU  16  95.772   2.581   9.053
  126   HD21  LEU  16          HD21      LEU  16  94.741   6.037   9.625
  127   HD22  LEU  16          HD22      LEU  16  93.217   5.178   9.846
  128   HD23  LEU  16          HD23      LEU  16  93.494   6.118   8.381
  129    H    GLU  17           HN       GLU  17  96.077   2.837   4.795
  130    HA   GLU  17           HA       GLU  17  94.711   0.636   3.979
  131    HB2  GLU  17           HB2      GLU  17  96.796  -0.709   4.463
  132    HB3  GLU  17           HB1      GLU  17  97.032   0.736   3.486
  133    HG2  GLU  17           HG2      GLU  17  98.782   0.776   5.101
  134    HG3  GLU  17           HG1      GLU  17  97.598   1.940   5.688
  135    H    GLY  18           HN       GLY  18  94.514  -1.556   4.888
  136    HA2  GLY  18           HA2      GLY  18  93.442  -2.894   6.434
  137    HA3  GLY  18           HA1      GLY  18  94.746  -2.357   7.492
  138    H    GLY  19           HN       GLY  19  92.646   0.065   6.228
  139    HA2  GLY  19           HA2      GLY  19  91.673   0.673   8.906
  140    HA3  GLY  19           HA1      GLY  19  91.481   1.664   7.466
  141    H    GLU  20           HN       GLU  20  89.284   1.873   8.403
  142    HA   GLU  20           HA       GLU  20  87.497  -0.255   7.372
  143    HB2  GLU  20           HB2      GLU  20  87.640  -0.398   9.844
  144    HB3  GLU  20           HB1      GLU  20  87.143   1.290   9.956
  145    HG2  GLU  20           HG2      GLU  20  85.017   0.759   8.846
  146    HG3  GLU  20           HG1      GLU  20  85.520  -0.920   8.667
  147    H    ALA  21           HN       ALA  21  85.537   0.478   6.494
  148    HA   ALA  21           HA       ALA  21  85.145   3.408   6.322
  149    HB1  ALA  21           HB1      ALA  21  85.330   1.415   4.065
  150    HB2  ALA  21           HB2      ALA  21  86.164   2.958   4.240
  151    HB3  ALA  21           HB3      ALA  21  84.439   2.924   3.883
  152    H    LEU  22           HN       LEU  22  83.084   4.041   6.560
  153    HA   LEU  22           HA       LEU  22  80.923   2.022   6.372
  154    HB2  LEU  22           HB2      LEU  22  81.185   4.149   8.516
  155    HB3  LEU  22           HB1      LEU  22  79.851   3.017   8.334
  156    HG   LEU  22           HG       LEU  22  81.842   1.211   8.449
  157   HD11  LEU  22          HD11      LEU  22  83.508   1.967  10.165
  158   HD12  LEU  22          HD12      LEU  22  82.890   3.608   9.993
  159   HD13  LEU  22          HD13      LEU  22  83.672   2.813   8.627
  160   HD21  LEU  22          HD21      LEU  22  79.928   1.294   9.990
  161   HD22  LEU  22          HD22      LEU  22  80.671   2.634  10.863
  162   HD23  LEU  22          HD23      LEU  22  81.423   1.040  10.892
  163    H    PHE  23           HN       PHE  23  79.298   2.649   5.079
  164    HA   PHE  23           HA       PHE  23  79.041   5.538   4.429
  165    HB2  PHE  23           HB2      PHE  23  78.336   3.057   2.855
  166    HB3  PHE  23           HB1      PHE  23  77.780   4.657   2.420
  167    HD1  PHE  23           HD2      PHE  23  80.724   2.458   2.714
  168    HD2  PHE  23           HD1      PHE  23  79.295   6.334   1.536
  169    HE1  PHE  23           HE2      PHE  23  82.861   2.887   1.527
  170    HE2  PHE  23           HE1      PHE  23  81.428   6.758   0.346
  171    HZ   PHE  23           HZ       PHE  23  83.209   5.038   0.340
  172    H    GLU  24           HN       GLU  24  77.525   6.315   5.816
  173    HA   GLU  24           HA       GLU  24  75.115   4.718   6.386
  174    HB2  GLU  24           HB2      GLU  24  76.236   7.247   7.607
  175    HB3  GLU  24           HB1      GLU  24  74.708   6.508   8.092
  176    HG2  GLU  24           HG2      GLU  24  75.861   4.442   8.691
  177    HG3  GLU  24           HG1      GLU  24  77.391   5.106   8.128
  178    H    CYS  25           HN       CYS  25  73.517   4.954   4.991
  179    HA   CYS  25           HA       CYS  25  72.822   7.671   4.018
  180    HB2  CYS  25           HB2      CYS  25  72.937   5.023   2.612
  181    HB3  CYS  25           HB1      CYS  25  71.752   6.221   2.088
  182    HG   CYS  25           HG       CYS  25  74.645   7.266   2.334
  183    H    GLN  26           HN       GLN  26  70.624   8.196   3.971
  184    HA   GLN  26           HA       GLN  26  68.805   6.338   5.418
  185    HB2  GLN  26           HB2      GLN  26  68.990   9.356   5.481
  186    HB3  GLN  26           HB1      GLN  26  67.606   8.462   6.108
  187    HG2  GLN  26           HG2      GLN  26  69.036   7.276   7.683
  188    HG3  GLN  26           HG1      GLN  26  70.470   8.041   7.004
  189   HE21  GLN  26          HE21      GLN  26  70.555   8.694   9.481
  190   HE22  GLN  26          HE22      GLN  26  69.814  10.172   9.869
  191    H    LEU  27           HN       LEU  27  67.015   5.740   4.373
  192    HA   LEU  27           HA       LEU  27  66.226   7.222   1.926
  193    HB2  LEU  27           HB2      LEU  27  66.226   4.277   2.553
  194    HB3  LEU  27           HB1      LEU  27  65.161   4.928   1.313
  195    HG   LEU  27           HG       LEU  27  68.174   5.262   1.366
  196   HD11  LEU  27          HD11      LEU  27  67.928   3.711  -0.678
  197   HD12  LEU  27          HD12      LEU  27  66.305   3.366  -0.080
  198   HD13  LEU  27          HD13      LEU  27  67.712   2.968   0.909
  199   HD21  LEU  27          HD21      LEU  27  67.525   7.050   0.042
  200   HD22  LEU  27          HD22      LEU  27  65.962   6.340  -0.357
  201   HD23  LEU  27          HD23      LEU  27  67.423   5.797  -1.188
  202    H    SER  28           HN       SER  28  64.158   7.761   1.608
  203    HA   SER  28           HA       SER  28  62.323   7.353   3.861
  204    HB2  SER  28           HB2      SER  28  62.709   9.665   2.865
  205    HB3  SER  28           HB1      SER  28  61.882   9.073   1.428
  206    HG   SER  28           HG       SER  28  60.199   9.741   2.541
  207    H    GLN  29           HN       GLN  29  61.788   5.177   3.444
  208    HA   GLN  29           HA       GLN  29  59.628   4.689   1.721
  209    HB2  GLN  29           HB2      GLN  29  61.559   4.764   0.053
  210    HB3  GLN  29           HB1      GLN  29  62.176   3.316   0.845
  211    HG2  GLN  29           HG2      GLN  29  59.812   2.337   0.475
  212    HG3  GLN  29           HG1      GLN  29  59.584   3.668  -0.659
  213   HE21  GLN  29          HE21      GLN  29  62.356   3.705  -1.642
  214   HE22  GLN  29          HE22      GLN  29  62.567   2.292  -2.558
  215    HA   PRO  30           HA       PRO  30  60.280   1.753   5.213
  216    HB2  PRO  30           HB2      PRO  30  57.407   1.419   5.411
  217    HB3  PRO  30           HB1      PRO  30  58.496   2.223   6.552
  218    HG2  PRO  30           HG2      PRO  30  56.591   3.457   4.874
  219    HG3  PRO  30           HG1      PRO  30  57.829   4.260   5.850
  220    HD2  PRO  30           HD2      PRO  30  57.756   3.859   2.934
  221    HD3  PRO  30           HD1      PRO  30  58.784   4.945   3.888
  222    H    GLU  31           HN       GLU  31  59.865   1.350   2.162
  223    HA   GLU  31           HA       GLU  31  59.214  -1.530   2.322
  224    HB2  GLU  31           HB2      GLU  31  57.254  -0.220   1.447
  225    HB3  GLU  31           HB1      GLU  31  58.278   0.342   0.127
  226    HG2  GLU  31           HG2      GLU  31  58.610  -1.943  -0.645
  227    HG3  GLU  31           HG1      GLU  31  57.713  -2.573   0.735
  228    H    VAL  32           HN       VAL  32  60.107  -2.711   0.428
  229    HA   VAL  32           HA       VAL  32  61.662  -2.018  -1.600
  230    HB   VAL  32           HB       VAL  32  63.090  -0.530  -0.298
  231   HG11  VAL  32          HG11      VAL  32  64.159  -1.105   1.704
  232   HG12  VAL  32          HG12      VAL  32  64.091  -2.833   1.367
  233   HG13  VAL  32          HG13      VAL  32  62.640  -1.979   1.879
  234   HG21  VAL  32          HG21      VAL  32  65.184  -1.352  -0.990
  235   HG22  VAL  32          HG22      VAL  32  64.032  -2.111  -2.090
  236   HG23  VAL  32          HG23      VAL  32  64.695  -3.026  -0.739
  237    H    ALA  33           HN       ALA  33  61.563  -3.996  -2.502
  238    HA   ALA  33           HA       ALA  33  62.285  -6.358  -0.880
  239    HB1  ALA  33           HB1      ALA  33  61.252  -7.546  -2.938
  240    HB2  ALA  33           HB2      ALA  33  60.637  -5.950  -3.370
  241    HB3  ALA  33           HB3      ALA  33  60.165  -6.694  -1.844
  242    H    ALA  34           HN       ALA  34  62.899  -4.799  -4.019
  243    HA   ALA  34           HA       ALA  34  65.421  -6.367  -4.238
  244    HB1  ALA  34           HB1      ALA  34  63.636  -6.896  -5.947
  245    HB2  ALA  34           HB2      ALA  34  65.175  -6.359  -6.619
  246    HB3  ALA  34           HB3      ALA  34  63.813  -5.243  -6.535
  247    H    HIS  35           HN       HIS  35  67.256  -5.326  -4.746
  248    HA   HIS  35           HA       HIS  35  67.285  -2.534  -5.546
  249    HB2  HIS  35           HB2      HIS  35  69.026  -2.366  -3.401
  250    HB3  HIS  35           HB1      HIS  35  67.361  -1.793  -3.378
  251    HD1  HIS  35           HD1      HIS  35  65.541  -3.654  -2.579
  252    HD2  HIS  35           HD2      HIS  35  69.512  -4.410  -1.566
  253    HE1  HIS  35           HE1      HIS  35  65.482  -5.375  -0.726
  254    H    THR  36           HN       THR  36  69.597  -1.793  -5.892
  255    HA   THR  36           HA       THR  36  71.325  -4.106  -6.636
  256    HB   THR  36           HB       THR  36  70.871  -1.479  -8.069
  257    HG1  THR  36           HG1      THR  36  70.106  -4.126  -8.396
  258   HG21  THR  36          HG21      THR  36  73.189  -1.891  -8.316
  259   HG22  THR  36          HG22      THR  36  72.461  -2.590  -9.763
  260   HG23  THR  36          HG23      THR  36  72.950  -3.635  -8.430
  261    H    TRP  37           HN       TRP  37  72.838  -4.144  -5.056
  262    HA   TRP  37           HA       TRP  37  74.202  -1.612  -4.305
  263    HB2  TRP  37           HB2      TRP  37  73.528  -4.155  -2.874
  264    HB3  TRP  37           HB1      TRP  37  75.040  -3.379  -2.437
  265    HD1  TRP  37           HD1      TRP  37  71.265  -2.893  -2.284
  266    HE1  TRP  37           HE1      TRP  37  70.755  -0.975  -0.634
  267    HE3  TRP  37           HE3      TRP  37  75.993  -1.182  -1.446
  268    HZ2  TRP  37           HZ2      TRP  37  72.180   1.021   0.855
  269    HZ3  TRP  37           HZ3      TRP  37  76.399   0.723   0.079
  270    HH2  TRP  37           HH2      TRP  37  74.499   1.829   1.234
  271    H    LEU  38           HN       LEU  38  75.704  -1.562  -6.071
  272    HA   LEU  38           HA       LEU  38  77.731  -3.743  -6.020
  273    HB2  LEU  38           HB2      LEU  38  76.782  -2.214  -8.448
  274    HB3  LEU  38           HB1      LEU  38  78.021  -3.466  -8.424
  275    HG   LEU  38           HG       LEU  38  75.126  -3.880  -7.612
  276   HD11  LEU  38          HD11      LEU  38  76.570  -4.865 -10.093
  277   HD12  LEU  38          HD12      LEU  38  75.576  -3.407 -10.073
  278   HD13  LEU  38          HD13      LEU  38  74.844  -4.977  -9.742
  279   HD21  LEU  38          HD21      LEU  38  76.366  -5.549  -6.481
  280   HD22  LEU  38          HD22      LEU  38  77.562  -5.670  -7.767
  281   HD23  LEU  38          HD23      LEU  38  75.951  -6.351  -7.991
  282    H    LEU  39           HN       LEU  39  79.640  -3.107  -5.486
  283    HA   LEU  39           HA       LEU  39  80.488  -0.296  -5.885
  284    HB2  LEU  39           HB2      LEU  39  82.453  -1.444  -4.323
  285    HB3  LEU  39           HB1      LEU  39  81.057  -0.605  -3.679
  286    HG   LEU  39           HG       LEU  39  79.832  -2.798  -3.606
  287   HD11  LEU  39          HD11      LEU  39  82.599  -3.909  -4.174
  288   HD12  LEU  39          HD12      LEU  39  81.260  -3.934  -5.324
  289   HD13  LEU  39          HD13      LEU  39  81.159  -4.856  -3.831
  290   HD21  LEU  39          HD21      LEU  39  82.344  -2.259  -2.032
  291   HD22  LEU  39          HD22      LEU  39  81.420  -3.729  -1.729
  292   HD23  LEU  39          HD23      LEU  39  80.659  -2.152  -1.522
  293    H    ASP  40           HN       ASP  40  82.951  -2.676  -5.449
  294    HA   ASP  40           HA       ASP  40  84.026  -2.225  -8.038
  295    HB2  ASP  40           HB2      ASP  40  85.586  -4.016  -7.524
  296    HB3  ASP  40           HB1      ASP  40  85.366  -3.081  -6.047
  297    H    ASP  41           HN       ASP  41  84.120  -4.125  -9.640
  298    HA   ASP  41           HA       ASP  41  81.479  -4.819 -10.315
  299    HB2  ASP  41           HB2      ASP  41  84.112  -5.878 -11.353
  300    HB3  ASP  41           HB1      ASP  41  82.544  -6.268 -12.057
  301    H    GLU  42           HN       GLU  42  82.158  -5.818  -7.629
  302    HA   GLU  42           HA       GLU  42  81.537  -8.678  -8.099
  303    HB2  GLU  42           HB2      GLU  42  83.482  -7.509  -6.102
  304    HB3  GLU  42           HB1      GLU  42  82.750  -9.093  -5.855
  305    HG2  GLU  42           HG2      GLU  42  83.748  -9.978  -7.816
  306    HG3  GLU  42           HG1      GLU  42  84.136  -8.378  -8.447
  307    HA   PRO  43           HA       PRO  43  77.929  -7.525  -5.735
  308    HB2  PRO  43           HB2      PRO  43  77.663 -10.142  -4.494
  309    HB3  PRO  43           HB1      PRO  43  76.689  -9.444  -5.796
  310    HG2  PRO  43           HG2      PRO  43  78.714 -11.481  -5.975
  311    HG3  PRO  43           HG1      PRO  43  77.679 -10.843  -7.259
  312    HD2  PRO  43           HD2      PRO  43  80.482 -10.409  -6.952
  313    HD3  PRO  43           HD1      PRO  43  79.407  -9.625  -8.125
  314    H    VAL  44           HN       VAL  44  77.709  -6.619  -3.693
  315    HA   VAL  44           HA       VAL  44  79.969  -7.028  -1.887
  316    HB   VAL  44           HB       VAL  44  79.340  -4.759  -2.468
  317   HG11  VAL  44          HG11      VAL  44  76.784  -5.461  -2.523
  318   HG12  VAL  44          HG12      VAL  44  77.265  -3.810  -2.135
  319   HG13  VAL  44          HG13      VAL  44  76.830  -4.922  -0.844
  320   HG21  VAL  44          HG21      VAL  44  78.617  -5.126   0.429
  321   HG22  VAL  44          HG22      VAL  44  79.610  -3.875  -0.314
  322   HG23  VAL  44          HG23      VAL  44  80.240  -5.507  -0.142
  323    H    ARG  45           HN       ARG  45  79.542  -9.000  -1.097
  324    HA   ARG  45           HA       ARG  45  77.807  -9.045   1.239
  325    HB2  ARG  45           HB2      ARG  45  76.425 -10.119  -0.533
  326    HB3  ARG  45           HB1      ARG  45  77.747 -11.220  -0.894
  327    HG2  ARG  45           HG2      ARG  45  76.391 -12.503   0.530
  328    HG3  ARG  45           HG1      ARG  45  77.594 -11.862   1.643
  329    HD2  ARG  45           HD2      ARG  45  76.058 -10.072   2.313
  330    HD3  ARG  45           HD1      ARG  45  74.867 -10.631   1.145
  331    HE   ARG  45           HE       ARG  45  75.547 -11.898   3.696
  332   HH11  ARG  45          HH21      ARG  45  73.127 -11.324   1.458
  333   HH12  ARG  45          HH22      ARG  45  72.375 -12.880   1.582
  334   HH21  ARG  45          HH11      ARG  45  74.910 -14.247   3.510
  335   HH22  ARG  45          HH12      ARG  45  73.380 -14.531   2.749
  336    H    THR  46           HN       THR  46  79.453 -11.569  -0.518
  337    HA   THR  46           HA       THR  46  81.311 -12.837  -0.074
  338    HB   THR  46           HB       THR  46  83.272 -11.627   0.224
  339    HG1  THR  46           HG1      THR  46  83.539 -10.236   1.797
  340   HG21  THR  46          HG21      THR  46  81.515  -9.243  -0.276
  341   HG22  THR  46          HG22      THR  46  81.588 -10.547  -1.463
  342   HG23  THR  46          HG23      THR  46  83.053  -9.669  -1.023
  343    H    SER  47           HN       SER  47  82.832 -11.716   2.609
  344    HA   SER  47           HA       SER  47  81.186 -13.274   4.520
  345    HB2  SER  47           HB2      SER  47  84.181 -13.534   4.330
  346    HB3  SER  47           HB1      SER  47  83.047 -14.564   5.205
  347    HG   SER  47           HG       SER  47  83.092 -14.206   2.386
  348    H    GLU  48           HN       GLU  48  83.501 -13.116   6.419
  349    HA   GLU  48           HA       GLU  48  82.730 -10.849   7.855
  350    HB2  GLU  48           HB2      GLU  48  83.967 -12.788   8.809
  351    HB3  GLU  48           HB1      GLU  48  85.420 -12.235   7.979
  352    HG2  GLU  48           HG2      GLU  48  85.296 -10.084   9.207
  353    HG3  GLU  48           HG1      GLU  48  83.857 -10.657  10.046
  354    H    ASN  49           HN       ASN  49  85.441 -11.285   5.612
  355    HA   ASN  49           HA       ASN  49  86.675  -8.793   6.021
  356    HB2  ASN  49           HB2      ASN  49  87.776  -9.180   3.870
  357    HB3  ASN  49           HB1      ASN  49  87.751 -10.656   4.835
  358   HD21  ASN  49          HD21      ASN  49  87.946 -10.576   1.909
  359   HD22  ASN  49          HD22      ASN  49  86.559 -11.344   1.302
  360    H    ALA  50           HN       ALA  50  83.600  -9.224   5.017
  361    HA   ALA  50           HA       ALA  50  83.086  -6.587   4.320
  362    HB1  ALA  50           HB1      ALA  50  84.266  -6.674   2.293
  363    HB2  ALA  50           HB2      ALA  50  82.613  -7.016   1.793
  364    HB3  ALA  50           HB3      ALA  50  83.773  -8.338   1.969
  365    H    GLU  51           HN       GLU  51  80.898  -6.296   4.415
  366    HA   GLU  51           HA       GLU  51  78.935  -8.034   3.403
  367    HB2  GLU  51           HB2      GLU  51  79.746  -9.587   5.164
  368    HB3  GLU  51           HB1      GLU  51  79.420  -8.358   6.380
  369    HG2  GLU  51           HG2      GLU  51  77.033  -8.391   5.789
  370    HG3  GLU  51           HG1      GLU  51  77.354  -9.592   4.537
  371    H    VAL  52           HN       VAL  52  76.818  -7.073   3.615
  372    HA   VAL  52           HA       VAL  52  76.835  -4.435   4.897
  373    HB   VAL  52           HB       VAL  52  74.823  -5.576   2.955
  374   HG11  VAL  52          HG11      VAL  52  74.010  -3.571   3.901
  375   HG12  VAL  52          HG12      VAL  52  74.718  -3.073   2.365
  376   HG13  VAL  52          HG13      VAL  52  75.594  -2.803   3.866
  377   HG21  VAL  52          HG21      VAL  52  76.741  -5.830   1.656
  378   HG22  VAL  52          HG22      VAL  52  77.592  -4.512   2.463
  379   HG23  VAL  52          HG23      VAL  52  76.322  -4.153   1.292
  380    H    VAL  53           HN       VAL  53  75.005  -3.721   6.060
  381    HA   VAL  53           HA       VAL  53  72.975  -5.650   6.899
  382    HB   VAL  53           HB       VAL  53  73.397  -4.955   9.335
  383   HG11  VAL  53          HG11      VAL  53  75.004  -6.746   9.669
  384   HG12  VAL  53          HG12      VAL  53  75.544  -6.627   7.995
  385   HG13  VAL  53          HG13      VAL  53  73.920  -7.209   8.359
  386   HG21  VAL  53          HG21      VAL  53  75.715  -4.294   9.852
  387   HG22  VAL  53          HG22      VAL  53  74.950  -3.098   8.805
  388   HG23  VAL  53          HG23      VAL  53  76.096  -4.257   8.131
  389    H    PHE  54           HN       PHE  54  71.085  -4.585   7.781
  390    HA   PHE  54           HA       PHE  54  71.119  -1.656   7.913
  391    HB2  PHE  54           HB2      PHE  54  69.390  -1.341   6.271
  392    HB3  PHE  54           HB1      PHE  54  70.690  -2.255   5.512
  393    HD1  PHE  54           HD1      PHE  54  70.439  -4.674   5.076
  394    HD2  PHE  54           HD2      PHE  54  67.234  -2.330   6.720
  395    HE1  PHE  54           HE1      PHE  54  68.833  -6.481   4.520
  396    HE2  PHE  54           HE2      PHE  54  65.629  -4.140   6.167
  397    HZ   PHE  54           HZ       PHE  54  66.427  -6.212   5.064
  398    H    PHE  55           HN       PHE  55  69.421  -0.774   9.111
  399    HA   PHE  55           HA       PHE  55  67.530  -2.704  10.348
  400    HB2  PHE  55           HB2      PHE  55  68.822  -0.424  11.845
  401    HB3  PHE  55           HB1      PHE  55  67.946  -1.810  12.496
  402    HD1  PHE  55           HD1      PHE  55  68.958  -4.102  12.363
  403    HD2  PHE  55           HD2      PHE  55  71.136  -0.562  11.285
  404    HE1  PHE  55           HE1      PHE  55  71.088  -5.364  12.517
  405    HE2  PHE  55           HE2      PHE  55  73.264  -1.822  11.439
  406    HZ   PHE  55           HZ       PHE  55  73.241  -4.224  12.054
  407    H    GLU  56           HN       GLU  56  66.024  -1.247  11.839
  408    HA   GLU  56           HA       GLU  56  64.240   0.159  11.926
  409    HB2  GLU  56           HB2      GLU  56  66.002   1.933  10.222
  410    HB3  GLU  56           HB1      GLU  56  64.538   2.446  11.061
  411    HG2  GLU  56           HG2      GLU  56  66.978   1.261  12.415
  412    HG3  GLU  56           HG1      GLU  56  66.604   2.980  12.347
  413    H    ASN  57           HN       ASN  57  64.620  -1.773   9.645
  414    HA   ASN  57           HA       ASN  57  63.322  -2.526   7.920
  415    HB2  ASN  57           HB2      ASN  57  61.481  -1.546   9.366
  416    HB3  ASN  57           HB1      ASN  57  61.539  -0.132   8.317
  417   HD21  ASN  57          HD21      ASN  57  62.397  -2.658   6.342
  418   HD22  ASN  57          HD22      ASN  57  60.866  -3.064   5.731
  419    H    GLY  58           HN       GLY  58  65.567  -0.957   7.192
  420    HA2  GLY  58           HA2      GLY  58  66.339  -0.383   5.054
  421    HA3  GLY  58           HA1      GLY  58  64.682  -0.135   4.532
  422    H    LEU  59           HN       LEU  59  64.706   1.531   7.289
  423    HA   LEU  59           HA       LEU  59  64.849   4.071   6.016
  424    HB2  LEU  59           HB2      LEU  59  64.543   3.107   8.835
  425    HB3  LEU  59           HB1      LEU  59  64.912   4.809   8.565
  426    HG   LEU  59           HG       LEU  59  62.943   5.069   7.169
  427   HD11  LEU  59          HD11      LEU  59  62.850   2.068   7.383
  428   HD12  LEU  59          HD12      LEU  59  62.676   3.091   5.961
  429   HD13  LEU  59          HD13      LEU  59  61.355   2.966   7.120
  430   HD21  LEU  59          HD21      LEU  59  62.764   5.058   9.730
  431   HD22  LEU  59          HD22      LEU  59  62.065   3.447   9.567
  432   HD23  LEU  59          HD23      LEU  59  61.259   4.837   8.839
  433    H    ARG  60           HN       ARG  60  67.159   2.070   7.641
  434    HA   ARG  60           HA       ARG  60  69.268   4.093   7.129
  435    HB2  ARG  60           HB2      ARG  60  68.902   2.402   9.605
  436    HB3  ARG  60           HB1      ARG  60  70.451   3.126   9.172
  437    HG2  ARG  60           HG2      ARG  60  69.405   5.362   9.153
  438    HG3  ARG  60           HG1      ARG  60  67.853   4.641   9.583
  439    HD2  ARG  60           HD2      ARG  60  68.789   3.823  11.694
  440    HD3  ARG  60           HD1      ARG  60  70.374   4.458  11.261
  441    HE   ARG  60           HE       ARG  60  68.491   6.561  11.168
  442   HH11  ARG  60          HH11      ARG  60  68.362   4.532  13.732
  443   HH12  ARG  60          HH12      ARG  60  69.044   5.605  14.909
  444   HH21  ARG  60          HH21      ARG  60  70.119   7.925  12.565
  445   HH22  ARG  60          HH22      ARG  60  70.038   7.526  14.249
  446    H    HIS  61           HN       HIS  61  71.160   3.308   6.284
  447    HA   HIS  61           HA       HIS  61  71.413   0.382   5.900
  448    HB2  HIS  61           HB2      HIS  61  71.406   2.529   3.781
  449    HB3  HIS  61           HB1      HIS  61  72.308   1.037   3.534
  450    HD1  HIS  61           HD1      HIS  61  68.843   2.408   3.665
  451    HD2  HIS  61           HD2      HIS  61  70.670  -1.328   3.357
  452    HE1  HIS  61           HE1      HIS  61  67.034   0.781   2.959
  453    H    LEU  62           HN       LEU  62  73.330  -0.265   6.629
  454    HA   LEU  62           HA       LEU  62  75.606   1.637   6.618
  455    HB2  LEU  62           HB2      LEU  62  75.010  -0.684   8.476
  456    HB3  LEU  62           HB1      LEU  62  76.494   0.263   8.491
  457    HG   LEU  62           HG       LEU  62  74.857   2.324   8.724
  458   HD11  LEU  62          HD11      LEU  62  72.865   1.657  10.147
  459   HD12  LEU  62          HD12      LEU  62  73.148  -0.008   9.647
  460   HD13  LEU  62          HD13      LEU  62  72.736   1.219   8.447
  461   HD21  LEU  62          HD21      LEU  62  75.461   0.358  10.953
  462   HD22  LEU  62          HD22      LEU  62  74.880   2.002  11.223
  463   HD23  LEU  62          HD23      LEU  62  76.444   1.735  10.454
  464    H    LEU  63           HN       LEU  63  77.339   1.092   5.463
  465    HA   LEU  63           HA       LEU  63  77.541  -1.660   4.353
  466    HB2  LEU  63           HB2      LEU  63  77.196   0.309   2.762
  467    HB3  LEU  63           HB1      LEU  63  78.779   0.876   3.279
  468    HG   LEU  63           HG       LEU  63  79.548  -1.575   2.651
  469   HD11  LEU  63          HD11      LEU  63  76.992  -2.064   2.137
  470   HD12  LEU  63          HD12      LEU  63  78.253  -2.747   1.125
  471   HD13  LEU  63          HD13      LEU  63  77.378  -1.323   0.586
  472   HD21  LEU  63          HD21      LEU  63  78.982   0.729   0.776
  473   HD22  LEU  63          HD22      LEU  63  79.793  -0.728   0.207
  474   HD23  LEU  63          HD23      LEU  63  80.521   0.241   1.486
  475    H    LEU  64           HN       LEU  64  79.028  -2.753   5.782
  476    HA   LEU  64           HA       LEU  64  81.416  -1.220   6.550
  477    HB2  LEU  64           HB2      LEU  64  80.169  -2.141   8.395
  478    HB3  LEU  64           HB1      LEU  64  80.108  -3.726   7.631
  479    HG   LEU  64           HG       LEU  64  82.536  -3.966   7.858
  480   HD11  LEU  64          HD11      LEU  64  83.681  -2.157   9.313
  481   HD12  LEU  64          HD12      LEU  64  82.330  -1.122   8.851
  482   HD13  LEU  64          HD13      LEU  64  83.403  -1.780   7.615
  483   HD21  LEU  64          HD21      LEU  64  81.240  -4.722   9.747
  484   HD22  LEU  64          HD22      LEU  64  81.091  -3.078  10.368
  485   HD23  LEU  64          HD23      LEU  64  82.658  -3.886  10.380
  486    H    LEU  65           HN       LEU  65  83.145  -1.529   5.371
  487    HA   LEU  65           HA       LEU  65  83.741  -4.232   4.293
  488    HB2  LEU  65           HB2      LEU  65  84.466  -1.571   3.028
  489    HB3  LEU  65           HB1      LEU  65  84.816  -3.172   2.380
  490    HG   LEU  65           HG       LEU  65  82.032  -2.068   2.862
  491   HD11  LEU  65          HD11      LEU  65  83.247  -0.930   1.021
  492   HD12  LEU  65          HD12      LEU  65  81.908  -1.904   0.418
  493   HD13  LEU  65          HD13      LEU  65  83.562  -2.498   0.278
  494   HD21  LEU  65          HD21      LEU  65  81.833  -4.416   2.995
  495   HD22  LEU  65          HD22      LEU  65  83.110  -4.688   1.810
  496   HD23  LEU  65          HD23      LEU  65  81.530  -4.101   1.288
  497    H    LYS  66           HN       LYS  66  85.543  -5.050   5.286
  498    HA   LYS  66           HA       LYS  66  87.286  -3.194   6.724
  499    HB2  LYS  66           HB2      LYS  66  86.865  -6.188   6.827
  500    HB3  LYS  66           HB1      LYS  66  88.002  -5.304   7.843
  501    HG2  LYS  66           HG2      LYS  66  86.233  -4.030   8.862
  502    HG3  LYS  66           HG1      LYS  66  85.055  -4.645   7.708
  503    HD2  LYS  66           HD2      LYS  66  84.721  -5.905   9.714
  504    HD3  LYS  66           HD1      LYS  66  85.560  -6.976   8.598
  505    HE2  LYS  66           HE2      LYS  66  86.469  -6.980  10.959
  506    HE3  LYS  66           HE1      LYS  66  87.662  -6.628   9.714
  507    HZ1  LYS  66           HZ1      LYS  66  86.345  -4.270  10.639
  508    HZ2  LYS  66           HZ2      LYS  66  88.007  -4.616  10.549
  509    HZ3  LYS  66           HZ3      LYS  66  87.109  -5.097  11.908
  510    H    ASN  67           HN       ASN  67  89.473  -4.773   7.013
  511    HA   ASN  67           HA       ASN  67  91.608  -4.818   6.045
  512    HB2  ASN  67           HB2      ASN  67  90.369  -7.068   5.710
  513    HB3  ASN  67           HB1      ASN  67  90.231  -6.580   4.022
  514   HD21  ASN  67          HD21      ASN  67  92.854  -6.465   6.508
  515   HD22  ASN  67          HD22      ASN  67  94.040  -7.126   5.488
  516    H    LEU  68           HN       LEU  68  90.418  -2.492   5.197
  517    HA   LEU  68           HA       LEU  68  90.328  -2.288   2.345
  518    HB2  LEU  68           HB2      LEU  68  90.590  -0.101   4.406
  519    HB3  LEU  68           HB1      LEU  68  90.091   0.103   2.726
  520    HG   LEU  68           HG       LEU  68  88.623  -1.585   4.778
  521   HD11  LEU  68          HD11      LEU  68  87.676   1.016   3.569
  522   HD12  LEU  68          HD12      LEU  68  88.628   0.988   5.055
  523   HD13  LEU  68          HD13      LEU  68  87.066   0.178   4.996
  524   HD21  LEU  68          HD21      LEU  68  88.049  -2.516   2.701
  525   HD22  LEU  68          HD22      LEU  68  88.202  -0.978   1.851
  526   HD23  LEU  68          HD23      LEU  68  86.806  -1.283   2.885
  527    H    ARG  69           HN       ARG  69  92.080  -2.558   1.138
  528    HA   ARG  69           HA       ARG  69  94.658  -1.388   1.997
  529    HB2  ARG  69           HB2      ARG  69  94.515  -3.071  -0.469
  530    HB3  ARG  69           HB1      ARG  69  95.717  -3.063   0.821
  531    HG2  ARG  69           HG2      ARG  69  93.866  -4.110   2.292
  532    HG3  ARG  69           HG1      ARG  69  93.035  -4.441   0.772
  533    HD2  ARG  69           HD2      ARG  69  95.115  -5.596  -0.038
  534    HD3  ARG  69           HD1      ARG  69  95.806  -5.383   1.566
  535    HE   ARG  69           HE       ARG  69  93.346  -6.641   1.925
  536   HH11  ARG  69          HH11      ARG  69  94.967  -7.643  -0.715
  537   HH12  ARG  69          HH12      ARG  69  95.483  -9.181  -0.108
  538   HH21  ARG  69          HH21      ARG  69  94.623  -8.468   3.176
  539   HH22  ARG  69          HH22      ARG  69  95.291  -9.647   2.096
  540    HA   PRO  70           HA       PRO  70  94.455   1.670  -1.139
  541    HB2  PRO  70           HB2      PRO  70  96.671   0.961  -2.877
  542    HB3  PRO  70           HB1      PRO  70  96.619   2.211  -1.625
  543    HG2  PRO  70           HG2      PRO  70  98.083  -0.172  -1.507
  544    HG3  PRO  70           HG1      PRO  70  97.725   0.900  -0.145
  545    HD2  PRO  70           HD2      PRO  70  96.503  -1.712  -0.839
  546    HD3  PRO  70           HD1      PRO  70  96.591  -0.896   0.740
  547    H    GLN  71           HN       GLN  71  94.956  -1.516  -2.497
  548    HA   GLN  71           HA       GLN  71  94.088  -1.111  -5.114
  549    HB2  GLN  71           HB2      GLN  71  94.998  -3.231  -4.669
  550    HB3  GLN  71           HB1      GLN  71  93.956  -3.496  -3.276
  551    HG2  GLN  71           HG2      GLN  71  92.725  -3.177  -6.014
  552    HG3  GLN  71           HG1      GLN  71  93.429  -4.725  -5.556
  553   HE21  GLN  71          HE21      GLN  71  90.571  -4.246  -6.016
  554   HE22  GLN  71          HE22      GLN  71  89.780  -4.554  -4.546
  555    H    ASP  72           HN       ASP  72  92.073  -2.101  -2.288
  556    HA   ASP  72           HA       ASP  72  89.657  -2.322  -3.456
  557    HB2  ASP  72           HB2      ASP  72  90.291  -2.569  -1.000
  558    HB3  ASP  72           HB1      ASP  72  89.992  -0.839  -0.858
  559    H    SER  73           HN       SER  73  91.273   0.812  -2.758
  560    HA   SER  73           HA       SER  73  89.215   2.566  -2.927
  561    HB2  SER  73           HB2      SER  73  91.798   2.866  -4.470
  562    HB3  SER  73           HB1      SER  73  90.737   4.164  -3.930
  563    HG   SER  73           HG       SER  73  92.093   2.294  -2.270
  564    H    CYS  74           HN       CYS  74  87.498   2.461  -4.176
  565    HA   CYS  74           HA       CYS  74  87.789   2.618  -7.061
  566    HB2  CYS  74           HB2      CYS  74  86.163   0.362  -5.861
  567    HB3  CYS  74           HB1      CYS  74  86.415   0.697  -7.574
  568    HG   CYS  74           HG       CYS  74  88.140  -1.145  -6.829
  569    H    ARG  75           HN       ARG  75  84.960   1.758  -7.358
  570    HA   ARG  75           HA       ARG  75  83.699   4.243  -6.376
  571    HB2  ARG  75           HB2      ARG  75  83.755   4.044  -8.778
  572    HB3  ARG  75           HB1      ARG  75  83.089   2.416  -8.704
  573    HG2  ARG  75           HG2      ARG  75  80.984   3.302  -7.774
  574    HG3  ARG  75           HG1      ARG  75  81.655   4.934  -7.805
  575    HD2  ARG  75           HD2      ARG  75  81.979   4.690 -10.264
  576    HD3  ARG  75           HD1      ARG  75  81.181   3.122 -10.180
  577    HE   ARG  75           HE       ARG  75  79.612   5.273  -9.056
  578   HH11  ARG  75          HH21      ARG  75  80.799   4.381 -12.125
  579   HH12  ARG  75          HH22      ARG  75  79.261   4.438 -12.916
  580   HH21  ARG  75          HH11      ARG  75  77.484   4.991  -9.991
  581   HH22  ARG  75          HH12      ARG  75  77.381   4.782 -11.706
  582    H    VAL  76           HN       VAL  76  81.963   4.184  -5.064
  583    HA   VAL  76           HA       VAL  76  80.704   1.554  -4.478
  584    HB   VAL  76           HB       VAL  76  81.183   3.928  -2.655
  585   HG11  VAL  76          HG11      VAL  76  79.566   1.398  -2.279
  586   HG12  VAL  76          HG12      VAL  76  79.016   3.065  -2.105
  587   HG13  VAL  76          HG13      VAL  76  80.134   2.377  -0.927
  588   HG21  VAL  76          HG21      VAL  76  82.128   1.052  -2.465
  589   HG22  VAL  76          HG22      VAL  76  82.547   2.368  -1.373
  590   HG23  VAL  76          HG23      VAL  76  83.119   2.392  -3.040
  591    H    THR  77           HN       THR  77  78.541   1.462  -4.968
  592    HA   THR  77           HA       THR  77  76.967   3.944  -4.889
  593    HB   THR  77           HB       THR  77  77.711   3.935  -7.179
  594    HG1  THR  77           HG1      THR  77  75.091   3.164  -6.600
  595   HG21  THR  77          HG21      THR  77  77.217   1.968  -8.642
  596   HG22  THR  77          HG22      THR  77  76.749   1.065  -7.202
  597   HG23  THR  77          HG23      THR  77  78.412   1.625  -7.392
  598    H    PHE  78           HN       PHE  78  74.799   3.685  -4.650
  599    HA   PHE  78           HA       PHE  78  73.701   0.961  -4.388
  600    HB2  PHE  78           HB2      PHE  78  74.204   1.452  -2.144
  601    HB3  PHE  78           HB1      PHE  78  73.814   3.157  -2.330
  602    HD1  PHE  78           HD2      PHE  78  71.737   0.245  -3.456
  603    HD2  PHE  78           HD1      PHE  78  72.207   3.457  -0.643
  604    HE1  PHE  78           HE2      PHE  78  69.457  -0.176  -2.594
  605    HE2  PHE  78           HE1      PHE  78  69.936   3.033   0.225
  606    HZ   PHE  78           HZ       PHE  78  68.550   1.219  -0.750
  607    H    LEU  79           HN       LEU  79  71.870   0.824  -5.570
  608    HA   LEU  79           HA       LEU  79  70.345   3.310  -6.137
  609    HB2  LEU  79           HB2      LEU  79  71.506   2.723  -8.118
  610    HB3  LEU  79           HB1      LEU  79  71.132   1.015  -7.927
  611    HG   LEU  79           HG       LEU  79  68.806   1.389  -8.460
  612   HD11  LEU  79          HD11      LEU  79  69.555   4.289  -8.124
  613   HD12  LEU  79          HD12      LEU  79  68.201   3.403  -7.421
  614   HD13  LEU  79          HD13      LEU  79  68.175   3.838  -9.126
  615   HD21  LEU  79          HD21      LEU  79  69.011   2.343 -10.736
  616   HD22  LEU  79          HD22      LEU  79  70.344   1.247 -10.371
  617   HD23  LEU  79          HD23      LEU  79  70.595   2.991 -10.312
  618    H    ALA  80           HN       ALA  80  68.634   3.125  -4.789
  619    HA   ALA  80           HA       ALA  80  66.930   0.701  -5.013
  620    HB1  ALA  80           HB1      ALA  80  67.368   0.840  -2.730
  621    HB2  ALA  80           HB2      ALA  80  65.913   1.827  -2.835
  622    HB3  ALA  80           HB3      ALA  80  67.499   2.597  -2.756
  623    H    GLY  81           HN       GLY  81  65.444   1.133  -6.567
  624    HA2  GLY  81           HA2      GLY  81  63.667   2.154  -7.633
  625    HA3  GLY  81           HA1      GLY  81  63.446   3.104  -6.165
  626    H    ASP  82           HN       ASP  82  62.872   4.800  -7.825
  627    HA   ASP  82           HA       ASP  82  64.686   5.880  -9.642
  628    HB2  ASP  82           HB2      ASP  82  62.222   6.357  -9.450
  629    HB3  ASP  82           HB1      ASP  82  62.597   7.417  -8.090
  630    H    MET  83           HN       MET  83  65.919   5.447  -6.900
  631    HA   MET  83           HA       MET  83  66.973   8.195  -6.495
  632    HB2  MET  83           HB2      MET  83  66.557   5.988  -4.464
  633    HB3  MET  83           HB1      MET  83  67.401   7.504  -4.143
  634    HG2  MET  83           HG2      MET  83  65.342   8.749  -4.794
  635    HG3  MET  83           HG1      MET  83  64.506   7.211  -4.997
  636    HE1  MET  83           HE1      MET  83  65.520   5.368  -2.470
  637    HE2  MET  83           HE2      MET  83  64.046   5.575  -3.407
  638    HE3  MET  83           HE3      MET  83  63.998   5.734  -1.652
  639    H    VAL  84           HN       VAL  84  69.089   8.369  -7.019
  640    HA   VAL  84           HA       VAL  84  70.786   5.934  -6.862
  641    HB   VAL  84           HB       VAL  84  70.392   6.438  -9.192
  642   HG11  VAL  84          HG11      VAL  84  70.738   8.615 -10.157
  643   HG12  VAL  84          HG12      VAL  84  71.404   9.240  -8.650
  644   HG13  VAL  84          HG13      VAL  84  69.692   8.833  -8.754
  645   HG21  VAL  84          HG21      VAL  84  72.756   5.916  -8.381
  646   HG22  VAL  84          HG22      VAL  84  73.085   7.645  -8.499
  647   HG23  VAL  84          HG23      VAL  84  72.652   6.730  -9.943
  648    H    THR  85           HN       THR  85  72.514   6.108  -5.635
  649    HA   THR  85           HA       THR  85  73.617   8.783  -4.982
  650    HB   THR  85           HB       THR  85  73.596   8.354  -2.693
  651    HG1  THR  85           HG1      THR  85  73.196   5.881  -2.238
  652   HG21  THR  85          HG21      THR  85  71.240   8.285  -3.577
  653   HG22  THR  85          HG22      THR  85  71.453   7.393  -2.071
  654   HG23  THR  85          HG23      THR  85  71.349   6.526  -3.600
  655    H    SER  86           HN       SER  86  75.843   8.887  -5.082
  656    HA   SER  86           HA       SER  86  77.437   6.438  -5.055
  657    HB2  SER  86           HB2      SER  86  77.086   8.143  -7.515
  658    HB3  SER  86           HB1      SER  86  78.506   7.128  -7.276
  659    HG   SER  86           HG       SER  86  76.729   5.474  -6.765
  660    H    ALA  87           HN       ALA  87  79.543   6.786  -4.453
  661    HA   ALA  87           HA       ALA  87  80.614   9.517  -4.431
  662    HB1  ALA  87           HB1      ALA  87  81.094   9.499  -2.072
  663    HB2  ALA  87           HB2      ALA  87  80.447   7.867  -1.904
  664    HB3  ALA  87           HB3      ALA  87  79.369   9.209  -2.285
  665    H    PHE  88           HN       PHE  88  82.881   9.605  -3.893
  666    HA   PHE  88           HA       PHE  88  84.326   7.409  -5.064
  667    HB2  PHE  88           HB2      PHE  88  85.284  10.013  -3.861
  668    HB3  PHE  88           HB1      PHE  88  86.299   8.868  -4.739
  669    HD1  PHE  88           HD1      PHE  88  85.512   8.191  -7.128
  670    HD2  PHE  88           HD2      PHE  88  84.112  11.677  -5.045
  671    HE1  PHE  88           HE1      PHE  88  84.791   9.189  -9.280
  672    HE2  PHE  88           HE2      PHE  88  83.392  12.674  -7.197
  673    HZ   PHE  88           HZ       PHE  88  83.731  11.430  -9.314
  674    H    LEU  89           HN       LEU  89  86.259   6.531  -4.128
  675    HA   LEU  89           HA       LEU  89  86.190   6.201  -1.185
  676    HB2  LEU  89           HB2      LEU  89  85.281   4.169  -2.254
  677    HB3  LEU  89           HB1      LEU  89  86.720   4.051  -3.261
  678    HG   LEU  89           HG       LEU  89  88.120   3.767  -1.251
  679   HD11  LEU  89          HD11      LEU  89  86.711   3.225   0.906
  680   HD12  LEU  89          HD12      LEU  89  85.488   4.236   0.137
  681   HD13  LEU  89          HD13      LEU  89  87.078   4.900   0.510
  682   HD21  LEU  89          HD21      LEU  89  87.012   1.816  -2.413
  683   HD22  LEU  89          HD22      LEU  89  85.750   1.879  -1.182
  684   HD23  LEU  89          HD23      LEU  89  87.415   1.519  -0.721
  685    H    THR  90           HN       THR  90  88.182   6.336  -0.205
  686    HA   THR  90           HA       THR  90  90.584   6.419  -1.934
  687    HB   THR  90           HB       THR  90  89.909   8.458   0.201
  688    HG1  THR  90           HG1      THR  90  88.883   8.500  -1.997
  689   HG21  THR  90          HG21      THR  90  92.267   8.137   0.198
  690   HG22  THR  90          HG22      THR  90  91.989   9.555  -0.811
  691   HG23  THR  90          HG23      THR  90  92.320   7.994  -1.560
  692    H    VAL  91           HN       VAL  91  92.062   5.052  -1.194
  693    HA   VAL  91           HA       VAL  91  92.410   4.740   1.717
  694    HB   VAL  91           HB       VAL  91  92.301   2.409  -0.212
  695   HG11  VAL  91          HG11      VAL  91  92.606   2.564   2.803
  696   HG12  VAL  91          HG12      VAL  91  93.863   2.090   1.659
  697   HG13  VAL  91          HG13      VAL  91  92.438   1.075   1.875
  698   HG21  VAL  91          HG21      VAL  91  90.345   3.330   1.919
  699   HG22  VAL  91          HG22      VAL  91  90.245   1.796   1.057
  700   HG23  VAL  91          HG23      VAL  91  90.058   3.314   0.179
  701    H    ARG  92           HN       ARG  92  94.487   5.087   2.225
  702    HA   ARG  92           HA       ARG  92  96.549   4.570   0.159
  703    HB2  ARG  92           HB2      ARG  92  96.125   6.978   0.524
  704    HB3  ARG  92           HB1      ARG  92  96.461   6.773   2.239
  705    HG2  ARG  92           HG2      ARG  92  98.429   7.677   1.098
  706    HG3  ARG  92           HG1      ARG  92  98.777   6.055   1.682
  707    HD2  ARG  92           HD2      ARG  92  98.623   5.119  -0.492
  708    HD3  ARG  92           HD1      ARG  92  97.780   6.530  -1.128
  709    HE   ARG  92           HE       ARG  92 100.126   7.620  -0.457
  710   HH11  ARG  92          HH21      ARG  92 100.589   4.403  -0.784
  711   HH12  ARG  92          HH22      ARG  92 101.516   4.446  -2.246
  712   HH21  ARG  92          HH11      ARG  92 100.811   7.778  -2.905
  713   HH22  ARG  92          HH12      ARG  92 101.642   6.359  -3.448
  714    H    GLY  93           HN       GLY  93  98.682   4.055   0.973
  715    HA2  GLY  93           HA2      GLY  93  98.567   2.457   3.458
  716    HA3  GLY  93           HA1      GLY  93  99.713   2.231   2.145
  717    H    GLY  94           HN       GLY  94  99.533   3.182   5.231
  718    HA2  GLY  94           HA2      GLY  94 101.360   5.475   5.082
  719    HA3  GLY  94           HA1      GLY  94 100.615   4.822   6.538
  720    H    LEU  95           HN       LEU  95 103.326   5.441   6.460
  721    HA   LEU  95           HA       LEU  95 104.553   2.752   6.700
  722    HB2  LEU  95           HB2      LEU  95 105.888   5.232   5.572
  723    HB3  LEU  95           HB1      LEU  95 106.672   3.683   5.873
  724    HG   LEU  95           HG       LEU  95 104.636   2.794   4.330
  725   HD11  LEU  95          HD11      LEU  95 103.794   5.211   4.129
  726   HD12  LEU  95          HD12      LEU  95 104.003   4.330   2.618
  727   HD13  LEU  95          HD13      LEU  95 105.211   5.509   3.124
  728   HD21  LEU  95          HD21      LEU  95 106.921   2.337   3.760
  729   HD22  LEU  95          HD22      LEU  95 107.246   4.037   3.425
  730   HD23  LEU  95          HD23      LEU  95 106.205   3.110   2.345
  731    H    GLU  96           HN       GLU  96 105.530   6.128   7.314
  732    HA   GLU  96           HA       GLU  96 105.756   5.527  10.197
  733    HB2  GLU  96           HB2      GLU  96 107.936   6.736   8.472
  734    HB3  GLU  96           HB1      GLU  96 107.956   6.698  10.235
  735    HG2  GLU  96           HG2      GLU  96 107.844   4.234  10.188
  736    HG3  GLU  96           HG1      GLU  96 107.818   4.270   8.426
  737    H    HIS  97           HN       HIS  97 107.061   8.310   8.520
  738    HA   HIS  97           HA       HIS  97 104.741   9.975   9.149
  739    HB2  HIS  97           HB2      HIS  97 106.218   9.919  11.203
  740    HB3  HIS  97           HB1      HIS  97 107.472  10.687  10.231
  741    HD1  HIS  97           HD1      HIS  97 107.142  13.156   9.575
  742    HD2  HIS  97           HD2      HIS  97 103.954  11.594  11.760
  743    HE1  HIS  97           HE1      HIS  97 105.694  15.126  10.235
  744    H    HIS  98           HN       HIS  98 104.526  11.646   7.734
  745    HA   HIS  98           HA       HIS  98 106.824  12.342   6.001
  746    HB2  HIS  98           HB2      HIS  98 104.020  11.832   4.982
  747    HB3  HIS  98           HB1      HIS  98 105.451  12.213   4.021
  748    HD1  HIS  98           HD1      HIS  98 107.473  10.378   4.256
  749    HD2  HIS  98           HD2      HIS  98 103.669   9.116   5.406
  750    HE1  HIS  98           HE1      HIS  98 107.549   7.847   4.332
  751    H    HIS  99           HN       HIS  99 107.136  14.461   5.983
  752    HA   HIS  99           HA       HIS  99 104.984  16.264   6.877
  753    HB2  HIS  99           HB2      HIS  99 106.764  17.915   7.157
  754    HB3  HIS  99           HB1      HIS  99 107.181  16.420   7.995
  755    HD1  HIS  99           HD1      HIS  99 107.999  18.369   4.858
  756    HD2  HIS  99           HD2      HIS  99 109.457  15.107   7.005
  757    HE1  HIS  99           HE1      HIS  99 110.240  17.781   3.833
  758    H    HIS 100           HN       HIS 100 104.000  17.656   5.552
  759    HA   HIS 100           HA       HIS 100 104.628  17.566   2.701
  760    HB2  HIS 100           HB2      HIS 100 102.547  19.013   2.554
  761    HB3  HIS 100           HB1      HIS 100 102.307  17.400   3.224
  762    HD1  HIS 100           HD1      HIS 100 102.302  21.023   4.154
  763    HD2  HIS 100           HD2      HIS 100 101.780  17.345   6.043
  764    HE1  HIS 100           HE1      HIS 100 101.362  21.526   6.451
  765    H    HIS 101           HN       HIS 101 106.260  18.848   2.073
  766    HA   HIS 101           HA       HIS 101 107.584  20.717   1.794
  767    HB2  HIS 101           HB2      HIS 101 105.496  21.495   0.713
  768    HB3  HIS 101           HB1      HIS 101 104.950  22.136   2.261
  769    HD1  HIS 101           HD1      HIS 101 106.206  24.223   3.209
  770    HD2  HIS 101           HD2      HIS 101 107.518  23.025  -0.563
  771    HE1  HIS 101           HE1      HIS 101 107.634  26.114   2.313
  772    H    HIS 102           HN       HIS 102 108.967  20.744   3.496
  773    HA   HIS 102           HA       HIS 102 108.130  22.194   5.953
  774    HB2  HIS 102           HB2      HIS 102 108.722  19.813   6.314
  775    HB3  HIS 102           HB1      HIS 102 110.318  20.126   5.631
  776    HD1  HIS 102           HD1      HIS 102 108.120  21.531   8.420
  777    HD2  HIS 102           HD2      HIS 102 112.148  20.898   7.551
  778    HE1  HIS 102           HE1      HIS 102 109.417  22.231  10.481
  Start of MODEL   13
    1    H1   THR   1           HT1      THR   1  53.261  -0.390  -1.216
    2    H2   THR   1           HT2      THR   1  54.850  -0.536  -0.634
    3    H3   THR   1           HT3      THR   1  54.450  -1.121  -2.178
    4    HA   THR   1           HA       THR   1  55.670   1.117  -2.000
    5    HB   THR   1           HB       THR   1  54.366   1.958  -3.957
    6    HG1  THR   1           HG1      THR   1  52.706  -0.117  -4.181
    7   HG21  THR   1          HG21      THR   1  54.600  -1.047  -4.138
    8   HG22  THR   1          HG22      THR   1  56.027  -0.014  -4.037
    9   HG23  THR   1          HG23      THR   1  54.909   0.155  -5.391
   10    H    ALA   2           HN       ALA   2  55.592   2.844  -0.680
   11    HA   ALA   2           HA       ALA   2  52.989   4.167  -0.212
   12    HB1  ALA   2           HB1      ALA   2  53.537   4.528   2.131
   13    HB2  ALA   2           HB2      ALA   2  55.067   3.674   1.936
   14    HB3  ALA   2           HB3      ALA   2  53.542   2.799   1.788
   15    H    LYS   3           HN       LYS   3  56.538   4.387  -0.163
   16    HA   LYS   3           HA       LYS   3  56.557   6.901  -1.441
   17    HB2  LYS   3           HB2      LYS   3  57.346   8.332   0.360
   18    HB3  LYS   3           HB1      LYS   3  55.764   7.689   0.791
   19    HG2  LYS   3           HG2      LYS   3  56.958   5.886   2.094
   20    HG3  LYS   3           HG1      LYS   3  58.465   6.747   1.783
   21    HD2  LYS   3           HD2      LYS   3  57.363   8.805   2.796
   22    HD3  LYS   3           HD1      LYS   3  56.077   7.728   3.350
   23    HE2  LYS   3           HE2      LYS   3  57.741   6.348   4.535
   24    HE3  LYS   3           HE1      LYS   3  59.025   7.423   3.978
   25    HZ1  LYS   3           HZ1      LYS   3  58.593   8.804   5.634
   26    HZ2  LYS   3           HZ2      LYS   3  57.466   7.693   6.251
   27    HZ3  LYS   3           HZ3      LYS   3  56.960   8.921   5.193
   28    H    ASN   4           HN       ASN   4  58.570   7.269  -2.290
   29    HA   ASN   4           HA       ASN   4  60.879   5.934  -1.057
   30    HB2  ASN   4           HB2      ASN   4  61.672   5.442  -3.421
   31    HB3  ASN   4           HB1      ASN   4  60.385   4.412  -2.803
   32   HD21  ASN   4          HD21      ASN   4  59.678   3.989  -5.061
   33   HD22  ASN   4          HD22      ASN   4  58.811   5.170  -5.916
   34    H    THR   5           HN       THR   5  62.050   7.687  -0.421
   35    HA   THR   5           HA       THR   5  62.748   9.657  -2.465
   36    HB   THR   5           HB       THR   5  61.197  10.286   0.060
   37    HG1  THR   5           HG1      THR   5  59.776  10.226  -1.503
   38   HG21  THR   5          HG21      THR   5  61.634  12.728  -0.794
   39   HG22  THR   5          HG22      THR   5  63.049  12.021  -1.574
   40   HG23  THR   5          HG23      THR   5  62.868  11.929   0.178
   41    H    VAL   6           HN       VAL   6  64.879   9.467  -2.348
   42    HA   VAL   6           HA       VAL   6  66.335   8.763  -0.021
   43    HB   VAL   6           HB       VAL   6  67.195   8.453  -2.329
   44   HG11  VAL   6          HG11      VAL   6  66.411  10.733  -3.124
   45   HG12  VAL   6          HG12      VAL   6  68.063  10.319  -3.580
   46   HG13  VAL   6          HG13      VAL   6  67.771  11.425  -2.239
   47   HG21  VAL   6          HG21      VAL   6  68.916  10.154  -0.504
   48   HG22  VAL   6          HG22      VAL   6  69.518   9.141  -1.815
   49   HG23  VAL   6          HG23      VAL   6  68.732   8.403  -0.419
   50    H    VAL   7           HN       VAL   7  67.187   9.907   1.580
   51    HA   VAL   7           HA       VAL   7  66.677  12.815   1.668
   52    HB   VAL   7           HB       VAL   7  67.436  10.878   3.872
   53   HG11  VAL   7          HG11      VAL   7  66.620  12.899   5.274
   54   HG12  VAL   7          HG12      VAL   7  66.866  13.843   3.803
   55   HG13  VAL   7          HG13      VAL   7  68.224  12.999   4.549
   56   HG21  VAL   7          HG21      VAL   7  65.106  11.143   4.596
   57   HG22  VAL   7          HG22      VAL   7  65.143  10.545   2.938
   58   HG23  VAL   7          HG23      VAL   7  64.794  12.245   3.256
   59    H    ARG   8           HN       ARG   8  69.170  10.356   1.933
   60    HA   ARG   8           HA       ARG   8  71.224  12.384   1.389
   61    HB2  ARG   8           HB2      ARG   8  71.594  12.343   3.686
   62    HB3  ARG   8           HB1      ARG   8  71.065  10.671   3.849
   63    HG2  ARG   8           HG2      ARG   8  73.124   9.832   2.915
   64    HG3  ARG   8           HG1      ARG   8  73.628  11.443   2.402
   65    HD2  ARG   8           HD2      ARG   8  74.817  10.831   4.445
   66    HD3  ARG   8           HD1      ARG   8  73.676  12.122   4.814
   67    HE   ARG   8           HE       ARG   8  72.430   9.625   5.262
   68   HH11  ARG   8          HH21      ARG   8  75.469  10.507   6.362
   69   HH12  ARG   8          HH22      ARG   8  75.081  10.469   8.049
   70   HH21  ARG   8          HH11      ARG   8  71.676  10.081   7.525
   71   HH22  ARG   8          HH12      ARG   8  72.934  10.230   8.705
   72    H    GLY   9           HN       GLY   9  72.576  11.726  -0.113
   73    HA2  GLY   9           HA2      GLY   9  72.536   8.942  -0.983
   74    HA3  GLY   9           HA1      GLY   9  73.269  10.309  -1.828
   75    H    LEU  10           HN       LEU  10  74.944   8.346  -1.783
   76    HA   LEU  10           HA       LEU  10  76.470   7.970   0.580
   77    HB2  LEU  10           HB2      LEU  10  77.230   7.639  -2.335
   78    HB3  LEU  10           HB1      LEU  10  78.139   6.997  -0.967
   79    HG   LEU  10           HG       LEU  10  75.206   6.344  -1.309
   80   HD11  LEU  10          HD11      LEU  10  76.027   5.592  -3.391
   81   HD12  LEU  10          HD12      LEU  10  76.128   4.157  -2.373
   82   HD13  LEU  10          HD13      LEU  10  77.579   5.103  -2.710
   83   HD21  LEU  10          HD21      LEU  10  76.026   4.225  -0.139
   84   HD22  LEU  10          HD22      LEU  10  76.067   5.697   0.826
   85   HD23  LEU  10          HD23      LEU  10  77.554   5.061   0.119
   86    H    GLU  11           HN       GLU  11  78.858   8.685   0.668
   87    HA   GLU  11           HA       GLU  11  79.339  11.281  -0.600
   88    HB2  GLU  11           HB2      GLU  11  80.019  12.128   1.779
   89    HB3  GLU  11           HB1      GLU  11  78.318  12.146   1.320
   90    HG2  GLU  11           HG2      GLU  11  79.537   9.762   2.717
   91    HG3  GLU  11           HG1      GLU  11  78.919  11.142   3.624
   92    H    ASN  12           HN       ASN  12  81.578  12.104   0.175
   93    HA   ASN  12           HA       ASN  12  83.486  10.154  -0.544
   94    HB2  ASN  12           HB2      ASN  12  83.810  12.843   0.802
   95    HB3  ASN  12           HB1      ASN  12  85.157  11.857   0.240
   96   HD21  ASN  12          HD21      ASN  12  83.873  14.543  -0.727
   97   HD22  ASN  12          HD22      ASN  12  83.723  14.302  -2.399
   98    H    VAL  13           HN       VAL  13  84.847   8.909   0.635
   99    HA   VAL  13           HA       VAL  13  84.646   9.007   3.587
  100    HB   VAL  13           HB       VAL  13  84.312   6.563   1.824
  101   HG11  VAL  13          HG11      VAL  13  85.834   5.868   3.537
  102   HG12  VAL  13          HG12      VAL  13  84.235   5.356   4.074
  103   HG13  VAL  13          HG13      VAL  13  84.978   6.797   4.768
  104   HG21  VAL  13          HG21      VAL  13  82.291   6.295   3.354
  105   HG22  VAL  13          HG22      VAL  13  82.222   7.684   2.265
  106   HG23  VAL  13          HG23      VAL  13  82.637   7.915   3.962
  107    H    GLU  14           HN       GLU  14  86.534   8.839   4.609
  108    HA   GLU  14           HA       GLU  14  88.968   8.331   2.998
  109    HB2  GLU  14           HB2      GLU  14  88.529   9.867   5.569
  110    HB3  GLU  14           HB1      GLU  14  90.124   9.483   4.927
  111    HG2  GLU  14           HG2      GLU  14  89.583  10.671   2.840
  112    HG3  GLU  14           HG1      GLU  14  87.977  11.046   3.465
  113    H    ALA  15           HN       ALA  15  90.729   7.144   4.149
  114    HA   ALA  15           HA       ALA  15  89.926   5.525   6.424
  115    HB1  ALA  15           HB1      ALA  15  88.896   4.120   4.863
  116    HB2  ALA  15           HB2      ALA  15  90.485   3.385   5.071
  117    HB3  ALA  15           HB3      ALA  15  90.152   4.381   3.655
  118    H    LEU  16           HN       LEU  16  91.612   3.724   6.698
  119    HA   LEU  16           HA       LEU  16  94.342   4.774   6.219
  120    HB2  LEU  16           HB2      LEU  16  93.061   3.908   8.800
  121    HB3  LEU  16           HB1      LEU  16  94.804   3.738   8.586
  122    HG   LEU  16           HG       LEU  16  93.554   6.371   7.854
  123   HD11  LEU  16          HD11      LEU  16  93.811   7.139  10.220
  124   HD12  LEU  16          HD12      LEU  16  94.109   5.469  10.700
  125   HD13  LEU  16          HD13      LEU  16  92.540   5.930  10.037
  126   HD21  LEU  16          HD21      LEU  16  95.703   7.233   8.606
  127   HD22  LEU  16          HD22      LEU  16  95.986   5.868   7.525
  128   HD23  LEU  16          HD23      LEU  16  96.140   5.658   9.269
  129    H    GLU  17           HN       GLU  17  95.774   3.361   5.563
  130    HA   GLU  17           HA       GLU  17  95.250   0.978   4.364
  131    HB2  GLU  17           HB2      GLU  17  97.439   2.150   4.335
  132    HB3  GLU  17           HB1      GLU  17  97.747   1.572   5.969
  133    HG2  GLU  17           HG2      GLU  17  98.872   0.081   4.441
  134    HG3  GLU  17           HG1      GLU  17  97.491  -0.788   5.102
  135    H    GLY  18           HN       GLY  18  94.401  -0.891   5.019
  136    HA2  GLY  18           HA2      GLY  18  94.027  -2.789   6.286
  137    HA3  GLY  18           HA1      GLY  18  95.271  -2.235   7.404
  138    H    GLY  19           HN       GLY  19  92.423  -0.385   6.448
  139    HA2  GLY  19           HA2      GLY  19  91.424  -0.548   9.247
  140    HA3  GLY  19           HA1      GLY  19  91.331   0.898   8.251
  141    H    GLU  20           HN       GLU  20  89.079   1.020   8.511
  142    HA   GLU  20           HA       GLU  20  87.545  -0.876   6.833
  143    HB2  GLU  20           HB2      GLU  20  85.667  -0.658   8.471
  144    HB3  GLU  20           HB1      GLU  20  87.067  -1.519   9.109
  145    HG2  GLU  20           HG2      GLU  20  86.609   1.447   9.539
  146    HG3  GLU  20           HG1      GLU  20  86.068   0.209  10.672
  147    H    ALA  21           HN       ALA  21  85.145   0.173   6.752
  148    HA   ALA  21           HA       ALA  21  85.247   3.080   6.408
  149    HB1  ALA  21           HB1      ALA  21  84.610   3.054   4.076
  150    HB2  ALA  21           HB2      ALA  21  84.540   1.297   4.072
  151    HB3  ALA  21           HB3      ALA  21  86.094   2.114   4.248
  152    H    LEU  22           HN       LEU  22  83.180   4.044   6.400
  153    HA   LEU  22           HA       LEU  22  80.868   2.203   6.663
  154    HB2  LEU  22           HB2      LEU  22  81.338   4.611   8.433
  155    HB3  LEU  22           HB1      LEU  22  80.029   3.440   8.544
  156    HG   LEU  22           HG       LEU  22  82.121   1.733   8.732
  157   HD11  LEU  22          HD11      LEU  22  83.855   2.749  10.189
  158   HD12  LEU  22          HD12      LEU  22  83.117   4.330   9.935
  159   HD13  LEU  22          HD13      LEU  22  83.841   3.467   8.579
  160   HD21  LEU  22          HD21      LEU  22  81.897   1.970  11.245
  161   HD22  LEU  22          HD22      LEU  22  80.369   1.790  10.383
  162   HD23  LEU  22          HD23      LEU  22  80.880   3.381  10.948
  163    H    PHE  23           HN       PHE  23  79.278   2.711   5.313
  164    HA   PHE  23           HA       PHE  23  79.021   5.520   4.379
  165    HB2  PHE  23           HB2      PHE  23  78.442   2.879   3.028
  166    HB3  PHE  23           HB1      PHE  23  77.744   4.390   2.452
  167    HD1  PHE  23           HD2      PHE  23  80.854   2.476   2.910
  168    HD2  PHE  23           HD1      PHE  23  79.127   6.133   1.470
  169    HE1  PHE  23           HE2      PHE  23  82.965   3.004   1.720
  170    HE2  PHE  23           HE1      PHE  23  81.233   6.662   0.277
  171    HZ   PHE  23           HZ       PHE  23  83.152   5.097   0.402
  172    H    GLU  24           HN       GLU  24  77.473   6.452   5.580
  173    HA   GLU  24           HA       GLU  24  75.063   4.900   6.308
  174    HB2  GLU  24           HB2      GLU  24  76.259   7.459   7.377
  175    HB3  GLU  24           HB1      GLU  24  74.665   6.864   7.853
  176    HG2  GLU  24           HG2      GLU  24  75.625   4.788   8.646
  177    HG3  GLU  24           HG1      GLU  24  77.222   5.265   8.076
  178    H    CYS  25           HN       CYS  25  73.434   5.064   4.967
  179    HA   CYS  25           HA       CYS  25  72.788   7.705   3.782
  180    HB2  CYS  25           HB2      CYS  25  71.630   5.961   2.037
  181    HB3  CYS  25           HB1      CYS  25  73.257   6.600   1.824
  182    HG   CYS  25           HG       CYS  25  72.604   3.713   2.360
  183    H    GLN  26           HN       GLN  26  70.659   8.329   3.792
  184    HA   GLN  26           HA       GLN  26  68.801   6.686   5.433
  185    HB2  GLN  26           HB2      GLN  26  69.011   9.685   5.056
  186    HB3  GLN  26           HB1      GLN  26  67.712   8.885   5.943
  187    HG2  GLN  26           HG2      GLN  26  69.357   7.925   7.499
  188    HG3  GLN  26           HG1      GLN  26  70.667   8.679   6.590
  189   HE21  GLN  26          HE21      GLN  26  68.816   9.122   9.327
  190   HE22  GLN  26          HE22      GLN  26  68.913  10.812   9.453
  191    H    LEU  27           HN       LEU  27  67.206   5.783   4.261
  192    HA   LEU  27           HA       LEU  27  66.236   7.185   1.821
  193    HB2  LEU  27           HB2      LEU  27  67.506   4.967   1.558
  194    HB3  LEU  27           HB1      LEU  27  66.108   4.205   2.306
  195    HG   LEU  27           HG       LEU  27  65.922   5.984  -0.148
  196   HD11  LEU  27          HD11      LEU  27  65.843   3.945  -1.481
  197   HD12  LEU  27          HD12      LEU  27  66.012   2.954  -0.032
  198   HD13  LEU  27          HD13      LEU  27  67.345   3.981  -0.559
  199   HD21  LEU  27          HD21      LEU  27  63.727   5.858   0.514
  200   HD22  LEU  27          HD22      LEU  27  63.971   4.404   1.477
  201   HD23  LEU  27          HD23      LEU  27  63.788   4.287  -0.269
  202    H    SER  28           HN       SER  28  64.128   7.692   1.767
  203    HA   SER  28           HA       SER  28  62.425   6.992   4.031
  204    HB2  SER  28           HB2      SER  28  62.661   9.312   2.789
  205    HB3  SER  28           HB1      SER  28  61.478   8.617   1.686
  206    HG   SER  28           HG       SER  28  60.751   9.809   3.685
  207    H    GLN  29           HN       GLN  29  61.929   4.847   3.736
  208    HA   GLN  29           HA       GLN  29  59.707   4.145   2.184
  209    HB2  GLN  29           HB2      GLN  29  61.531   4.265   0.380
  210    HB3  GLN  29           HB1      GLN  29  62.240   2.859   1.154
  211    HG2  GLN  29           HG2      GLN  29  60.011   1.708   0.915
  212    HG3  GLN  29           HG1      GLN  29  59.474   3.072  -0.048
  213   HE21  GLN  29          HE21      GLN  29  62.646   1.373  -0.020
  214   HE22  GLN  29          HE22      GLN  29  62.615   0.986  -1.672
  215    HA   PRO  30           HA       PRO  30  60.847   1.220   5.574
  216    HB2  PRO  30           HB2      PRO  30  58.059   1.134   6.379
  217    HB3  PRO  30           HB1      PRO  30  59.426   1.832   7.259
  218    HG2  PRO  30           HG2      PRO  30  57.336   3.266   6.080
  219    HG3  PRO  30           HG1      PRO  30  58.878   3.937   6.627
  220    HD2  PRO  30           HD2      PRO  30  57.972   3.339   3.854
  221    HD3  PRO  30           HD1      PRO  30  59.182   4.512   4.419
  222    H    GLU  31           HN       GLU  31  60.264   0.757   2.784
  223    HA   GLU  31           HA       GLU  31  59.320  -1.978   2.932
  224    HB2  GLU  31           HB2      GLU  31  57.250  -0.681   2.492
  225    HB3  GLU  31           HB1      GLU  31  58.021   0.048   1.082
  226    HG2  GLU  31           HG2      GLU  31  58.231  -2.114   0.008
  227    HG3  GLU  31           HG1      GLU  31  57.650  -2.935   1.455
  228    H    VAL  32           HN       VAL  32  59.846  -3.109   0.838
  229    HA   VAL  32           HA       VAL  32  61.873  -1.675  -0.765
  230    HB   VAL  32           HB       VAL  32  63.501  -3.309  -0.483
  231   HG11  VAL  32          HG11      VAL  32  63.900  -3.431   1.832
  232   HG12  VAL  32          HG12      VAL  32  62.182  -3.537   2.215
  233   HG13  VAL  32          HG13      VAL  32  62.870  -2.012   1.658
  234   HG21  VAL  32          HG21      VAL  32  62.287  -5.326  -0.965
  235   HG22  VAL  32          HG22      VAL  32  61.259  -5.120   0.453
  236   HG23  VAL  32          HG23      VAL  32  62.961  -5.542   0.649
  237    H    ALA  33           HN       ALA  33  61.476  -1.868  -2.871
  238    HA   ALA  33           HA       ALA  33  59.735  -4.093  -3.798
  239    HB1  ALA  33           HB1      ALA  33  58.913  -1.697  -4.067
  240    HB2  ALA  33           HB2      ALA  33  58.961  -2.671  -5.536
  241    HB3  ALA  33           HB3      ALA  33  60.225  -1.479  -5.228
  242    H    ALA  34           HN       ALA  34  62.643  -2.210  -4.459
  243    HA   ALA  34           HA       ALA  34  63.940  -4.433  -5.682
  244    HB1  ALA  34           HB1      ALA  34  64.141  -3.585  -7.947
  245    HB2  ALA  34           HB2      ALA  34  63.198  -2.155  -7.531
  246    HB3  ALA  34           HB3      ALA  34  62.430  -3.742  -7.543
  247    H    HIS  35           HN       HIS  35  66.055  -4.184  -5.271
  248    HA   HIS  35           HA       HIS  35  67.299  -1.566  -5.481
  249    HB2  HIS  35           HB2      HIS  35  68.285  -1.877  -3.109
  250    HB3  HIS  35           HB1      HIS  35  66.647  -1.249  -3.258
  251    HD1  HIS  35           HD1      HIS  35  66.484  -2.253  -0.735
  252    HD2  HIS  35           HD2      HIS  35  66.662  -5.058  -3.813
  253    HE1  HIS  35           HE1      HIS  35  65.679  -4.443   0.245
  254    H    THR  36           HN       THR  36  69.259  -1.760  -6.290
  255    HA   THR  36           HA       THR  36  70.696  -4.347  -5.986
  256    HB   THR  36           HB       THR  36  70.768  -2.459  -8.353
  257    HG1  THR  36           HG1      THR  36  69.365  -4.820  -7.781
  258   HG21  THR  36          HG21      THR  36  72.009  -4.388  -9.380
  259   HG22  THR  36          HG22      THR  36  72.043  -5.147  -7.788
  260   HG23  THR  36          HG23      THR  36  72.873  -3.614  -8.053
  261    H    TRP  37           HN       TRP  37  72.659  -4.212  -5.088
  262    HA   TRP  37           HA       TRP  37  73.944  -1.533  -4.861
  263    HB2  TRP  37           HB2      TRP  37  73.138  -2.811  -2.727
  264    HB3  TRP  37           HB1      TRP  37  74.536  -3.844  -3.009
  265    HD1  TRP  37           HD1      TRP  37  76.786  -1.947  -3.763
  266    HE1  TRP  37           HE1      TRP  37  77.648  -0.118  -2.182
  267    HE3  TRP  37           HE3      TRP  37  72.740  -1.465  -0.678
  268    HZ2  TRP  37           HZ2      TRP  37  76.762   1.352   0.088
  269    HZ3  TRP  37           HZ3      TRP  37  72.784   0.160   1.194
  270    HH2  TRP  37           HH2      TRP  37  74.783   1.576   1.583
  271    H    LEU  38           HN       LEU  38  75.788  -1.311  -5.969
  272    HA   LEU  38           HA       LEU  38  77.605  -3.585  -6.271
  273    HB2  LEU  38           HB2      LEU  38  76.360  -2.133  -8.607
  274    HB3  LEU  38           HB1      LEU  38  77.856  -3.045  -8.752
  275    HG   LEU  38           HG       LEU  38  75.215  -4.187  -7.777
  276   HD11  LEU  38          HD11      LEU  38  75.048  -5.247  -9.943
  277   HD12  LEU  38          HD12      LEU  38  76.633  -4.635 -10.418
  278   HD13  LEU  38          HD13      LEU  38  75.284  -3.518 -10.207
  279   HD21  LEU  38          HD21      LEU  38  76.662  -6.353  -8.466
  280   HD22  LEU  38          HD22      LEU  38  76.777  -5.649  -6.860
  281   HD23  LEU  38          HD23      LEU  38  78.007  -5.282  -8.067
  282    H    LEU  39           HN       LEU  39  79.478  -2.882  -5.559
  283    HA   LEU  39           HA       LEU  39  80.332  -0.103  -6.108
  284    HB2  LEU  39           HB2      LEU  39  82.232  -1.095  -4.399
  285    HB3  LEU  39           HB1      LEU  39  80.779  -0.298  -3.844
  286    HG   LEU  39           HG       LEU  39  79.659  -2.551  -3.740
  287   HD11  LEU  39          HD11      LEU  39  81.167  -3.749  -5.283
  288   HD12  LEU  39          HD12      LEU  39  81.168  -4.526  -3.705
  289   HD13  LEU  39          HD13      LEU  39  82.509  -3.495  -4.166
  290   HD21  LEU  39          HD21      LEU  39  82.167  -2.352  -2.058
  291   HD22  LEU  39          HD22      LEU  39  80.651  -3.153  -1.628
  292   HD23  LEU  39          HD23      LEU  39  80.715  -1.395  -1.765
  293    H    ASP  40           HN       ASP  40  82.840  -2.324  -5.423
  294    HA   ASP  40           HA       ASP  40  83.964  -2.137  -7.991
  295    HB2  ASP  40           HB2      ASP  40  85.477  -3.936  -7.293
  296    HB3  ASP  40           HB1      ASP  40  85.281  -2.804  -5.956
  297    H    ASP  41           HN       ASP  41  84.211  -4.164  -9.360
  298    HA   ASP  41           HA       ASP  41  81.670  -4.941 -10.246
  299    HB2  ASP  41           HB2      ASP  41  82.845  -6.339 -11.846
  300    HB3  ASP  41           HB1      ASP  41  83.676  -4.793 -11.688
  301    H    GLU  42           HN       GLU  42  81.954  -5.736  -7.430
  302    HA   GLU  42           HA       GLU  42  81.397  -8.622  -7.807
  303    HB2  GLU  42           HB2      GLU  42  83.177  -7.375  -5.712
  304    HB3  GLU  42           HB1      GLU  42  82.398  -8.932  -5.440
  305    HG2  GLU  42           HG2      GLU  42  83.455  -9.853  -7.435
  306    HG3  GLU  42           HG1      GLU  42  84.173  -8.289  -7.816
  307    HA   PRO  43           HA       PRO  43  77.622  -7.459  -5.708
  308    HB2  PRO  43           HB2      PRO  43  77.284 -10.039  -4.418
  309    HB3  PRO  43           HB1      PRO  43  76.415  -9.393  -5.815
  310    HG2  PRO  43           HG2      PRO  43  78.428 -11.428  -5.774
  311    HG3  PRO  43           HG1      PRO  43  77.545 -10.795  -7.167
  312    HD2  PRO  43           HD2      PRO  43  80.314 -10.364  -6.512
  313    HD3  PRO  43           HD1      PRO  43  79.399  -9.689  -7.873
  314    H    VAL  44           HN       VAL  44  77.065  -6.686  -3.603
  315    HA   VAL  44           HA       VAL  44  79.265  -6.832  -1.695
  316    HB   VAL  44           HB       VAL  44  76.711  -5.308  -1.223
  317   HG11  VAL  44          HG11      VAL  44  79.621  -4.915  -0.446
  318   HG12  VAL  44          HG12      VAL  44  78.334  -5.484   0.610
  319   HG13  VAL  44          HG13      VAL  44  78.304  -3.837  -0.012
  320   HG21  VAL  44          HG21      VAL  44  78.980  -4.671  -3.096
  321   HG22  VAL  44          HG22      VAL  44  78.086  -3.380  -2.297
  322   HG23  VAL  44          HG23      VAL  44  77.249  -4.502  -3.369
  323    H    ARG  45           HN       ARG  45  79.157  -8.862  -0.943
  324    HA   ARG  45           HA       ARG  45  77.315  -9.280   1.259
  325    HB2  ARG  45           HB2      ARG  45  76.179 -10.418  -0.625
  326    HB3  ARG  45           HB1      ARG  45  77.642 -11.315  -0.984
  327    HG2  ARG  45           HG2      ARG  45  76.401 -12.850   0.290
  328    HG3  ARG  45           HG1      ARG  45  77.467 -12.139   1.493
  329    HD2  ARG  45           HD2      ARG  45  75.104 -12.284   2.265
  330    HD3  ARG  45           HD1      ARG  45  75.704 -10.630   2.237
  331    HE   ARG  45           HE       ARG  45  74.298 -11.480  -0.171
  332   HH11  ARG  45          HH21      ARG  45  74.446  -8.627   0.738
  333   HH12  ARG  45          HH22      ARG  45  72.862  -8.351   1.382
  334   HH21  ARG  45          HH11      ARG  45  72.094 -11.731   1.632
  335   HH22  ARG  45          HH12      ARG  45  71.531 -10.112   1.888
  336    H    THR  46           HN       THR  46  79.187 -11.712  -0.279
  337    HA   THR  46           HA       THR  46  81.122 -12.816   0.254
  338    HB   THR  46           HB       THR  46  83.032 -11.484   0.471
  339    HG1  THR  46           HG1      THR  46  83.136  -9.973   1.912
  340   HG21  THR  46          HG21      THR  46  81.086  -9.407  -0.519
  341   HG22  THR  46          HG22      THR  46  81.411 -10.869  -1.453
  342   HG23  THR  46          HG23      THR  46  82.720  -9.746  -1.086
  343    H    SER  47           HN       SER  47  82.612 -11.287   2.752
  344    HA   SER  47           HA       SER  47  81.192 -12.886   4.813
  345    HB2  SER  47           HB2      SER  47  83.132 -13.984   5.339
  346    HB3  SER  47           HB1      SER  47  83.601 -13.531   3.704
  347    HG   SER  47           HG       SER  47  84.442 -12.553   6.148
  348    H    GLU  48           HN       GLU  48  83.130 -12.136   6.854
  349    HA   GLU  48           HA       GLU  48  81.894  -9.781   7.797
  350    HB2  GLU  48           HB2      GLU  48  84.503 -11.047   8.686
  351    HB3  GLU  48           HB1      GLU  48  83.625  -9.797   9.565
  352    HG2  GLU  48           HG2      GLU  48  82.836 -11.724  10.621
  353    HG3  GLU  48           HG1      GLU  48  81.598 -11.478   9.393
  354    H    ASN  49           HN       ASN  49  84.926 -10.305   6.061
  355    HA   ASN  49           HA       ASN  49  85.989  -7.689   6.410
  356    HB2  ASN  49           HB2      ASN  49  86.488  -9.640   4.150
  357    HB3  ASN  49           HB1      ASN  49  87.501  -8.265   4.580
  358   HD21  ASN  49          HD21      ASN  49  87.498 -11.521   4.852
  359   HD22  ASN  49          HD22      ASN  49  88.294 -11.705   6.341
  360    H    ALA  50           HN       ALA  50  83.147  -8.286   5.156
  361    HA   ALA  50           HA       ALA  50  82.694  -5.893   3.862
  362    HB1  ALA  50           HB1      ALA  50  82.543  -7.089   1.429
  363    HB2  ALA  50           HB2      ALA  50  83.916  -7.968   2.103
  364    HB3  ALA  50           HB3      ALA  50  83.976  -6.211   1.966
  365    H    GLU  51           HN       GLU  51  80.501  -5.725   3.925
  366    HA   GLU  51           HA       GLU  51  78.658  -7.542   2.927
  367    HB2  GLU  51           HB2      GLU  51  79.371  -9.105   4.701
  368    HB3  GLU  51           HB1      GLU  51  79.052  -7.880   5.921
  369    HG2  GLU  51           HG2      GLU  51  76.674  -7.884   5.339
  370    HG3  GLU  51           HG1      GLU  51  76.974  -9.029   4.031
  371    H    VAL  52           HN       VAL  52  76.507  -6.692   3.098
  372    HA   VAL  52           HA       VAL  52  76.381  -4.007   4.237
  373    HB   VAL  52           HB       VAL  52  74.163  -5.376   2.717
  374   HG11  VAL  52          HG11      VAL  52  73.763  -3.081   1.927
  375   HG12  VAL  52          HG12      VAL  52  75.202  -2.524   2.782
  376   HG13  VAL  52          HG13      VAL  52  73.811  -3.117   3.691
  377   HG21  VAL  52          HG21      VAL  52  76.695  -4.180   1.569
  378   HG22  VAL  52          HG22      VAL  52  75.259  -4.544   0.616
  379   HG23  VAL  52          HG23      VAL  52  76.157  -5.852   1.394
  380    H    VAL  53           HN       VAL  53  74.698  -3.423   5.695
  381    HA   VAL  53           HA       VAL  53  73.190  -5.596   6.980
  382    HB   VAL  53           HB       VAL  53  75.129  -5.535   8.348
  383   HG11  VAL  53          HG11      VAL  53  76.135  -3.503   7.491
  384   HG12  VAL  53          HG12      VAL  53  76.008  -3.370   9.247
  385   HG13  VAL  53          HG13      VAL  53  74.859  -2.523   8.215
  386   HG21  VAL  53          HG21      VAL  53  73.200  -3.623   9.699
  387   HG22  VAL  53          HG22      VAL  53  74.276  -4.784  10.473
  388   HG23  VAL  53          HG23      VAL  53  72.893  -5.353   9.541
  389    H    PHE  54           HN       PHE  54  71.305  -4.943   7.977
  390    HA   PHE  54           HA       PHE  54  70.375  -2.236   7.256
  391    HB2  PHE  54           HB2      PHE  54  69.011  -4.872   7.732
  392    HB3  PHE  54           HB1      PHE  54  68.093  -3.381   7.926
  393    HD1  PHE  54           HD2      PHE  54  70.684  -4.648   5.513
  394    HD2  PHE  54           HD1      PHE  54  66.832  -2.826   6.058
  395    HE1  PHE  54           HE2      PHE  54  70.418  -4.479   3.056
  396    HE2  PHE  54           HE1      PHE  54  66.570  -2.646   3.598
  397    HZ   PHE  54           HZ       PHE  54  68.361  -3.473   2.096
  398    H    PHE  55           HN       PHE  55  69.416  -0.879   8.646
  399    HA   PHE  55           HA       PHE  55  69.252  -1.572  11.506
  400    HB2  PHE  55           HB2      PHE  55  70.699   0.796  10.307
  401    HB3  PHE  55           HB1      PHE  55  70.096   0.809  11.963
  402    HD1  PHE  55           HD1      PHE  55  70.953  -0.808  13.626
  403    HD2  PHE  55           HD2      PHE  55  72.621  -0.524   9.681
  404    HE1  PHE  55           HE1      PHE  55  72.953  -2.061  14.385
  405    HE2  PHE  55           HE2      PHE  55  74.620  -1.784  10.434
  406    HZ   PHE  55           HZ       PHE  55  74.787  -2.546  12.791
  407    H    GLU  56           HN       GLU  56  67.553  -0.603  12.549
  408    HA   GLU  56           HA       GLU  56  65.450   0.276  12.727
  409    HB2  GLU  56           HB2      GLU  56  66.930   2.311  12.630
  410    HB3  GLU  56           HB1      GLU  56  66.543   2.437  10.923
  411    HG2  GLU  56           HG2      GLU  56  64.208   2.797  11.396
  412    HG3  GLU  56           HG1      GLU  56  64.424   2.352  13.085
  413    H    ASN  57           HN       ASN  57  65.843  -1.666  10.704
  414    HA   ASN  57           HA       ASN  57  64.590  -2.718   9.092
  415    HB2  ASN  57           HB2      ASN  57  62.696  -1.598  10.384
  416    HB3  ASN  57           HB1      ASN  57  62.701  -0.370   9.120
  417   HD21  ASN  57          HD21      ASN  57  60.430  -1.250   8.707
  418   HD22  ASN  57          HD22      ASN  57  60.281  -2.612   7.702
  419    H    GLY  58           HN       GLY  58  66.777  -0.986   8.286
  420    HA2  GLY  58           HA2      GLY  58  67.656  -0.642   6.138
  421    HA3  GLY  58           HA1      GLY  58  66.034  -0.715   5.474
  422    H    LEU  59           HN       LEU  59  65.610   1.336   7.895
  423    HA   LEU  59           HA       LEU  59  65.440   3.617   6.260
  424    HB2  LEU  59           HB2      LEU  59  64.329   3.041   8.545
  425    HB3  LEU  59           HB1      LEU  59  65.780   3.751   9.236
  426    HG   LEU  59           HG       LEU  59  65.282   5.771   7.655
  427   HD11  LEU  59          HD11      LEU  59  62.588   4.373   7.763
  428   HD12  LEU  59          HD12      LEU  59  63.505   4.781   6.315
  429   HD13  LEU  59          HD13      LEU  59  62.804   6.059   7.301
  430   HD21  LEU  59          HD21      LEU  59  63.742   5.041  10.154
  431   HD22  LEU  59          HD22      LEU  59  63.556   6.620   9.391
  432   HD23  LEU  59          HD23      LEU  59  65.131   6.115  10.002
  433    H    ARG  60           HN       ARG  60  68.055   2.140   7.868
  434    HA   ARG  60           HA       ARG  60  69.870   4.304   7.018
  435    HB2  ARG  60           HB2      ARG  60  69.948   3.015   9.756
  436    HB3  ARG  60           HB1      ARG  60  71.136   4.147   9.114
  437    HG2  ARG  60           HG2      ARG  60  69.391   5.877   8.915
  438    HG3  ARG  60           HG1      ARG  60  68.198   4.742   9.551
  439    HD2  ARG  60           HD2      ARG  60  68.970   6.150  11.374
  440    HD3  ARG  60           HD1      ARG  60  69.584   4.518  11.618
  441    HE   ARG  60           HE       ARG  60  71.754   5.291  11.163
  442   HH11  ARG  60          HH11      ARG  60  71.097   7.076   8.807
  443   HH12  ARG  60          HH12      ARG  60  71.471   8.647   9.433
  444   HH21  ARG  60          HH21      ARG  60  71.504   7.617  12.740
  445   HH22  ARG  60          HH22      ARG  60  71.701   8.954  11.657
  446    H    HIS  61           HN       HIS  61  70.485   2.911   5.330
  447    HA   HIS  61           HA       HIS  61  71.439   0.249   5.863
  448    HB2  HIS  61           HB2      HIS  61  71.633   2.009   3.408
  449    HB3  HIS  61           HB1      HIS  61  72.125   0.317   3.465
  450    HD1  HIS  61           HD1      HIS  61  69.270   2.373   2.689
  451    HD2  HIS  61           HD2      HIS  61  69.788  -1.396   4.402
  452    HE1  HIS  61           HE1      HIS  61  67.033   1.197   2.525
  453    H    LEU  62           HN       LEU  62  73.397  -0.265   6.655
  454    HA   LEU  62           HA       LEU  62  75.643   1.658   6.317
  455    HB2  LEU  62           HB2      LEU  62  74.819  -0.137   8.580
  456    HB3  LEU  62           HB1      LEU  62  76.537   0.174   8.351
  457    HG   LEU  62           HG       LEU  62  76.204   2.553   8.571
  458   HD11  LEU  62          HD11      LEU  62  73.825   3.341   9.205
  459   HD12  LEU  62          HD12      LEU  62  73.280   1.813   8.516
  460   HD13  LEU  62          HD13      LEU  62  74.130   2.983   7.507
  461   HD21  LEU  62          HD21      LEU  62  76.338   1.147  10.642
  462   HD22  LEU  62          HD22      LEU  62  74.575   1.132  10.700
  463   HD23  LEU  62          HD23      LEU  62  75.451   2.651  10.885
  464    H    LEU  63           HN       LEU  63  77.253   1.001   5.065
  465    HA   LEU  63           HA       LEU  63  77.577  -1.901   4.494
  466    HB2  LEU  63           HB2      LEU  63  77.023  -0.326   2.578
  467    HB3  LEU  63           HB1      LEU  63  78.582   0.441   2.858
  468    HG   LEU  63           HG       LEU  63  78.263  -2.530   2.352
  469   HD11  LEU  63          HD11      LEU  63  79.264  -1.738   0.032
  470   HD12  LEU  63          HD12      LEU  63  78.486  -0.213   0.449
  471   HD13  LEU  63          HD13      LEU  63  77.526  -1.686   0.320
  472   HD21  LEU  63          HD21      LEU  63  80.403  -2.340   3.213
  473   HD22  LEU  63          HD22      LEU  63  80.586  -0.658   2.722
  474   HD23  LEU  63          HD23      LEU  63  80.769  -1.949   1.537
  475    H    LEU  64           HN       LEU  64  79.225  -2.696   5.817
  476    HA   LEU  64           HA       LEU  64  81.403  -0.876   6.510
  477    HB2  LEU  64           HB2      LEU  64  80.176  -1.886   8.327
  478    HB3  LEU  64           HB1      LEU  64  80.411  -3.490   7.648
  479    HG   LEU  64           HG       LEU  64  82.825  -3.338   8.035
  480   HD11  LEU  64          HD11      LEU  64  82.117  -0.533   8.887
  481   HD12  LEU  64          HD12      LEU  64  83.337  -1.037   7.717
  482   HD13  LEU  64          HD13      LEU  64  83.597  -1.309   9.437
  483   HD21  LEU  64          HD21      LEU  64  81.477  -2.370  10.564
  484   HD22  LEU  64          HD22      LEU  64  82.772  -3.556  10.399
  485   HD23  LEU  64          HD23      LEU  64  81.132  -3.966   9.895
  486    H    LEU  65           HN       LEU  65  83.416  -1.148   5.843
  487    HA   LEU  65           HA       LEU  65  84.147  -3.597   4.348
  488    HB2  LEU  65           HB2      LEU  65  85.425  -0.849   4.227
  489    HB3  LEU  65           HB1      LEU  65  85.880  -2.252   3.265
  490    HG   LEU  65           HG       LEU  65  83.167  -0.894   3.204
  491   HD11  LEU  65          HD11      LEU  65  85.137  -1.007   0.920
  492   HD12  LEU  65          HD12      LEU  65  85.261   0.262   2.135
  493   HD13  LEU  65          HD13      LEU  65  83.794   0.108   1.172
  494   HD21  LEU  65          HD21      LEU  65  82.709  -3.117   2.616
  495   HD22  LEU  65          HD22      LEU  65  84.298  -3.364   1.893
  496   HD23  LEU  65          HD23      LEU  65  83.077  -2.414   1.043
  497    H    LYS  66           HN       LYS  66  86.642  -3.932   4.511
  498    HA   LYS  66           HA       LYS  66  87.880  -3.197   6.971
  499    HB2  LYS  66           HB2      LYS  66  86.132  -5.412   7.118
  500    HB3  LYS  66           HB1      LYS  66  87.737  -6.126   7.054
  501    HG2  LYS  66           HG2      LYS  66  88.459  -4.754   8.954
  502    HG3  LYS  66           HG1      LYS  66  86.903  -3.931   8.984
  503    HD2  LYS  66           HD2      LYS  66  87.141  -6.930   9.312
  504    HD3  LYS  66           HD1      LYS  66  87.237  -5.833  10.684
  505    HE2  LYS  66           HE2      LYS  66  84.985  -4.887   9.888
  506    HE3  LYS  66           HE1      LYS  66  84.890  -6.295   8.832
  507    HZ1  LYS  66           HZ1      LYS  66  83.841  -7.010  10.739
  508    HZ2  LYS  66           HZ2      LYS  66  84.910  -6.193  11.777
  509    HZ3  LYS  66           HZ3      LYS  66  85.416  -7.596  10.963
  510    H    ASN  67           HN       ASN  67  89.931  -4.810   7.205
  511    HA   ASN  67           HA       ASN  67  92.023  -5.110   6.182
  512    HB2  ASN  67           HB2      ASN  67  90.088  -6.869   4.672
  513    HB3  ASN  67           HB1      ASN  67  91.836  -6.974   4.468
  514   HD21  ASN  67          HD21      ASN  67  92.337  -6.350   7.383
  515   HD22  ASN  67          HD22      ASN  67  91.913  -7.764   8.216
  516    H    LEU  68           HN       LEU  68  90.828  -2.755   5.215
  517    HA   LEU  68           HA       LEU  68  90.650  -2.604   2.417
  518    HB2  LEU  68           HB2      LEU  68  91.344  -0.523   4.493
  519    HB3  LEU  68           HB1      LEU  68  91.031  -0.149   2.796
  520    HG   LEU  68           HG       LEU  68  89.094  -1.652   4.578
  521   HD11  LEU  68          HD11      LEU  68  89.340   0.576   5.475
  522   HD12  LEU  68          HD12      LEU  68  87.815   0.510   4.589
  523   HD13  LEU  68          HD13      LEU  68  89.221   1.288   3.866
  524   HD21  LEU  68          HD21      LEU  68  87.561  -0.615   2.618
  525   HD22  LEU  68          HD22      LEU  68  88.369  -2.167   2.441
  526   HD23  LEU  68          HD23      LEU  68  89.075  -0.722   1.721
  527    H    ARG  69           HN       ARG  69  92.067  -1.818   0.865
  528    HA   ARG  69           HA       ARG  69  94.916  -1.648   1.557
  529    HB2  ARG  69           HB2      ARG  69  94.482  -3.030  -1.014
  530    HB3  ARG  69           HB1      ARG  69  95.552  -3.469   0.315
  531    HG2  ARG  69           HG2      ARG  69  93.549  -4.382   1.533
  532    HG3  ARG  69           HG1      ARG  69  92.592  -4.068   0.083
  533    HD2  ARG  69           HD2      ARG  69  94.236  -5.479  -1.208
  534    HD3  ARG  69           HD1      ARG  69  94.976  -5.920   0.328
  535    HE   ARG  69           HE       ARG  69  92.185  -6.421   0.434
  536   HH11  ARG  69          HH21      ARG  69  94.122  -8.431   1.394
  537   HH12  ARG  69          HH22      ARG  69  94.031  -9.682   0.198
  538   HH21  ARG  69          HH11      ARG  69  92.496  -7.669  -2.172
  539   HH22  ARG  69          HH12      ARG  69  93.111  -9.249  -1.820
  540    HA   PRO  70           HA       PRO  70  94.810   1.621  -1.377
  541    HB2  PRO  70           HB2      PRO  70  96.894   0.793  -3.218
  542    HB3  PRO  70           HB1      PRO  70  97.002   1.975  -1.907
  543    HG2  PRO  70           HG2      PRO  70  98.235  -0.534  -1.952
  544    HG3  PRO  70           HG1      PRO  70  98.020   0.495  -0.529
  545    HD2  PRO  70           HD2      PRO  70  96.531  -1.956  -1.303
  546    HD3  PRO  70           HD1      PRO  70  96.757  -1.232   0.298
  547    H    GLN  71           HN       GLN  71  95.363  -1.386  -3.166
  548    HA   GLN  71           HA       GLN  71  94.228  -0.720  -5.605
  549    HB2  GLN  71           HB2      GLN  71  95.407  -2.847  -5.174
  550    HB3  GLN  71           HB1      GLN  71  94.046  -3.391  -4.190
  551    HG2  GLN  71           HG2      GLN  71  92.549  -3.299  -6.115
  552    HG3  GLN  71           HG1      GLN  71  93.825  -2.594  -7.110
  553   HE21  GLN  71          HE21      GLN  71  92.504  -5.104  -7.740
  554   HE22  GLN  71          HE22      GLN  71  93.676  -6.330  -7.647
  555    H    ASP  72           HN       ASP  72  92.579  -2.170  -2.762
  556    HA   ASP  72           HA       ASP  72  90.078  -2.495  -3.785
  557    HB2  ASP  72           HB2      ASP  72  91.121  -1.832  -1.056
  558    HB3  ASP  72           HB1      ASP  72  89.380  -1.842  -1.303
  559    H    SER  73           HN       SER  73  91.457   0.668  -2.670
  560    HA   SER  73           HA       SER  73  89.152   2.124  -2.504
  561    HB2  SER  73           HB2      SER  73  91.898   2.797  -3.539
  562    HB3  SER  73           HB1      SER  73  90.623   4.010  -3.523
  563    HG   SER  73           HG       SER  73  92.151   3.455  -1.557
  564    H    CYS  74           HN       CYS  74  87.591   2.784  -3.876
  565    HA   CYS  74           HA       CYS  74  88.021   3.223  -6.659
  566    HB2  CYS  74           HB2      CYS  74  86.914   1.361  -7.631
  567    HB3  CYS  74           HB1      CYS  74  88.080   0.693  -6.494
  568    HG   CYS  74           HG       CYS  74  86.139   0.253  -4.812
  569    H    ARG  75           HN       ARG  75  85.325   2.269  -7.393
  570    HA   ARG  75           HA       ARG  75  83.814   4.587  -6.401
  571    HB2  ARG  75           HB2      ARG  75  83.964   4.353  -8.807
  572    HB3  ARG  75           HB1      ARG  75  83.363   2.700  -8.725
  573    HG2  ARG  75           HG2      ARG  75  81.192   3.522  -7.856
  574    HG3  ARG  75           HG1      ARG  75  81.802   5.176  -7.905
  575    HD2  ARG  75           HD2      ARG  75  82.094   4.975 -10.342
  576    HD3  ARG  75           HD1      ARG  75  81.486   3.323 -10.274
  577    HE   ARG  75           HE       ARG  75  79.555   4.946  -9.081
  578   HH11  ARG  75          HH11      ARG  75  79.843   3.281 -11.861
  579   HH12  ARG  75          HH12      ARG  75  79.014   4.396 -12.894
  580   HH21  ARG  75          HH21      ARG  75  78.991   6.958 -10.559
  581   HH22  ARG  75          HH22      ARG  75  78.532   6.476 -12.158
  582    H    VAL  76           HN       VAL  76  81.888   4.492  -5.369
  583    HA   VAL  76           HA       VAL  76  80.758   1.823  -4.728
  584    HB   VAL  76           HB       VAL  76  80.649   4.302  -2.990
  585   HG11  VAL  76          HG11      VAL  76  79.896   2.530  -1.299
  586   HG12  VAL  76          HG12      VAL  76  79.691   1.448  -2.676
  587   HG13  VAL  76          HG13      VAL  76  78.740   2.929  -2.569
  588   HG21  VAL  76          HG21      VAL  76  82.400   1.836  -2.874
  589   HG22  VAL  76          HG22      VAL  76  82.154   2.903  -1.492
  590   HG23  VAL  76          HG23      VAL  76  82.916   3.521  -2.958
  591    H    THR  77           HN       THR  77  78.748   1.551  -5.506
  592    HA   THR  77           HA       THR  77  77.050   3.943  -5.922
  593    HB   THR  77           HB       THR  77  77.450   1.700  -7.913
  594    HG1  THR  77           HG1      THR  77  78.880   3.797  -7.506
  595   HG21  THR  77          HG21      THR  77  75.151   2.423  -7.959
  596   HG22  THR  77          HG22      THR  77  75.966   3.188  -9.321
  597   HG23  THR  77          HG23      THR  77  75.626   4.119  -7.862
  598    H    PHE  78           HN       PHE  78  75.029   3.740  -5.343
  599    HA   PHE  78           HA       PHE  78  73.878   1.083  -4.776
  600    HB2  PHE  78           HB2      PHE  78  74.541   2.118  -2.641
  601    HB3  PHE  78           HB1      PHE  78  73.671   3.586  -3.071
  602    HD1  PHE  78           HD2      PHE  78  72.921  -0.118  -3.075
  603    HD2  PHE  78           HD1      PHE  78  71.633   3.836  -1.964
  604    HE1  PHE  78           HE2      PHE  78  70.850  -1.062  -2.102
  605    HE2  PHE  78           HE1      PHE  78  69.571   2.881  -0.983
  606    HZ   PHE  78           HZ       PHE  78  69.176   0.434  -1.050
  607    H    LEU  79           HN       LEU  79  72.195   0.840  -6.117
  608    HA   LEU  79           HA       LEU  79  70.728   3.259  -7.023
  609    HB2  LEU  79           HB2      LEU  79  71.999   1.756  -8.666
  610    HB3  LEU  79           HB1      LEU  79  70.750   0.557  -8.362
  611    HG   LEU  79           HG       LEU  79  70.129   3.392  -9.249
  612   HD11  LEU  79          HD11      LEU  79  69.751   2.242 -11.510
  613   HD12  LEU  79          HD12      LEU  79  70.695   0.902 -10.861
  614   HD13  LEU  79          HD13      LEU  79  71.428   2.497 -11.025
  615   HD21  LEU  79          HD21      LEU  79  68.542   0.858  -8.867
  616   HD22  LEU  79          HD22      LEU  79  68.048   1.994 -10.121
  617   HD23  LEU  79          HD23      LEU  79  68.122   2.516  -8.443
  618    H    ALA  80           HN       ALA  80  69.132   3.432  -5.496
  619    HA   ALA  80           HA       ALA  80  67.336   1.108  -5.097
  620    HB1  ALA  80           HB1      ALA  80  68.298   2.150  -3.056
  621    HB2  ALA  80           HB2      ALA  80  66.540   2.244  -3.113
  622    HB3  ALA  80           HB3      ALA  80  67.510   3.667  -3.489
  623    H    GLY  81           HN       GLY  81  66.153   1.301  -6.992
  624    HA2  GLY  81           HA2      GLY  81  64.533   2.109  -8.420
  625    HA3  GLY  81           HA1      GLY  81  63.818   2.761  -6.950
  626    H    ASP  82           HN       ASP  82  63.059   4.585  -8.063
  627    HA   ASP  82           HA       ASP  82  64.182   6.312  -9.770
  628    HB2  ASP  82           HB2      ASP  82  62.489   6.937  -7.346
  629    HB3  ASP  82           HB1      ASP  82  62.812   8.089  -8.642
  630    H    MET  83           HN       MET  83  65.833   5.633  -6.965
  631    HA   MET  83           HA       MET  83  67.109   8.317  -6.914
  632    HB2  MET  83           HB2      MET  83  66.861   6.379  -4.606
  633    HB3  MET  83           HB1      MET  83  67.592   7.982  -4.568
  634    HG2  MET  83           HG2      MET  83  65.504   8.668  -3.888
  635    HG3  MET  83           HG1      MET  83  65.105   8.578  -5.600
  636    HE1  MET  83           HE1      MET  83  64.041   7.418  -2.109
  637    HE2  MET  83           HE2      MET  83  65.589   6.638  -2.407
  638    HE3  MET  83           HE3      MET  83  64.135   5.658  -2.228
  639    H    VAL  84           HN       VAL  84  69.212   8.412  -7.318
  640    HA   VAL  84           HA       VAL  84  70.824   5.930  -7.142
  641    HB   VAL  84           HB       VAL  84  70.438   6.340  -9.476
  642   HG11  VAL  84          HG11      VAL  84  70.816   8.498 -10.534
  643   HG12  VAL  84          HG12      VAL  84  71.362   9.191  -9.011
  644   HG13  VAL  84          HG13      VAL  84  69.678   8.708  -9.204
  645   HG21  VAL  84          HG21      VAL  84  72.668   6.534 -10.253
  646   HG22  VAL  84          HG22      VAL  84  72.834   5.928  -8.604
  647   HG23  VAL  84          HG23      VAL  84  73.115   7.634  -8.949
  648    H    THR  85           HN       THR  85  72.473   6.124  -5.792
  649    HA   THR  85           HA       THR  85  73.620   8.808  -5.239
  650    HB   THR  85           HB       THR  85  73.632   8.347  -2.949
  651    HG1  THR  85           HG1      THR  85  73.433   6.104  -2.247
  652   HG21  THR  85          HG21      THR  85  71.266   8.370  -3.773
  653   HG22  THR  85          HG22      THR  85  71.476   7.399  -2.318
  654   HG23  THR  85          HG23      THR  85  71.324   6.610  -3.882
  655    H    SER  86           HN       SER  86  75.892   8.876  -5.100
  656    HA   SER  86           HA       SER  86  77.455   6.443  -5.087
  657    HB2  SER  86           HB2      SER  86  78.551   6.989  -7.312
  658    HB3  SER  86           HB1      SER  86  76.916   6.343  -7.402
  659    HG   SER  86           HG       SER  86  76.283   8.167  -8.230
  660    H    ALA  87           HN       ALA  87  79.546   6.809  -4.398
  661    HA   ALA  87           HA       ALA  87  80.651   9.524  -4.527
  662    HB1  ALA  87           HB1      ALA  87  80.579   8.147  -1.852
  663    HB2  ALA  87           HB2      ALA  87  79.254   9.190  -2.372
  664    HB3  ALA  87           HB3      ALA  87  80.883   9.845  -2.226
  665    H    PHE  88           HN       PHE  88  82.903   9.630  -3.888
  666    HA   PHE  88           HA       PHE  88  84.389   7.386  -4.887
  667    HB2  PHE  88           HB2      PHE  88  85.459   9.880  -3.566
  668    HB3  PHE  88           HB1      PHE  88  86.327   8.787  -4.639
  669    HD1  PHE  88           HD2      PHE  88  85.094   8.369  -6.993
  670    HD2  PHE  88           HD1      PHE  88  84.586  11.828  -4.501
  671    HE1  PHE  88           HE2      PHE  88  84.318   9.675  -8.953
  672    HE2  PHE  88           HE1      PHE  88  83.810  13.131  -6.443
  673    HZ   PHE  88           HZ       PHE  88  83.675  12.056  -8.684
  674    H    LEU  89           HN       LEU  89  86.201   6.432  -3.830
  675    HA   LEU  89           HA       LEU  89  86.124   6.309  -0.875
  676    HB2  LEU  89           HB2      LEU  89  84.948   4.319  -1.644
  677    HB3  LEU  89           HB1      LEU  89  86.230   3.961  -2.794
  678    HG   LEU  89           HG       LEU  89  87.818   3.631  -0.909
  679   HD11  LEU  89          HD11      LEU  89  85.395   4.464   0.673
  680   HD12  LEU  89          HD12      LEU  89  87.085   4.916   0.898
  681   HD13  LEU  89          HD13      LEU  89  86.532   3.317   1.385
  682   HD21  LEU  89          HD21      LEU  89  86.776   1.525  -0.064
  683   HD22  LEU  89          HD22      LEU  89  86.625   1.703  -1.811
  684   HD23  LEU  89          HD23      LEU  89  85.241   2.034  -0.769
  685    H    THR  90           HN       THR  90  88.190   6.079   0.069
  686    HA   THR  90           HA       THR  90  90.507   5.645  -1.650
  687    HB   THR  90           HB       THR  90  90.140   8.272  -0.184
  688    HG1  THR  90           HG1      THR  90  90.035   9.123  -2.253
  689   HG21  THR  90          HG21      THR  90  92.417   7.052  -1.751
  690   HG22  THR  90          HG22      THR  90  92.453   7.735  -0.125
  691   HG23  THR  90          HG23      THR  90  92.272   8.795  -1.522
  692    H    VAL  91           HN       VAL  91  92.225   4.814  -0.558
  693    HA   VAL  91           HA       VAL  91  92.127   4.802   2.419
  694    HB   VAL  91           HB       VAL  91  93.076   2.492   0.700
  695   HG11  VAL  91          HG11      VAL  91  92.338   2.616   3.639
  696   HG12  VAL  91          HG12      VAL  91  93.987   2.750   3.031
  697   HG13  VAL  91          HG13      VAL  91  93.074   1.260   2.786
  698   HG21  VAL  91          HG21      VAL  91  91.002   1.394   1.015
  699   HG22  VAL  91          HG22      VAL  91  90.543   3.031   0.566
  700   HG23  VAL  91          HG23      VAL  91  90.482   2.534   2.255
  701    H    ARG  92           HN       ARG  92  93.860   5.839   3.154
  702    HA   ARG  92           HA       ARG  92  96.152   6.319   1.461
  703    HB2  ARG  92           HB2      ARG  92  95.552   7.125   4.307
  704    HB3  ARG  92           HB1      ARG  92  96.947   7.674   3.382
  705    HG2  ARG  92           HG2      ARG  92  95.471   8.693   1.710
  706    HG3  ARG  92           HG1      ARG  92  94.054   8.090   2.572
  707    HD2  ARG  92           HD2      ARG  92  94.410  10.411   3.196
  708    HD3  ARG  92           HD1      ARG  92  94.780   9.387   4.579
  709    HE   ARG  92           HE       ARG  92  97.127   9.891   3.032
  710   HH11  ARG  92          HH21      ARG  92  96.907   9.975   6.062
  711   HH12  ARG  92          HH22      ARG  92  97.184  11.653   6.392
  712   HH21  ARG  92          HH11      ARG  92  96.629  12.661   3.119
  713   HH22  ARG  92          HH12      ARG  92  97.029  13.171   4.726
  714    H    GLY  93           HN       GLY  93  97.887   5.108   1.322
  715    HA2  GLY  93           HA2      GLY  93  98.980   3.779   3.700
  716    HA3  GLY  93           HA1      GLY  93  98.571   2.760   2.322
  717    H    GLY  94           HN       GLY  94 101.103   4.077   3.776
  718    HA2  GLY  94           HA2      GLY  94 102.770   3.989   1.409
  719    HA3  GLY  94           HA1      GLY  94 102.666   5.582   2.153
  720    H    LEU  95           HN       LEU  95 103.729   5.983   4.083
  721    HA   LEU  95           HA       LEU  95 105.788   4.068   4.825
  722    HB2  LEU  95           HB2      LEU  95 105.124   6.904   5.613
  723    HB3  LEU  95           HB1      LEU  95 106.260   5.963   6.580
  724    HG   LEU  95           HG       LEU  95 107.585   5.520   4.495
  725   HD11  LEU  95          HD11      LEU  95 105.883   5.823   2.800
  726   HD12  LEU  95          HD12      LEU  95 107.114   7.059   2.557
  727   HD13  LEU  95          HD13      LEU  95 105.585   7.479   3.331
  728   HD21  LEU  95          HD21      LEU  95 108.428   7.899   4.291
  729   HD22  LEU  95          HD22      LEU  95 108.327   7.298   5.947
  730   HD23  LEU  95          HD23      LEU  95 107.089   8.389   5.327
  731    H    GLU  96           HN       GLU  96 105.778   2.756   6.577
  732    HA   GLU  96           HA       GLU  96 103.317   2.393   8.026
  733    HB2  GLU  96           HB2      GLU  96 106.036   1.097   8.350
  734    HB3  GLU  96           HB1      GLU  96 104.573   0.589   9.190
  735    HG2  GLU  96           HG2      GLU  96 104.845   0.709   6.173
  736    HG3  GLU  96           HG1      GLU  96 105.060  -0.757   7.126
  737    H    HIS  97           HN       HIS  97 106.493   3.758   8.708
  738    HA   HIS  97           HA       HIS  97 105.502   4.666  11.359
  739    HB2  HIS  97           HB2      HIS  97 108.329   3.949  10.543
  740    HB3  HIS  97           HB1      HIS  97 107.850   4.601  12.109
  741    HD1  HIS  97           HD1      HIS  97 106.204   3.075  13.562
  742    HD2  HIS  97           HD2      HIS  97 107.920   1.196  10.262
  743    HE1  HIS  97           HE1      HIS  97 105.851   0.589  13.890
  744    H    HIS  98           HN       HIS  98 104.790   6.672  10.773
  745    HA   HIS  98           HA       HIS  98 106.688   8.480   9.394
  746    HB2  HIS  98           HB2      HIS  98 104.785   9.837   8.835
  747    HB3  HIS  98           HB1      HIS  98 104.384   8.166   8.440
  748    HD1  HIS  98           HD1      HIS  98 102.702   6.927  10.039
  749    HD2  HIS  98           HD2      HIS  98 103.242  10.967  10.913
  750    HE1  HIS  98           HE1      HIS  98 100.838   7.572  11.629
  751    H    HIS  99           HN       HIS  99 105.098   7.868  12.415
  752    HA   HIS  99           HA       HIS  99 106.467  10.197  13.601
  753    HB2  HIS  99           HB2      HIS  99 104.123  10.879  13.167
  754    HB3  HIS  99           HB1      HIS  99 103.561   9.507  14.122
  755    HD1  HIS  99           HD1      HIS  99 103.628   9.723  16.655
  756    HD2  HIS  99           HD2      HIS  99 105.534  12.892  14.727
  757    HE1  HIS  99           HE1      HIS  99 104.177  11.427  18.448
  758    H    HIS 100           HN       HIS 100 107.343   9.782  15.586
  759    HA   HIS 100           HA       HIS 100 106.483   7.423  17.104
  760    HB2  HIS 100           HB2      HIS 100 108.949   6.745  17.286
  761    HB3  HIS 100           HB1      HIS 100 108.143   6.395  15.756
  762    HD1  HIS 100           HD1      HIS 100 111.173   7.808  16.971
  763    HD2  HIS 100           HD2      HIS 100 108.565   8.811  13.880
  764    HE1  HIS 100           HE1      HIS 100 112.478   9.288  15.387
  765    H    HIS 101           HN       HIS 101 109.644   8.613  17.659
  766    HA   HIS 101           HA       HIS 101 110.521   9.486  19.632
  767    HB2  HIS 101           HB2      HIS 101 110.031  11.398  18.004
  768    HB3  HIS 101           HB1      HIS 101 108.622  11.747  19.004
  769    HD1  HIS 101           HD1      HIS 101 109.091  12.452  21.521
  770    HD2  HIS 101           HD2      HIS 101 112.489  12.198  19.118
  771    HE1  HIS 101           HE1      HIS 101 110.952  13.625  22.781
  772    H    HIS 102           HN       HIS 102 109.129   7.763  20.851
  773    HA   HIS 102           HA       HIS 102 108.064   9.011  23.165
  774    HB2  HIS 102           HB2      HIS 102 106.116   9.424  21.735
  775    HB3  HIS 102           HB1      HIS 102 106.030   7.710  21.337
  776    HD1  HIS 102           HD1      HIS 102 105.019   6.129  23.087
  777    HD2  HIS 102           HD2      HIS 102 105.376  10.049  24.458
  778    HE1  HIS 102           HE1      HIS 102 103.733   6.245  25.264
  Start of MODEL   14
    1    H1   THR   1           HT1      THR   1  54.791  -0.573  -2.561
    2    H2   THR   1           HT2      THR   1  55.119  -0.459  -4.222
    3    H3   THR   1           HT3      THR   1  53.689   0.202  -3.591
    4    HA   THR   1           HA       THR   1  56.218   1.167  -2.494
    5    HB   THR   1           HB       THR   1  55.114   2.009  -5.191
    6    HG1  THR   1           HG1      THR   1  57.683   1.003  -4.628
    7   HG21  THR   1          HG21      THR   1  57.314   3.079  -3.420
    8   HG22  THR   1          HG22      THR   1  55.946   3.955  -4.104
    9   HG23  THR   1          HG23      THR   1  57.257   3.411  -5.150
   10    H    ALA   2           HN       ALA   2  55.936   3.432  -1.885
   11    HA   ALA   2           HA       ALA   2  53.219   4.502  -1.877
   12    HB1  ALA   2           HB1      ALA   2  53.162   3.077   0.086
   13    HB2  ALA   2           HB2      ALA   2  53.237   4.760   0.606
   14    HB3  ALA   2           HB3      ALA   2  54.683   3.752   0.663
   15    H    LYS   3           HN       LYS   3  56.599   4.788  -0.896
   16    HA   LYS   3           HA       LYS   3  56.751   7.486  -1.844
   17    HB2  LYS   3           HB2      LYS   3  55.629   7.784   0.390
   18    HB3  LYS   3           HB1      LYS   3  57.075   7.091   1.135
   19    HG2  LYS   3           HG2      LYS   3  58.463   8.853   0.176
   20    HG3  LYS   3           HG1      LYS   3  57.070   9.518  -0.680
   21    HD2  LYS   3           HD2      LYS   3  55.957   9.956   1.481
   22    HD3  LYS   3           HD1      LYS   3  57.367   9.318   2.326
   23    HE2  LYS   3           HE2      LYS   3  57.491  11.636   0.379
   24    HE3  LYS   3           HE1      LYS   3  57.347  11.839   2.125
   25    HZ1  LYS   3           HZ1      LYS   3  59.584  11.835   1.989
   26    HZ2  LYS   3           HZ2      LYS   3  59.618  10.966   0.531
   27    HZ3  LYS   3           HZ3      LYS   3  59.388  10.150   2.002
   28    H    ASN   4           HN       ASN   4  58.821   7.900  -2.444
   29    HA   ASN   4           HA       ASN   4  61.031   6.526  -1.086
   30    HB2  ASN   4           HB2      ASN   4  62.019   5.909  -3.240
   31    HB3  ASN   4           HB1      ASN   4  60.450   5.137  -3.043
   32   HD21  ASN   4          HD21      ASN   4  61.538   5.534  -5.645
   33   HD22  ASN   4          HD22      ASN   4  60.601   6.696  -6.453
   34    H    THR   5           HN       THR   5  62.218   8.262  -0.345
   35    HA   THR   5           HA       THR   5  62.939  10.320  -2.318
   36    HB   THR   5           HB       THR   5  61.713  10.978   0.367
   37    HG1  THR   5           HG1      THR   5  60.758  10.769  -2.214
   38   HG21  THR   5          HG21      THR   5  63.422  12.579  -0.172
   39   HG22  THR   5          HG22      THR   5  61.872  13.322  -0.565
   40   HG23  THR   5          HG23      THR   5  62.886  12.666  -1.850
   41    H    VAL   6           HN       VAL   6  65.053  10.248  -2.306
   42    HA   VAL   6           HA       VAL   6  66.644   9.305  -0.174
   43    HB   VAL   6           HB       VAL   6  67.227   9.574  -2.698
   44   HG11  VAL   6          HG11      VAL   6  66.869  12.115  -2.559
   45   HG12  VAL   6          HG12      VAL   6  68.315  11.549  -3.394
   46   HG13  VAL   6          HG13      VAL   6  68.436  12.164  -1.746
   47   HG21  VAL   6          HG21      VAL   6  69.698   9.853  -2.061
   48   HG22  VAL   6          HG22      VAL   6  68.818   8.557  -1.255
   49   HG23  VAL   6          HG23      VAL   6  69.126  10.070  -0.407
   50    H    VAL   7           HN       VAL   7  67.156  10.209   1.681
   51    HA   VAL   7           HA       VAL   7  66.700  13.074   2.109
   52    HB   VAL   7           HB       VAL   7  67.574  10.938   4.072
   53   HG11  VAL   7          HG11      VAL   7  66.412  13.719   4.414
   54   HG12  VAL   7          HG12      VAL   7  68.057  13.220   4.809
   55   HG13  VAL   7          HG13      VAL   7  66.697  12.577   5.729
   56   HG21  VAL   7          HG21      VAL   7  65.203  10.839   4.713
   57   HG22  VAL   7          HG22      VAL   7  65.386  10.426   3.006
   58   HG23  VAL   7          HG23      VAL   7  64.805  12.025   3.470
   59    H    ARG   8           HN       ARG   8  69.268  10.652   2.405
   60    HA   ARG   8           HA       ARG   8  71.286  12.673   1.793
   61    HB2  ARG   8           HB2      ARG   8  71.883  12.813   3.995
   62    HB3  ARG   8           HB1      ARG   8  70.920  11.415   4.429
   63    HG2  ARG   8           HG2      ARG   8  72.692   9.902   3.670
   64    HG3  ARG   8           HG1      ARG   8  73.660  11.276   3.121
   65    HD2  ARG   8           HD2      ARG   8  72.798  10.708   5.977
   66    HD3  ARG   8           HD1      ARG   8  74.420  10.488   5.330
   67    HE   ARG   8           HE       ARG   8  73.164  13.010   6.053
   68   HH11  ARG   8          HH21      ARG   8  74.303  13.529   3.363
   69   HH12  ARG   8          HH22      ARG   8  75.939  13.978   3.714
   70   HH21  ARG   8          HH11      ARG   8  75.889  12.672   6.925
   71   HH22  ARG   8          HH12      ARG   8  76.839  13.489   5.730
   72    H    GLY   9           HN       GLY   9  72.828  11.868   0.487
   73    HA2  GLY   9           HA2      GLY   9  72.629   9.032  -0.256
   74    HA3  GLY   9           HA1      GLY   9  73.353  10.318  -1.222
   75    H    LEU  10           HN       LEU  10  75.032   8.466  -1.260
   76    HA   LEU  10           HA       LEU  10  76.670   8.122   1.074
   77    HB2  LEU  10           HB2      LEU  10  77.278   7.565  -1.844
   78    HB3  LEU  10           HB1      LEU  10  78.213   6.972  -0.470
   79    HG   LEU  10           HG       LEU  10  75.251   6.396  -0.577
   80   HD11  LEU  10          HD11      LEU  10  75.762   4.289  -1.809
   81   HD12  LEU  10          HD12      LEU  10  77.411   4.860  -2.055
   82   HD13  LEU  10          HD13      LEU  10  76.065   5.723  -2.789
   83   HD21  LEU  10          HD21      LEU  10  75.832   4.535   0.791
   84   HD22  LEU  10          HD22      LEU  10  76.833   5.855   1.391
   85   HD23  LEU  10          HD23      LEU  10  77.534   4.629   0.342
   86    H    GLU  11           HN       GLU  11  78.979   8.824   1.174
   87    HA   GLU  11           HA       GLU  11  79.523  11.302  -0.337
   88    HB2  GLU  11           HB2      GLU  11  79.878  10.973   2.653
   89    HB3  GLU  11           HB1      GLU  11  80.300  12.395   1.699
   90    HG2  GLU  11           HG2      GLU  11  77.909  12.615   1.031
   91    HG3  GLU  11           HG1      GLU  11  77.522  11.253   2.085
   92    H    ASN  12           HN       ASN  12  81.879  11.985   0.222
   93    HA   ASN  12           HA       ASN  12  83.589   9.922  -0.645
   94    HB2  ASN  12           HB2      ASN  12  85.403  11.493  -0.223
   95    HB3  ASN  12           HB1      ASN  12  84.046  12.336  -0.965
   96   HD21  ASN  12          HD21      ASN  12  85.786  13.949   0.426
   97   HD22  ASN  12          HD22      ASN  12  85.117  14.420   1.911
   98    H    VAL  13           HN       VAL  13  85.048   8.641   0.421
   99    HA   VAL  13           HA       VAL  13  84.974   8.628   3.392
  100    HB   VAL  13           HB       VAL  13  84.671   6.285   1.507
  101   HG11  VAL  13          HG11      VAL  13  84.722   4.914   3.644
  102   HG12  VAL  13          HG12      VAL  13  85.399   6.330   4.444
  103   HG13  VAL  13          HG13      VAL  13  86.284   5.550   3.132
  104   HG21  VAL  13          HG21      VAL  13  83.037   7.380   3.810
  105   HG22  VAL  13          HG22      VAL  13  82.708   5.837   3.023
  106   HG23  VAL  13          HG23      VAL  13  82.577   7.341   2.106
  107    H    GLU  14           HN       GLU  14  86.936   8.637   4.299
  108    HA   GLU  14           HA       GLU  14  89.293   7.894   2.642
  109    HB2  GLU  14           HB2      GLU  14  88.964  10.202   4.572
  110    HB3  GLU  14           HB1      GLU  14  90.508   9.700   3.882
  111    HG2  GLU  14           HG2      GLU  14  89.655  10.103   1.623
  112    HG3  GLU  14           HG1      GLU  14  88.079  10.539   2.278
  113    H    ALA  15           HN       ALA  15  90.721   6.513   3.567
  114    HA   ALA  15           HA       ALA  15  90.997   6.331   6.445
  115    HB1  ALA  15           HB1      ALA  15  89.896   3.961   4.918
  116    HB2  ALA  15           HB2      ALA  15  89.007   4.930   6.093
  117    HB3  ALA  15           HB3      ALA  15  90.386   3.961   6.611
  118    H    LEU  16           HN       LEU  16  92.931   5.421   7.059
  119    HA   LEU  16           HA       LEU  16  94.914   5.072   5.004
  120    HB2  LEU  16           HB2      LEU  16  95.220   6.097   7.360
  121    HB3  LEU  16           HB1      LEU  16  95.276   4.433   7.929
  122    HG   LEU  16           HG       LEU  16  97.147   3.999   6.302
  123   HD11  LEU  16          HD11      LEU  16  96.664   6.910   5.727
  124   HD12  LEU  16          HD12      LEU  16  97.114   5.611   4.622
  125   HD13  LEU  16          HD13      LEU  16  98.325   6.319   5.685
  126   HD21  LEU  16          HD21      LEU  16  97.660   4.426   8.629
  127   HD22  LEU  16          HD22      LEU  16  97.493   6.167   8.391
  128   HD23  LEU  16          HD23      LEU  16  98.835   5.298   7.644
  129    H    GLU  17           HN       GLU  17  96.324   3.123   4.899
  130    HA   GLU  17           HA       GLU  17  94.955   0.815   4.281
  131    HB2  GLU  17           HB2      GLU  17  97.274   1.156   3.621
  132    HB3  GLU  17           HB1      GLU  17  97.799   1.038   5.301
  133    HG2  GLU  17           HG2      GLU  17  96.231  -1.207   4.036
  134    HG3  GLU  17           HG1      GLU  17  97.965  -1.081   3.766
  135    H    GLY  18           HN       GLY  18  94.271  -0.966   5.307
  136    HA2  GLY  18           HA2      GLY  18  93.677  -2.404   6.982
  137    HA3  GLY  18           HA1      GLY  18  95.027  -1.766   7.921
  138    H    GLY  19           HN       GLY  19  92.762   0.509   6.705
  139    HA2  GLY  19           HA2      GLY  19  91.935   1.190   9.415
  140    HA3  GLY  19           HA1      GLY  19  91.599   2.106   7.949
  141    H    GLU  20           HN       GLU  20  89.476   2.186   9.160
  142    HA   GLU  20           HA       GLU  20  87.759  -0.089   8.324
  143    HB2  GLU  20           HB2      GLU  20  88.059   0.128  10.818
  144    HB3  GLU  20           HB1      GLU  20  87.304   1.719  10.707
  145    HG2  GLU  20           HG2      GLU  20  85.291   0.707   9.717
  146    HG3  GLU  20           HG1      GLU  20  86.047  -0.884   9.804
  147    H    ALA  21           HN       ALA  21  85.847   0.461   7.287
  148    HA   ALA  21           HA       ALA  21  85.253   3.344   6.958
  149    HB1  ALA  21           HB1      ALA  21  86.509   2.940   5.006
  150    HB2  ALA  21           HB2      ALA  21  84.836   2.759   4.480
  151    HB3  ALA  21           HB3      ALA  21  85.820   1.334   4.791
  152    H    LEU  22           HN       LEU  22  83.151   3.851   6.819
  153    HA   LEU  22           HA       LEU  22  81.180   1.734   6.353
  154    HB2  LEU  22           HB2      LEU  22  80.012   3.265   8.425
  155    HB3  LEU  22           HB1      LEU  22  80.594   1.609   8.546
  156    HG   LEU  22           HG       LEU  22  82.886   2.539   9.082
  157   HD11  LEU  22          HD11      LEU  22  83.151   4.845   9.600
  158   HD12  LEU  22          HD12      LEU  22  81.412   5.133   9.601
  159   HD13  LEU  22          HD13      LEU  22  82.256   4.843   8.084
  160   HD21  LEU  22          HD21      LEU  22  81.282   1.737  10.812
  161   HD22  LEU  22          HD22      LEU  22  80.641   3.375  10.941
  162   HD23  LEU  22          HD23      LEU  22  82.311   3.044  11.401
  163    H    PHE  23           HN       PHE  23  79.369   2.371   5.352
  164    HA   PHE  23           HA       PHE  23  79.232   5.208   4.491
  165    HB2  PHE  23           HB2      PHE  23  78.553   2.606   3.136
  166    HB3  PHE  23           HB1      PHE  23  77.787   4.102   2.611
  167    HD1  PHE  23           HD2      PHE  23  79.159   5.971   1.723
  168    HD2  PHE  23           HD1      PHE  23  80.881   2.151   2.668
  169    HE1  PHE  23           HE2      PHE  23  81.159   6.542   0.377
  170    HE2  PHE  23           HE1      PHE  23  82.883   2.722   1.318
  171    HZ   PHE  23           HZ       PHE  23  83.025   4.921   0.174
  172    H    GLU  24           HN       GLU  24  77.790   6.214   5.778
  173    HA   GLU  24           HA       GLU  24  75.300   4.837   6.560
  174    HB2  GLU  24           HB2      GLU  24  76.688   7.342   7.522
  175    HB3  GLU  24           HB1      GLU  24  75.028   6.959   7.983
  176    HG2  GLU  24           HG2      GLU  24  75.715   4.877   8.985
  177    HG3  GLU  24           HG1      GLU  24  77.366   5.078   8.395
  178    H    CYS  25           HN       CYS  25  73.753   4.993   5.077
  179    HA   CYS  25           HA       CYS  25  73.200   7.648   3.847
  180    HB2  CYS  25           HB2      CYS  25  72.042   6.131   2.065
  181    HB3  CYS  25           HB1      CYS  25  73.797   6.297   2.028
  182    HG   CYS  25           HG       CYS  25  73.065   3.719   1.955
  183    H    GLN  26           HN       GLN  26  71.210   8.451   4.084
  184    HA   GLN  26           HA       GLN  26  69.253   6.868   5.645
  185    HB2  GLN  26           HB2      GLN  26  69.998   9.006   6.650
  186    HB3  GLN  26           HB1      GLN  26  69.447   9.856   5.207
  187    HG2  GLN  26           HG2      GLN  26  67.173   9.197   5.591
  188    HG3  GLN  26           HG1      GLN  26  67.653   8.133   6.910
  189   HE21  GLN  26          HE21      GLN  26  65.772  10.313   7.263
  190   HE22  GLN  26          HE22      GLN  26  66.488  11.446   8.301
  191    H    LEU  27           HN       LEU  27  67.798   5.931   4.416
  192    HA   LEU  27           HA       LEU  27  66.816   7.301   1.966
  193    HB2  LEU  27           HB2      LEU  27  67.961   5.414   1.245
  194    HB3  LEU  27           HB1      LEU  27  67.500   4.456   2.640
  195    HG   LEU  27           HG       LEU  27  65.383   5.389   0.702
  196   HD11  LEU  27          HD11      LEU  27  67.034   4.388  -0.754
  197   HD12  LEU  27          HD12      LEU  27  65.736   3.214  -0.536
  198   HD13  LEU  27          HD13      LEU  27  67.253   3.027   0.345
  199   HD21  LEU  27          HD21      LEU  27  65.595   3.402   2.915
  200   HD22  LEU  27          HD22      LEU  27  64.792   2.791   1.480
  201   HD23  LEU  27          HD23      LEU  27  64.189   4.238   2.273
  202    H    SER  28           HN       SER  28  64.704   7.752   1.826
  203    HA   SER  28           HA       SER  28  62.943   6.951   4.039
  204    HB2  SER  28           HB2      SER  28  61.542   8.760   3.401
  205    HB3  SER  28           HB1      SER  28  63.193   9.363   3.286
  206    HG   SER  28           HG       SER  28  61.312   8.933   1.333
  207    H    GLN  29           HN       GLN  29  62.469   4.854   3.458
  208    HA   GLN  29           HA       GLN  29  60.203   4.369   1.883
  209    HB2  GLN  29           HB2      GLN  29  61.942   4.728   0.053
  210    HB3  GLN  29           HB1      GLN  29  62.722   3.271   0.637
  211    HG2  GLN  29           HG2      GLN  29  60.565   2.062   0.336
  212    HG3  GLN  29           HG1      GLN  29  59.904   3.515  -0.411
  213   HE21  GLN  29          HE21      GLN  29  63.142   3.484  -1.206
  214   HE22  GLN  29          HE22      GLN  29  63.047   2.692  -2.705
  215    HA   PRO  30           HA       PRO  30  61.286   1.251   5.060
  216    HB2  PRO  30           HB2      PRO  30  58.537   0.343   5.127
  217    HB3  PRO  30           HB1      PRO  30  59.427   1.252   6.359
  218    HG2  PRO  30           HG2      PRO  30  57.361   2.217   4.673
  219    HG3  PRO  30           HG1      PRO  30  58.353   3.150   5.801
  220    HD2  PRO  30           HD2      PRO  30  58.481   3.100   2.877
  221    HD3  PRO  30           HD1      PRO  30  59.303   4.194   4.011
  222    H    GLU  31           HN       GLU  31  59.738   0.795   1.971
  223    HA   GLU  31           HA       GLU  31  60.979  -1.855   1.784
  224    HB2  GLU  31           HB2      GLU  31  58.687  -2.300   2.615
  225    HB3  GLU  31           HB1      GLU  31  58.033  -1.448   1.218
  226    HG2  GLU  31           HG2      GLU  31  59.120  -3.065  -0.293
  227    HG3  GLU  31           HG1      GLU  31  59.807  -3.906   1.097
  228    H    VAL  32           HN       VAL  32  61.786  -2.236  -0.202
  229    HA   VAL  32           HA       VAL  32  60.911  -0.487  -2.437
  230    HB   VAL  32           HB       VAL  32  63.025   0.353  -1.733
  231   HG11  VAL  32          HG11      VAL  32  64.995  -1.072  -1.407
  232   HG12  VAL  32          HG12      VAL  32  64.044  -2.503  -1.792
  233   HG13  VAL  32          HG13      VAL  32  63.689  -1.576  -0.336
  234   HG21  VAL  32          HG21      VAL  32  62.650  -0.207  -4.222
  235   HG22  VAL  32          HG22      VAL  32  63.759  -1.550  -3.953
  236   HG23  VAL  32          HG23      VAL  32  64.307   0.108  -3.707
  237    H    ALA  33           HN       ALA  33  60.092  -1.617  -4.066
  238    HA   ALA  33           HA       ALA  33  60.306  -4.469  -4.197
  239    HB1  ALA  33           HB1      ALA  33  59.147  -2.577  -6.251
  240    HB2  ALA  33           HB2      ALA  33  58.266  -3.185  -4.848
  241    HB3  ALA  33           HB3      ALA  33  58.822  -4.303  -6.093
  242    H    ALA  34           HN       ALA  34  62.518  -2.185  -5.104
  243    HA   ALA  34           HA       ALA  34  63.885  -4.057  -6.821
  244    HB1  ALA  34           HB1      ALA  34  64.017  -2.640  -8.783
  245    HB2  ALA  34           HB2      ALA  34  63.059  -1.390  -7.991
  246    HB3  ALA  34           HB3      ALA  34  62.321  -2.937  -8.407
  247    H    HIS  35           HN       HIS  35  65.804  -3.997  -5.866
  248    HA   HIS  35           HA       HIS  35  67.257  -1.462  -5.735
  249    HB2  HIS  35           HB2      HIS  35  67.960  -1.991  -3.362
  250    HB3  HIS  35           HB1      HIS  35  66.284  -1.466  -3.549
  251    HD1  HIS  35           HD1      HIS  35  64.518  -3.561  -3.849
  252    HD2  HIS  35           HD2      HIS  35  68.176  -4.414  -2.044
  253    HE1  HIS  35           HE1      HIS  35  64.215  -5.756  -2.627
  254    H    THR  36           HN       THR  36  69.268  -1.749  -6.364
  255    HA   THR  36           HA       THR  36  70.568  -4.399  -6.112
  256    HB   THR  36           HB       THR  36  70.789  -2.576  -8.526
  257    HG1  THR  36           HG1      THR  36  68.787  -4.153  -7.796
  258   HG21  THR  36          HG21      THR  36  72.041  -4.293  -9.503
  259   HG22  THR  36          HG22      THR  36  71.379  -5.520  -8.426
  260   HG23  THR  36          HG23      THR  36  72.582  -4.379  -7.827
  261    H    TRP  37           HN       TRP  37  72.654  -4.264  -5.338
  262    HA   TRP  37           HA       TRP  37  73.887  -1.555  -5.166
  263    HB2  TRP  37           HB2      TRP  37  72.908  -2.579  -3.004
  264    HB3  TRP  37           HB1      TRP  37  74.265  -3.691  -3.072
  265    HD1  TRP  37           HD1      TRP  37  76.515  -1.586  -4.072
  266    HE1  TRP  37           HE1      TRP  37  77.358   0.193  -2.438
  267    HE3  TRP  37           HE3      TRP  37  72.635  -1.525  -0.741
  268    HZ2  TRP  37           HZ2      TRP  37  76.529   1.478  -0.043
  269    HZ3  TRP  37           HZ3      TRP  37  72.696  -0.003   1.210
  270    HH2  TRP  37           HH2      TRP  37  74.637   1.500   1.570
  271    H    LEU  38           HN       LEU  38  75.421  -1.661  -6.695
  272    HA   LEU  38           HA       LEU  38  77.461  -3.813  -6.442
  273    HB2  LEU  38           HB2      LEU  38  76.585  -2.458  -9.001
  274    HB3  LEU  38           HB1      LEU  38  77.860  -3.662  -8.851
  275    HG   LEU  38           HG       LEU  38  74.934  -4.114  -8.175
  276   HD11  LEU  38          HD11      LEU  38  75.128  -3.971 -10.550
  277   HD12  LEU  38          HD12      LEU  38  75.159  -5.697 -10.182
  278   HD13  LEU  38          HD13      LEU  38  76.661  -4.848 -10.550
  279   HD21  LEU  38          HD21      LEU  38  76.088  -5.642  -6.811
  280   HD22  LEU  38          HD22      LEU  38  77.421  -5.809  -7.950
  281   HD23  LEU  38          HD23      LEU  38  75.875  -6.583  -8.283
  282    H    LEU  39           HN       LEU  39  79.268  -3.010  -5.691
  283    HA   LEU  39           HA       LEU  39  80.039  -0.219  -6.297
  284    HB2  LEU  39           HB2      LEU  39  81.868  -1.070  -4.429
  285    HB3  LEU  39           HB1      LEU  39  80.356  -0.300  -4.010
  286    HG   LEU  39           HG       LEU  39  79.292  -2.563  -3.858
  287   HD11  LEU  39          HD11      LEU  39  80.947  -3.795  -5.254
  288   HD12  LEU  39          HD12      LEU  39  80.811  -4.510  -3.648
  289   HD13  LEU  39          HD13      LEU  39  82.186  -3.484  -4.036
  290   HD21  LEU  39          HD21      LEU  39  80.434  -3.125  -1.695
  291   HD22  LEU  39          HD22      LEU  39  79.991  -1.427  -1.845
  292   HD23  LEU  39          HD23      LEU  39  81.666  -1.926  -2.090
  293    H    ASP  40           HN       ASP  40  82.569  -2.318  -5.354
  294    HA   ASP  40           HA       ASP  40  83.907  -2.101  -7.801
  295    HB2  ASP  40           HB2      ASP  40  84.289  -4.462  -5.947
  296    HB3  ASP  40           HB1      ASP  40  85.498  -3.597  -6.899
  297    H    ASP  41           HN       ASP  41  84.287  -4.063  -9.205
  298    HA   ASP  41           HA       ASP  41  81.837  -4.906 -10.259
  299    HB2  ASP  41           HB2      ASP  41  84.663  -5.824 -10.751
  300    HB3  ASP  41           HB1      ASP  41  83.288  -6.452 -11.657
  301    H    GLU  42           HN       GLU  42  82.123  -5.762  -7.411
  302    HA   GLU  42           HA       GLU  42  81.545  -8.633  -7.889
  303    HB2  GLU  42           HB2      GLU  42  83.196  -7.509  -5.608
  304    HB3  GLU  42           HB1      GLU  42  82.584  -9.164  -5.670
  305    HG2  GLU  42           HG2      GLU  42  83.895  -9.686  -7.591
  306    HG3  GLU  42           HG1      GLU  42  84.265  -7.990  -7.895
  307    HA   PRO  43           HA       PRO  43  77.746  -7.659  -5.815
  308    HB2  PRO  43           HB2      PRO  43  77.634 -10.132  -4.297
  309    HB3  PRO  43           HB1      PRO  43  76.721  -9.704  -5.751
  310    HG2  PRO  43           HG2      PRO  43  78.983 -11.485  -5.497
  311    HG3  PRO  43           HG1      PRO  43  77.960 -11.191  -6.910
  312    HD2  PRO  43           HD2      PRO  43  80.652 -10.365  -6.597
  313    HD3  PRO  43           HD1      PRO  43  79.534  -9.829  -7.863
  314    H    VAL  44           HN       VAL  44  77.395  -6.502  -3.920
  315    HA   VAL  44           HA       VAL  44  79.523  -6.589  -1.933
  316    HB   VAL  44           HB       VAL  44  78.721  -4.435  -2.666
  317   HG11  VAL  44          HG11      VAL  44  76.277  -5.402  -2.966
  318   HG12  VAL  44          HG12      VAL  44  76.526  -3.703  -2.582
  319   HG13  VAL  44          HG13      VAL  44  76.073  -4.829  -1.311
  320   HG21  VAL  44          HG21      VAL  44  79.530  -4.786  -0.332
  321   HG22  VAL  44          HG22      VAL  44  77.858  -4.976   0.175
  322   HG23  VAL  44          HG23      VAL  44  78.402  -3.443  -0.487
  323    H    ARG  45           HN       ARG  45  79.175  -8.631  -1.162
  324    HA   ARG  45           HA       ARG  45  77.283  -8.760   1.048
  325    HB2  ARG  45           HB2      ARG  45  76.080  -9.867  -0.806
  326    HB3  ARG  45           HB1      ARG  45  77.473 -10.891  -1.116
  327    HG2  ARG  45           HG2      ARG  45  76.072 -12.271   0.175
  328    HG3  ARG  45           HG1      ARG  45  77.196 -11.643   1.372
  329    HD2  ARG  45           HD2      ARG  45  75.573  -9.925   2.029
  330    HD3  ARG  45           HD1      ARG  45  74.462 -10.473   0.781
  331    HE   ARG  45           HE       ARG  45  74.824 -12.724   2.210
  332   HH11  ARG  45          HH11      ARG  45  73.954  -9.470   2.975
  333   HH12  ARG  45          HH12      ARG  45  73.192  -9.876   4.476
  334   HH21  ARG  45          HH21      ARG  45  73.929 -13.252   4.242
  335   HH22  ARG  45          HH22      ARG  45  73.180 -12.015   5.191
  336    H    THR  46           HN       THR  46  78.968 -11.447  -0.337
  337    HA   THR  46           HA       THR  46  80.786 -12.673   0.292
  338    HB   THR  46           HB       THR  46  82.778 -11.502   0.521
  339    HG1  THR  46           HG1      THR  46  81.388  -9.394   1.805
  340   HG21  THR  46          HG21      THR  46  81.146 -10.572  -1.332
  341   HG22  THR  46          HG22      THR  46  82.664  -9.743  -0.996
  342   HG23  THR  46          HG23      THR  46  81.158  -9.124  -0.325
  343    H    SER  47           HN       SER  47  82.311 -11.344   2.812
  344    HA   SER  47           HA       SER  47  80.643 -12.711   4.865
  345    HB2  SER  47           HB2      SER  47  83.652 -12.789   4.829
  346    HB3  SER  47           HB1      SER  47  82.545 -13.777   5.774
  347    HG   SER  47           HG       SER  47  83.010 -15.066   4.111
  348    H    GLU  48           HN       GLU  48  82.778 -12.218   6.858
  349    HA   GLU  48           HA       GLU  48  81.780  -9.822   7.922
  350    HB2  GLU  48           HB2      GLU  48  83.704 -10.025   9.539
  351    HB3  GLU  48           HB1      GLU  48  82.683 -11.455   9.405
  352    HG2  GLU  48           HG2      GLU  48  84.303 -12.478   7.856
  353    HG3  GLU  48           HG1      GLU  48  85.328 -11.047   7.978
  354    H    ASN  49           HN       ASN  49  84.739 -10.432   6.064
  355    HA   ASN  49           HA       ASN  49  85.857  -7.842   6.448
  356    HB2  ASN  49           HB2      ASN  49  86.316  -9.946   4.335
  357    HB3  ASN  49           HB1      ASN  49  87.227  -8.438   4.408
  358   HD21  ASN  49          HD21      ASN  49  88.356 -11.134   4.845
  359   HD22  ASN  49          HD22      ASN  49  88.949 -11.152   6.434
  360    H    ALA  50           HN       ALA  50  83.009  -8.406   5.193
  361    HA   ALA  50           HA       ALA  50  82.546  -5.959   4.029
  362    HB1  ALA  50           HB1      ALA  50  82.359  -6.867   1.539
  363    HB2  ALA  50           HB2      ALA  50  83.623  -7.975   2.080
  364    HB3  ALA  50           HB3      ALA  50  83.891  -6.235   2.145
  365    H    GLU  51           HN       GLU  51  80.366  -5.781   4.091
  366    HA   GLU  51           HA       GLU  51  78.505  -7.536   3.020
  367    HB2  GLU  51           HB2      GLU  51  79.232  -9.145   4.786
  368    HB3  GLU  51           HB1      GLU  51  78.783  -7.962   6.010
  369    HG2  GLU  51           HG2      GLU  51  76.457  -8.009   5.242
  370    HG3  GLU  51           HG1      GLU  51  76.892  -9.115   3.939
  371    H    VAL  52           HN       VAL  52  76.332  -6.719   3.273
  372    HA   VAL  52           HA       VAL  52  76.231  -4.045   4.448
  373    HB   VAL  52           HB       VAL  52  74.072  -5.421   2.845
  374   HG11  VAL  52          HG11      VAL  52  73.527  -3.146   2.199
  375   HG12  VAL  52          HG12      VAL  52  74.970  -2.531   3.006
  376   HG13  VAL  52          HG13      VAL  52  73.651  -3.218   3.955
  377   HG21  VAL  52          HG21      VAL  52  76.166  -5.718   1.582
  378   HG22  VAL  52          HG22      VAL  52  76.518  -3.996   1.762
  379   HG23  VAL  52          HG23      VAL  52  75.137  -4.515   0.804
  380    H    VAL  53           HN       VAL  53  74.498  -3.439   5.859
  381    HA   VAL  53           HA       VAL  53  72.996  -5.651   7.129
  382    HB   VAL  53           HB       VAL  53  73.420  -4.350   9.330
  383   HG11  VAL  53          HG11      VAL  53  74.365  -6.533   9.047
  384   HG12  VAL  53          HG12      VAL  53  75.693  -5.494   9.561
  385   HG13  VAL  53          HG13      VAL  53  75.535  -5.946   7.864
  386   HG21  VAL  53          HG21      VAL  53  75.514  -3.072   9.369
  387   HG22  VAL  53          HG22      VAL  53  74.409  -2.368   8.190
  388   HG23  VAL  53          HG23      VAL  53  75.753  -3.371   7.652
  389    H    PHE  54           HN       PHE  54  70.948  -5.181   7.727
  390    HA   PHE  54           HA       PHE  54  69.861  -2.571   6.879
  391    HB2  PHE  54           HB2      PHE  54  68.758  -5.342   7.196
  392    HB3  PHE  54           HB1      PHE  54  67.645  -3.989   7.374
  393    HD1  PHE  54           HD2      PHE  54  70.421  -5.097   5.089
  394    HD2  PHE  54           HD1      PHE  54  66.553  -3.250   5.458
  395    HE1  PHE  54           HE2      PHE  54  70.283  -4.901   2.623
  396    HE2  PHE  54           HE1      PHE  54  66.419  -3.055   2.986
  397    HZ   PHE  54           HZ       PHE  54  68.281  -3.880   1.569
  398    H    PHE  55           HN       PHE  55  68.694  -1.264   8.214
  399    HA   PHE  55           HA       PHE  55  68.292  -2.089  11.015
  400    HB2  PHE  55           HB2      PHE  55  69.801   0.355  10.082
  401    HB3  PHE  55           HB1      PHE  55  69.033   0.285  11.668
  402    HD1  PHE  55           HD1      PHE  55  69.646  -1.575  13.255
  403    HD2  PHE  55           HD2      PHE  55  71.861  -0.778   9.663
  404    HE1  PHE  55           HE1      PHE  55  71.549  -2.893  14.139
  405    HE2  PHE  55           HE2      PHE  55  73.764  -2.095  10.549
  406    HZ   PHE  55           HZ       PHE  55  73.611  -3.156  12.786
  407    H    GLU  56           HN       GLU  56  66.436  -1.447  11.861
  408    HA   GLU  56           HA       GLU  56  64.343  -0.543  12.030
  409    HB2  GLU  56           HB2      GLU  56  65.848   1.551  11.916
  410    HB3  GLU  56           HB1      GLU  56  65.284   1.702  10.258
  411    HG2  GLU  56           HG2      GLU  56  63.796   3.037  11.575
  412    HG3  GLU  56           HG1      GLU  56  62.904   1.563  11.206
  413    H    ASN  57           HN       ASN  57  64.804  -2.451   9.939
  414    HA   ASN  57           HA       ASN  57  63.661  -3.384   8.187
  415    HB2  ASN  57           HB2      ASN  57  61.720  -2.450   9.550
  416    HB3  ASN  57           HB1      ASN  57  61.689  -1.116   8.401
  417   HD21  ASN  57          HD21      ASN  57  59.745  -3.455   8.876
  418   HD22  ASN  57          HD22      ASN  57  59.543  -4.134   7.334
  419    H    GLY  58           HN       GLY  58  65.797  -1.726   7.418
  420    HA2  GLY  58           HA2      GLY  58  66.649  -1.010   5.384
  421    HA3  GLY  58           HA1      GLY  58  65.052  -1.221   4.685
  422    H    LEU  59           HN       LEU  59  65.100   0.747   7.474
  423    HA   LEU  59           HA       LEU  59  64.414   3.064   5.909
  424    HB2  LEU  59           HB2      LEU  59  63.905   2.210   8.482
  425    HB3  LEU  59           HB1      LEU  59  65.081   3.478   8.764
  426    HG   LEU  59           HG       LEU  59  62.853   4.432   8.866
  427   HD11  LEU  59          HD11      LEU  59  63.834   5.276   6.149
  428   HD12  LEU  59          HD12      LEU  59  64.791   5.612   7.592
  429   HD13  LEU  59          HD13      LEU  59  63.158   6.260   7.447
  430   HD21  LEU  59          HD21      LEU  59  61.147   4.060   7.350
  431   HD22  LEU  59          HD22      LEU  59  61.991   2.523   7.200
  432   HD23  LEU  59          HD23      LEU  59  62.240   3.788   5.996
  433    H    ARG  60           HN       ARG  60  67.209   1.566   7.015
  434    HA   ARG  60           HA       ARG  60  68.919   3.704   6.009
  435    HB2  ARG  60           HB2      ARG  60  69.039   2.681   8.849
  436    HB3  ARG  60           HB1      ARG  60  70.437   3.407   8.057
  437    HG2  ARG  60           HG2      ARG  60  69.193   5.470   7.674
  438    HG3  ARG  60           HG1      ARG  60  67.739   4.755   8.374
  439    HD2  ARG  60           HD2      ARG  60  68.844   6.126  10.059
  440    HD3  ARG  60           HD1      ARG  60  68.983   4.429  10.513
  441    HE   ARG  60           HE       ARG  60  71.240   5.253   8.972
  442   HH11  ARG  60          HH21      ARG  60  70.292   7.070  11.507
  443   HH12  ARG  60          HH22      ARG  60  71.546   6.609  12.613
  444   HH21  ARG  60          HH11      ARG  60  72.678   3.986  10.646
  445   HH22  ARG  60          HH12      ARG  60  72.901   4.866  12.121
  446    H    HIS  61           HN       HIS  61  71.129   2.932   5.633
  447    HA   HIS  61           HA       HIS  61  71.515   0.022   5.777
  448    HB2  HIS  61           HB2      HIS  61  71.900   1.532   3.181
  449    HB3  HIS  61           HB1      HIS  61  72.088  -0.199   3.454
  450    HD1  HIS  61           HD1      HIS  61  69.483   2.479   3.103
  451    HD2  HIS  61           HD2      HIS  61  69.638  -1.656   3.612
  452    HE1  HIS  61           HE1      HIS  61  67.130   1.625   2.735
  453    H    LEU  62           HN       LEU  62  73.510  -0.478   6.344
  454    HA   LEU  62           HA       LEU  62  75.663   1.542   6.035
  455    HB2  LEU  62           HB2      LEU  62  74.897  -0.111   8.432
  456    HB3  LEU  62           HB1      LEU  62  76.569   0.388   8.209
  457    HG   LEU  62           HG       LEU  62  75.755   2.764   8.000
  458   HD11  LEU  62          HD11      LEU  62  73.132   1.388   8.408
  459   HD12  LEU  62          HD12      LEU  62  73.506   2.878   7.545
  460   HD13  LEU  62          HD13      LEU  62  73.369   2.892   9.298
  461   HD21  LEU  62          HD21      LEU  62  76.721   2.093  10.074
  462   HD22  LEU  62          HD22      LEU  62  75.290   1.166  10.525
  463   HD23  LEU  62          HD23      LEU  62  75.227   2.928  10.499
  464    H    LEU  63           HN       LEU  63  77.458   0.837   5.054
  465    HA   LEU  63           HA       LEU  63  77.787  -2.093   4.644
  466    HB2  LEU  63           HB2      LEU  63  77.397  -1.116   2.526
  467    HB3  LEU  63           HB1      LEU  63  78.405   0.280   2.884
  468    HG   LEU  63           HG       LEU  63  80.421  -1.060   2.786
  469   HD11  LEU  63          HD11      LEU  63  79.950  -3.140   3.720
  470   HD12  LEU  63          HD12      LEU  63  80.036  -3.559   2.010
  471   HD13  LEU  63          HD13      LEU  63  78.469  -3.347   2.791
  472   HD21  LEU  63          HD21      LEU  63  78.471  -1.379   0.509
  473   HD22  LEU  63          HD22      LEU  63  80.083  -2.087   0.403
  474   HD23  LEU  63          HD23      LEU  63  79.896  -0.350   0.619
  475    H    LEU  64           HN       LEU  64  79.365  -2.875   5.974
  476    HA   LEU  64           HA       LEU  64  81.681  -1.130   6.556
  477    HB2  LEU  64           HB2      LEU  64  80.351  -1.709   8.512
  478    HB3  LEU  64           HB1      LEU  64  80.456  -3.418   8.114
  479    HG   LEU  64           HG       LEU  64  82.887  -3.375   8.447
  480   HD11  LEU  64          HD11      LEU  64  83.627  -1.236   7.819
  481   HD12  LEU  64          HD12      LEU  64  83.757  -1.174   9.573
  482   HD13  LEU  64          HD13      LEU  64  82.384  -0.417   8.767
  483   HD21  LEU  64          HD21      LEU  64  81.362  -2.069  10.719
  484   HD22  LEU  64          HD22      LEU  64  82.885  -2.944  10.877
  485   HD23  LEU  64          HD23      LEU  64  81.423  -3.797  10.381
  486    H    LEU  65           HN       LEU  65  83.582  -1.695   5.841
  487    HA   LEU  65           HA       LEU  65  84.238  -4.517   5.313
  488    HB2  LEU  65           HB2      LEU  65  85.538  -3.678   3.273
  489    HB3  LEU  65           HB1      LEU  65  83.789  -3.800   3.099
  490    HG   LEU  65           HG       LEU  65  84.920  -1.174   4.045
  491   HD11  LEU  65          HD11      LEU  65  85.287  -0.446   1.715
  492   HD12  LEU  65          HD12      LEU  65  84.936  -2.080   1.145
  493   HD13  LEU  65          HD13      LEU  65  86.367  -1.778   2.131
  494   HD21  LEU  65          HD21      LEU  65  83.032  -0.289   2.755
  495   HD22  LEU  65          HD22      LEU  65  82.456  -1.565   3.820
  496   HD23  LEU  65          HD23      LEU  65  82.693  -1.890   2.106
  497    H    LYS  66           HN       LYS  66  86.244  -5.067   6.082
  498    HA   LYS  66           HA       LYS  66  87.808  -2.920   7.354
  499    HB2  LYS  66           HB2      LYS  66  87.696  -5.910   7.792
  500    HB3  LYS  66           HB1      LYS  66  88.826  -4.848   8.623
  501    HG2  LYS  66           HG2      LYS  66  86.831  -3.495   9.404
  502    HG3  LYS  66           HG1      LYS  66  85.807  -4.787   8.777
  503    HD2  LYS  66           HD2      LYS  66  88.027  -5.244  10.791
  504    HD3  LYS  66           HD1      LYS  66  86.346  -4.973  11.247
  505    HE2  LYS  66           HE2      LYS  66  85.749  -6.934   9.730
  506    HE3  LYS  66           HE1      LYS  66  87.477  -7.275   9.640
  507    HZ1  LYS  66           HZ1      LYS  66  86.856  -6.876  12.317
  508    HZ2  LYS  66           HZ2      LYS  66  87.312  -8.327  11.558
  509    HZ3  LYS  66           HZ3      LYS  66  85.669  -7.917  11.696
  510    H    ASN  67           HN       ASN  67  90.166  -4.308   7.667
  511    HA   ASN  67           HA       ASN  67  92.265  -4.217   6.588
  512    HB2  ASN  67           HB2      ASN  67  90.673  -6.279   5.051
  513    HB3  ASN  67           HB1      ASN  67  92.427  -6.116   4.975
  514   HD21  ASN  67          HD21      ASN  67  90.084  -7.919   6.468
  515   HD22  ASN  67          HD22      ASN  67  90.898  -8.301   7.908
  516    H    LEU  68           HN       LEU  68  90.874  -2.026   5.679
  517    HA   LEU  68           HA       LEU  68  90.350  -1.930   2.947
  518    HB2  LEU  68           HB2      LEU  68  91.315   0.295   4.738
  519    HB3  LEU  68           HB1      LEU  68  90.564   0.511   3.161
  520    HG   LEU  68           HG       LEU  68  89.262  -0.872   5.521
  521   HD11  LEU  68          HD11      LEU  68  89.656   1.628   5.730
  522   HD12  LEU  68          HD12      LEU  68  87.967   1.125   5.806
  523   HD13  LEU  68          HD13      LEU  68  88.609   1.831   4.326
  524   HD21  LEU  68          HD21      LEU  68  87.211  -0.298   3.891
  525   HD22  LEU  68          HD22      LEU  68  88.140  -1.777   3.695
  526   HD23  LEU  68          HD23      LEU  68  88.467  -0.391   2.656
  527    H    ARG  69           HN       ARG  69  91.695  -2.586   1.434
  528    HA   ARG  69           HA       ARG  69  94.532  -1.778   1.492
  529    HB2  ARG  69           HB2      ARG  69  92.984  -3.862  -0.053
  530    HB3  ARG  69           HB1      ARG  69  94.621  -3.401  -0.512
  531    HG2  ARG  69           HG2      ARG  69  94.075  -4.159   2.351
  532    HG3  ARG  69           HG1      ARG  69  94.212  -5.430   1.141
  533    HD2  ARG  69           HD2      ARG  69  96.313  -3.281   1.346
  534    HD3  ARG  69           HD1      ARG  69  96.367  -4.698   2.388
  535    HE   ARG  69           HE       ARG  69  96.037  -5.654  -0.199
  536   HH11  ARG  69          HH11      ARG  69  98.450  -5.751   1.896
  537   HH12  ARG  69          HH12      ARG  69  99.753  -5.380   0.818
  538   HH21  ARG  69          HH21      ARG  69  97.683  -4.316  -1.751
  539   HH22  ARG  69          HH22      ARG  69  99.321  -4.562  -1.243
  540    HA   PRO  70           HA       PRO  70  93.806   1.323  -1.594
  541    HB2  PRO  70           HB2      PRO  70  96.040   0.649  -3.309
  542    HB3  PRO  70           HB1      PRO  70  95.929   1.967  -2.134
  543    HG2  PRO  70           HG2      PRO  70  97.396  -0.508  -1.925
  544    HG3  PRO  70           HG1      PRO  70  97.387   0.867  -0.814
  545    HD2  PRO  70           HD2      PRO  70  96.208  -1.695  -0.372
  546    HD3  PRO  70           HD1      PRO  70  96.051  -0.257   0.655
  547    H    GLN  71           HN       GLN  71  94.496  -1.974  -2.575
  548    HA   GLN  71           HA       GLN  71  93.659  -1.864  -5.248
  549    HB2  GLN  71           HB2      GLN  71  94.834  -3.799  -4.258
  550    HB3  GLN  71           HB1      GLN  71  93.382  -4.192  -3.332
  551    HG2  GLN  71           HG2      GLN  71  92.110  -4.569  -5.363
  552    HG3  GLN  71           HG1      GLN  71  93.439  -3.974  -6.358
  553   HE21  GLN  71          HE21      GLN  71  92.463  -6.577  -6.839
  554   HE22  GLN  71          HE22      GLN  71  93.619  -7.711  -6.332
  555    H    ASP  72           HN       ASP  72  91.710  -3.019  -2.421
  556    HA   ASP  72           HA       ASP  72  89.360  -3.313  -3.834
  557    HB2  ASP  72           HB2      ASP  72  88.241  -3.222  -1.639
  558    HB3  ASP  72           HB1      ASP  72  89.680  -4.238  -1.615
  559    H    SER  73           HN       SER  73  90.723  -0.278  -2.511
  560    HA   SER  73           HA       SER  73  88.352   1.193  -2.497
  561    HB2  SER  73           HB2      SER  73  89.735   3.042  -2.189
  562    HB3  SER  73           HB1      SER  73  90.773   1.730  -1.642
  563    HG   SER  73           HG       SER  73  90.982   3.372  -3.829
  564    H    CYS  74           HN       CYS  74  87.231   2.257  -4.018
  565    HA   CYS  74           HA       CYS  74  88.183   3.056  -6.550
  566    HB2  CYS  74           HB2      CYS  74  87.144   1.455  -8.028
  567    HB3  CYS  74           HB1      CYS  74  88.184   0.563  -6.921
  568    HG   CYS  74           HG       CYS  74  85.408  -0.134  -7.221
  569    H    ARG  75           HN       ARG  75  85.420   2.084  -7.641
  570    HA   ARG  75           HA       ARG  75  83.932   4.433  -6.682
  571    HB2  ARG  75           HB2      ARG  75  84.213   4.136  -9.110
  572    HB3  ARG  75           HB1      ARG  75  83.412   2.568  -9.010
  573    HG2  ARG  75           HG2      ARG  75  81.375   3.724  -8.087
  574    HG3  ARG  75           HG1      ARG  75  82.185   5.266  -8.355
  575    HD2  ARG  75           HD2      ARG  75  81.635   3.197 -10.490
  576    HD3  ARG  75           HD1      ARG  75  80.653   4.633 -10.202
  577    HE   ARG  75           HE       ARG  75  83.259   4.539 -11.477
  578   HH11  ARG  75          HH21      ARG  75  80.522   6.369 -10.546
  579   HH12  ARG  75          HH22      ARG  75  81.250   7.908 -10.857
  580   HH21  ARG  75          HH11      ARG  75  84.369   6.581 -11.586
  581   HH22  ARG  75          HH12      ARG  75  83.427   8.029 -11.450
  582    H    VAL  76           HN       VAL  76  81.961   4.327  -5.705
  583    HA   VAL  76           HA       VAL  76  80.836   1.644  -5.119
  584    HB   VAL  76           HB       VAL  76  81.015   4.098  -3.360
  585   HG11  VAL  76          HG11      VAL  76  78.810   3.261  -3.008
  586   HG12  VAL  76          HG12      VAL  76  79.781   2.587  -1.701
  587   HG13  VAL  76          HG13      VAL  76  79.351   1.587  -3.086
  588   HG21  VAL  76          HG21      VAL  76  81.935   1.238  -2.945
  589   HG22  VAL  76          HG22      VAL  76  82.214   2.594  -1.854
  590   HG23  VAL  76          HG23      VAL  76  82.986   2.564  -3.441
  591    H    THR  77           HN       THR  77  78.756   1.360  -5.798
  592    HA   THR  77           HA       THR  77  77.096   3.767  -6.311
  593    HB   THR  77           HB       THR  77  77.381   1.399  -8.172
  594    HG1  THR  77           HG1      THR  77  77.983   3.967  -8.971
  595   HG21  THR  77          HG21      THR  77  76.003   2.874  -9.673
  596   HG22  THR  77          HG22      THR  77  75.757   3.951  -8.300
  597   HG23  THR  77          HG23      THR  77  75.136   2.301  -8.248
  598    H    PHE  78           HN       PHE  78  75.073   3.663  -5.586
  599    HA   PHE  78           HA       PHE  78  73.877   1.032  -4.931
  600    HB2  PHE  78           HB2      PHE  78  74.637   2.085  -2.864
  601    HB3  PHE  78           HB1      PHE  78  73.825   3.582  -3.297
  602    HD1  PHE  78           HD1      PHE  78  72.812  -0.063  -3.230
  603    HD2  PHE  78           HD2      PHE  78  71.926   3.960  -2.001
  604    HE1  PHE  78           HE1      PHE  78  70.789  -0.866  -2.055
  605    HE2  PHE  78           HE2      PHE  78  69.896   3.153  -0.838
  606    HZ   PHE  78           HZ       PHE  78  69.330   0.739  -0.860
  607    H    LEU  79           HN       LEU  79  72.098   0.757  -6.128
  608    HA   LEU  79           HA       LEU  79  70.587   3.130  -7.057
  609    HB2  LEU  79           HB2      LEU  79  71.566   1.876  -8.876
  610    HB3  LEU  79           HB1      LEU  79  70.884   0.374  -8.262
  611    HG   LEU  79           HG       LEU  79  68.615   1.167  -8.704
  612   HD11  LEU  79          HD11      LEU  79  70.040   3.761  -9.278
  613   HD12  LEU  79          HD12      LEU  79  68.611   3.479  -8.285
  614   HD13  LEU  79          HD13      LEU  79  68.489   3.416 -10.043
  615   HD21  LEU  79          HD21      LEU  79  70.416   1.767 -11.062
  616   HD22  LEU  79          HD22      LEU  79  68.723   1.277 -11.132
  617   HD23  LEU  79          HD23      LEU  79  69.944   0.148 -10.549
  618    H    ALA  80           HN       ALA  80  69.202   3.302  -5.292
  619    HA   ALA  80           HA       ALA  80  67.368   1.043  -4.768
  620    HB1  ALA  80           HB1      ALA  80  66.633   2.721  -2.877
  621    HB2  ALA  80           HB2      ALA  80  68.183   3.491  -3.223
  622    HB3  ALA  80           HB3      ALA  80  68.128   1.810  -2.699
  623    H    GLY  81           HN       GLY  81  66.034   1.213  -6.589
  624    HA2  GLY  81           HA2      GLY  81  64.311   2.028  -7.892
  625    HA3  GLY  81           HA1      GLY  81  63.778   2.826  -6.414
  626    H    ASP  82           HN       ASP  82  63.039   4.538  -7.932
  627    HA   ASP  82           HA       ASP  82  64.568   6.033  -9.642
  628    HB2  ASP  82           HB2      ASP  82  62.102   6.303  -9.087
  629    HB3  ASP  82           HB1      ASP  82  62.608   7.267  -7.695
  630    H    MET  83           HN       MET  83  65.205   5.595  -6.386
  631    HA   MET  83           HA       MET  83  66.638   8.167  -6.087
  632    HB2  MET  83           HB2      MET  83  66.138   6.010  -4.027
  633    HB3  MET  83           HB1      MET  83  66.805   7.607  -3.737
  634    HG2  MET  83           HG2      MET  83  64.651   8.557  -4.708
  635    HG3  MET  83           HG1      MET  83  64.003   6.917  -4.635
  636    HE1  MET  83           HE1      MET  83  64.249   5.461  -2.767
  637    HE2  MET  83           HE2      MET  83  63.818   5.909  -1.119
  638    HE3  MET  83           HE3      MET  83  65.507   5.924  -1.614
  639    H    VAL  84           HN       VAL  84  68.785   8.230  -6.460
  640    HA   VAL  84           HA       VAL  84  70.358   5.741  -6.094
  641    HB   VAL  84           HB       VAL  84  70.006   5.954  -8.460
  642   HG11  VAL  84          HG11      VAL  84  70.499   7.998  -9.693
  643   HG12  VAL  84          HG12      VAL  84  71.032   8.798  -8.215
  644   HG13  VAL  84          HG13      VAL  84  69.335   8.358  -8.417
  645   HG21  VAL  84          HG21      VAL  84  72.245   5.943  -9.194
  646   HG22  VAL  84          HG22      VAL  84  72.389   5.561  -7.479
  647   HG23  VAL  84          HG23      VAL  84  72.728   7.193  -8.051
  648    H    THR  85           HN       THR  85  72.166   5.958  -4.982
  649    HA   THR  85           HA       THR  85  73.328   8.651  -4.530
  650    HB   THR  85           HB       THR  85  73.486   8.286  -2.233
  651    HG1  THR  85           HG1      THR  85  73.146   5.510  -2.577
  652   HG21  THR  85          HG21      THR  85  71.182   6.424  -2.857
  653   HG22  THR  85          HG22      THR  85  71.066   8.177  -3.010
  654   HG23  THR  85          HG23      THR  85  71.381   7.449  -1.436
  655    H    SER  86           HN       SER  86  75.520   8.757  -4.862
  656    HA   SER  86           HA       SER  86  77.128   6.308  -4.808
  657    HB2  SER  86           HB2      SER  86  76.711   7.961  -7.302
  658    HB3  SER  86           HB1      SER  86  78.076   6.869  -7.091
  659    HG   SER  86           HG       SER  86  76.087   6.022  -8.133
  660    H    ALA  87           HN       ALA  87  79.226   6.683  -4.245
  661    HA   ALA  87           HA       ALA  87  80.334   9.390  -4.447
  662    HB1  ALA  87           HB1      ALA  87  79.126   9.264  -2.256
  663    HB2  ALA  87           HB2      ALA  87  80.857   9.557  -2.099
  664    HB3  ALA  87           HB3      ALA  87  80.204   7.948  -1.791
  665    H    PHE  88           HN       PHE  88  82.628   9.468  -3.950
  666    HA   PHE  88           HA       PHE  88  83.998   7.185  -5.035
  667    HB2  PHE  88           HB2      PHE  88  85.047   9.800  -3.933
  668    HB3  PHE  88           HB1      PHE  88  86.005   8.611  -4.814
  669    HD1  PHE  88           HD1      PHE  88  85.598   8.182  -7.209
  670    HD2  PHE  88           HD2      PHE  88  83.427  11.204  -5.065
  671    HE1  PHE  88           HE1      PHE  88  84.859   9.172  -9.357
  672    HE2  PHE  88           HE2      PHE  88  82.684  12.194  -7.213
  673    HZ   PHE  88           HZ       PHE  88  83.400  11.179  -9.360
  674    H    LEU  89           HN       LEU  89  85.933   6.285  -4.077
  675    HA   LEU  89           HA       LEU  89  85.960   6.173  -1.124
  676    HB2  LEU  89           HB2      LEU  89  84.861   4.119  -1.908
  677    HB3  LEU  89           HB1      LEU  89  86.197   3.807  -3.007
  678    HG   LEU  89           HG       LEU  89  87.741   3.570  -1.110
  679   HD11  LEU  89          HD11      LEU  89  85.290   4.339   0.470
  680   HD12  LEU  89          HD12      LEU  89  86.921   5.006   0.579
  681   HD13  LEU  89          HD13      LEU  89  86.583   3.402   1.212
  682   HD21  LEU  89          HD21      LEU  89  85.333   1.889  -0.411
  683   HD22  LEU  89          HD22      LEU  89  87.034   1.423  -0.457
  684   HD23  LEU  89          HD23      LEU  89  86.147   1.669  -1.959
  685    H    THR  90           HN       THR  90  88.033   6.159  -0.244
  686    HA   THR  90           HA       THR  90  90.330   5.922  -2.086
  687    HB   THR  90           HB       THR  90  91.326   7.988  -1.193
  688    HG1  THR  90           HG1      THR  90  89.013   8.980  -0.186
  689   HG21  THR  90          HG21      THR  90  89.991   8.101  -3.269
  690   HG22  THR  90          HG22      THR  90  89.846   9.590  -2.332
  691   HG23  THR  90          HG23      THR  90  88.540   8.405  -2.313
  692    H    VAL  91           HN       VAL  91  91.947   4.797  -1.219
  693    HA   VAL  91           HA       VAL  91  92.326   4.776   1.703
  694    HB   VAL  91           HB       VAL  91  92.303   2.233   0.069
  695   HG11  VAL  91          HG11      VAL  91  93.689   2.475   2.228
  696   HG12  VAL  91          HG12      VAL  91  92.548   1.137   2.164
  697   HG13  VAL  91          HG13      VAL  91  92.140   2.596   3.067
  698   HG21  VAL  91          HG21      VAL  91  90.174   3.376   1.910
  699   HG22  VAL  91          HG22      VAL  91  90.153   1.754   1.221
  700   HG23  VAL  91          HG23      VAL  91  90.028   3.160   0.166
  701    H    ARG  92           HN       ARG  92  94.438   5.065   2.181
  702    HA   ARG  92           HA       ARG  92  96.446   4.519   0.067
  703    HB2  ARG  92           HB2      ARG  92  96.055   6.910   0.554
  704    HB3  ARG  92           HB1      ARG  92  96.477   6.623   2.239
  705    HG2  ARG  92           HG2      ARG  92  98.729   5.899   1.572
  706    HG3  ARG  92           HG1      ARG  92  98.310   6.124  -0.127
  707    HD2  ARG  92           HD2      ARG  92  97.897   8.519   0.297
  708    HD3  ARG  92           HD1      ARG  92  98.322   8.292   1.993
  709    HE   ARG  92           HE       ARG  92 100.168   8.282  -0.290
  710   HH11  ARG  92          HH11      ARG  92  99.645   7.467   3.026
  711   HH12  ARG  92          HH12      ARG  92 101.290   7.736   3.499
  712   HH21  ARG  92          HH21      ARG  92 102.299   8.775   0.346
  713   HH22  ARG  92          HH22      ARG  92 102.791   8.485   1.980
  714    H    GLY  93           HN       GLY  93  98.514   3.821   0.696
  715    HA2  GLY  93           HA2      GLY  93  98.866   2.847   3.459
  716    HA3  GLY  93           HA1      GLY  93  99.024   1.703   2.126
  717    H    GLY  94           HN       GLY  94 101.042   2.583   4.076
  718    HA2  GLY  94           HA2      GLY  94 102.900   4.301   2.675
  719    HA3  GLY  94           HA1      GLY  94 103.190   3.464   4.195
  720    H    LEU  95           HN       LEU  95 104.889   3.714   1.789
  721    HA   LEU  95           HA       LEU  95 105.137   0.866   0.982
  722    HB2  LEU  95           HB2      LEU  95 106.251   3.359  -0.332
  723    HB3  LEU  95           HB1      LEU  95 106.437   1.709  -0.924
  724    HG   LEU  95           HG       LEU  95 103.784   3.131  -0.541
  725   HD11  LEU  95          HD11      LEU  95 103.726   3.408  -2.917
  726   HD12  LEU  95          HD12      LEU  95 105.137   2.375  -3.143
  727   HD13  LEU  95          HD13      LEU  95 105.319   3.968  -2.407
  728   HD21  LEU  95          HD21      LEU  95 104.583   0.353  -1.399
  729   HD22  LEU  95          HD22      LEU  95 103.140   1.084  -2.105
  730   HD23  LEU  95          HD23      LEU  95 103.252   0.862  -0.363
  731    H    GLU  96           HN       GLU  96 106.821   3.664   2.294
  732    HA   GLU  96           HA       GLU  96 109.349   2.241   2.507
  733    HB2  GLU  96           HB2      GLU  96 108.480   4.967   3.508
  734    HB3  GLU  96           HB1      GLU  96 110.117   4.325   3.626
  735    HG2  GLU  96           HG2      GLU  96 110.213   5.594   1.653
  736    HG3  GLU  96           HG1      GLU  96 109.917   3.968   1.047
  737    H    HIS  97           HN       HIS  97 109.861   0.956   4.151
  738    HA   HIS  97           HA       HIS  97 108.117   0.711   6.427
  739    HB2  HIS  97           HB2      HIS  97 110.754  -0.599   5.736
  740    HB3  HIS  97           HB1      HIS  97 109.805  -0.996   7.168
  741    HD1  HIS  97           HD1      HIS  97 107.083  -1.448   6.424
  742    HD2  HIS  97           HD2      HIS  97 110.090  -2.291   3.662
  743    HE1  HIS  97           HE1      HIS  97 106.077  -3.043   4.734
  744    H    HIS  98           HN       HIS  98 111.302   2.111   5.802
  745    HA   HIS  98           HA       HIS  98 111.095   3.676   8.247
  746    HB2  HIS  98           HB2      HIS  98 113.307   2.974   9.088
  747    HB3  HIS  98           HB1      HIS  98 112.156   1.635   9.076
  748    HD1  HIS  98           HD1      HIS  98 114.635   3.099   6.547
  749    HD2  HIS  98           HD2      HIS  98 113.317  -0.592   7.972
  750    HE1  HIS  98           HE1      HIS  98 115.963   1.334   5.305
  751    H    HIS  99           HN       HIS  99 112.852   5.283   8.407
  752    HA   HIS  99           HA       HIS  99 113.400   6.427   5.805
  753    HB2  HIS  99           HB2      HIS  99 114.136   7.330   8.598
  754    HB3  HIS  99           HB1      HIS  99 114.417   8.268   7.134
  755    HD1  HIS  99           HD1      HIS  99 112.449   9.101   9.509
  756    HD2  HIS  99           HD2      HIS  99 111.297   7.397   5.882
  757    HE1  HIS  99           HE1      HIS  99 110.028   9.746   9.151
  758    H    HIS 100           HN       HIS 100 115.564   5.913   8.592
  759    HA   HIS 100           HA       HIS 100 117.476   4.442   7.017
  760    HB2  HIS 100           HB2      HIS 100 119.310   6.090   7.264
  761    HB3  HIS 100           HB1      HIS 100 118.016   6.681   6.224
  762    HD1  HIS 100           HD1      HIS 100 119.125   6.934   9.866
  763    HD2  HIS 100           HD2      HIS 100 116.979   9.119   7.037
  764    HE1  HIS 100           HE1      HIS 100 118.589   9.164  10.939
  765    H    HIS 101           HN       HIS 101 118.861   3.278   8.300
  766    HA   HIS 101           HA       HIS 101 119.020   3.936  11.177
  767    HB2  HIS 101           HB2      HIS 101 118.627   1.563  11.756
  768    HB3  HIS 101           HB1      HIS 101 117.219   2.293  10.984
  769    HD1  HIS 101           HD1      HIS 101 116.987   1.788   8.331
  770    HD2  HIS 101           HD2      HIS 101 119.579  -0.700  10.447
  771    HE1  HIS 101           HE1      HIS 101 117.370  -0.252   6.876
  772    H    HIS 102           HN       HIS 102 121.020   3.810  11.926
  773    HA   HIS 102           HA       HIS 102 122.952   1.916  10.822
  774    HB2  HIS 102           HB2      HIS 102 123.244   4.913  10.573
  775    HB3  HIS 102           HB1      HIS 102 124.622   3.816  10.502
  776    HD1  HIS 102           HD1      HIS 102 121.257   4.301   8.770
  777    HD2  HIS 102           HD2      HIS 102 125.053   2.773   7.974
  778    HE1  HIS 102           HE1      HIS 102 121.279   3.677   6.316
  Start of MODEL   15
    1    H1   THR   1           HT1      THR   1  54.098   3.835   4.495
    2    H2   THR   1           HT2      THR   1  55.210   4.569   3.440
    3    H3   THR   1           HT3      THR   1  55.760   3.608   4.731
    4    HA   THR   1           HA       THR   1  55.981   2.195   2.929
    5    HB   THR   1           HB       THR   1  53.149   1.572   3.792
    6    HG1  THR   1           HG1      THR   1  53.838   1.355   5.735
    7   HG21  THR   1          HG21      THR   1  54.418   0.176   2.067
    8   HG22  THR   1          HG22      THR   1  53.792  -0.691   3.469
    9   HG23  THR   1          HG23      THR   1  55.505  -0.270   3.379
   10    H    ALA   2           HN       ALA   2  55.350   4.549   1.618
   11    HA   ALA   2           HA       ALA   2  54.096   3.619  -0.769
   12    HB1  ALA   2           HB1      ALA   2  52.085   4.015   0.763
   13    HB2  ALA   2           HB2      ALA   2  52.074   4.903  -0.763
   14    HB3  ALA   2           HB3      ALA   2  52.528   5.723   0.728
   15    H    LYS   3           HN       LYS   3  56.137   5.642   0.876
   16    HA   LYS   3           HA       LYS   3  56.217   7.586  -1.358
   17    HB2  LYS   3           HB2      LYS   3  55.727   8.118   1.377
   18    HB3  LYS   3           HB1      LYS   3  57.394   8.615   1.116
   19    HG2  LYS   3           HG2      LYS   3  55.078   9.486  -0.652
   20    HG3  LYS   3           HG1      LYS   3  55.699  10.435   0.699
   21    HD2  LYS   3           HD2      LYS   3  57.985  10.345  -0.391
   22    HD3  LYS   3           HD1      LYS   3  57.224   9.626  -1.814
   23    HE2  LYS   3           HE2      LYS   3  56.337  12.255  -0.594
   24    HE3  LYS   3           HE1      LYS   3  57.491  12.148  -1.921
   25    HZ1  LYS   3           HZ1      LYS   3  55.793  11.975  -3.320
   26    HZ2  LYS   3           HZ2      LYS   3  54.684  12.065  -2.035
   27    HZ3  LYS   3           HZ3      LYS   3  55.271  10.555  -2.557
   28    H    ASN   4           HN       ASN   4  58.328   8.143  -2.151
   29    HA   ASN   4           HA       ASN   4  60.594   6.711  -0.938
   30    HB2  ASN   4           HB2      ASN   4  61.398   6.037  -3.136
   31    HB3  ASN   4           HB1      ASN   4  59.796   5.364  -2.866
   32   HD21  ASN   4          HD21      ASN   4  60.888   5.741  -5.506
   33   HD22  ASN   4          HD22      ASN   4  59.961   6.925  -6.293
   34    H    THR   5           HN       THR   5  61.851   8.403  -0.235
   35    HA   THR   5           HA       THR   5  62.717  10.371  -2.230
   36    HB   THR   5           HB       THR   5  61.472  11.136   0.432
   37    HG1  THR   5           HG1      THR   5  60.673  12.395  -1.828
   38   HG21  THR   5          HG21      THR   5  63.131  12.667  -1.563
   39   HG22  THR   5          HG22      THR   5  63.336  12.573   0.188
   40   HG23  THR   5          HG23      THR   5  61.987  13.480  -0.501
   41    H    VAL   6           HN       VAL   6  64.877  10.080  -2.181
   42    HA   VAL   6           HA       VAL   6  66.274   9.072   0.068
   43    HB   VAL   6           HB       VAL   6  67.005   8.933  -2.351
   44   HG11  VAL   6          HG11      VAL   6  68.179  11.672  -1.863
   45   HG12  VAL   6          HG12      VAL   6  66.652  11.462  -2.718
   46   HG13  VAL   6          HG13      VAL   6  68.132  10.759  -3.370
   47   HG21  VAL   6          HG21      VAL   6  68.940  10.010  -0.286
   48   HG22  VAL   6          HG22      VAL   6  69.414   9.170  -1.761
   49   HG23  VAL   6          HG23      VAL   6  68.502   8.316  -0.515
   50    H    VAL   7           HN       VAL   7  67.334  10.059   1.672
   51    HA   VAL   7           HA       VAL   7  67.066  12.997   1.958
   52    HB   VAL   7           HB       VAL   7  67.562  10.743   3.910
   53   HG11  VAL   7          HG11      VAL   7  69.050  12.522   4.615
   54   HG12  VAL   7          HG12      VAL   7  67.634  12.553   5.659
   55   HG13  VAL   7          HG13      VAL   7  67.793  13.738   4.362
   56   HG21  VAL   7          HG21      VAL   7  65.514  11.490   4.911
   57   HG22  VAL   7          HG22      VAL   7  65.221  11.345   3.178
   58   HG23  VAL   7          HG23      VAL   7  65.478  12.933   3.902
   59    H    ARG   8           HN       ARG   8  69.290  10.293   2.202
   60    HA   ARG   8           HA       ARG   8  71.486  11.876   1.199
   61    HB2  ARG   8           HB2      ARG   8  71.839  12.333   3.529
   62    HB3  ARG   8           HB1      ARG   8  71.540  10.650   3.963
   63    HG2  ARG   8           HG2      ARG   8  73.572   9.929   2.846
   64    HG3  ARG   8           HG1      ARG   8  73.829  11.529   2.162
   65    HD2  ARG   8           HD2      ARG   8  73.697  11.011   5.142
   66    HD3  ARG   8           HD1      ARG   8  75.212  10.962   4.246
   67    HE   ARG   8           HE       ARG   8  74.467  13.367   3.556
   68   HH11  ARG   8          HH11      ARG   8  75.955  12.814   6.247
   69   HH12  ARG   8          HH12      ARG   8  75.079  13.879   7.296
   70   HH21  ARG   8          HH21      ARG   8  72.420  14.276   5.084
   71   HH22  ARG   8          HH22      ARG   8  73.042  14.671   6.651
   72    H    GLY   9           HN       GLY   9  73.060  10.669   0.308
   73    HA2  GLY   9           HA2      GLY   9  72.463   7.788  -0.048
   74    HA3  GLY   9           HA1      GLY   9  73.290   8.825  -1.195
   75    H    LEU  10           HN       LEU  10  75.149   7.712  -1.375
   76    HA   LEU  10           HA       LEU  10  76.662   6.749   0.855
   77    HB2  LEU  10           HB2      LEU  10  77.346   7.208  -2.059
   78    HB3  LEU  10           HB1      LEU  10  78.402   6.382  -0.916
   79    HG   LEU  10           HG       LEU  10  75.558   5.523  -1.481
   80   HD11  LEU  10          HD11      LEU  10  76.735   5.307  -3.546
   81   HD12  LEU  10          HD12      LEU  10  76.741   3.693  -2.829
   82   HD13  LEU  10          HD13      LEU  10  78.187   4.704  -2.741
   83   HD21  LEU  10          HD21      LEU  10  76.170   4.511   0.563
   84   HD22  LEU  10          HD22      LEU  10  77.869   4.392   0.110
   85   HD23  LEU  10          HD23      LEU  10  76.691   3.289  -0.593
   86    H    GLU  11           HN       GLU  11  78.808   7.574   1.422
   87    HA   GLU  11           HA       GLU  11  79.170  10.458   0.869
   88    HB2  GLU  11           HB2      GLU  11  78.051  10.139   3.053
   89    HB3  GLU  11           HB1      GLU  11  79.405   9.141   3.584
   90    HG2  GLU  11           HG2      GLU  11  80.941  11.048   3.233
   91    HG3  GLU  11           HG1      GLU  11  79.581  12.039   2.704
   92    H    ASN  12           HN       ASN  12  81.255  11.113   0.600
   93    HA   ASN  12           HA       ASN  12  83.237   9.355  -0.200
   94    HB2  ASN  12           HB2      ASN  12  84.794  11.195   0.003
   95    HB3  ASN  12           HB1      ASN  12  83.252  11.795  -0.612
   96   HD21  ASN  12          HD21      ASN  12  85.480  13.071   1.070
   97   HD22  ASN  12          HD22      ASN  12  84.668  13.741   2.402
   98    H    VAL  13           HN       VAL  13  85.154   8.587   0.777
   99    HA   VAL  13           HA       VAL  13  85.298   8.738   3.725
  100    HB   VAL  13           HB       VAL  13  85.500   6.044   2.360
  101   HG11  VAL  13          HG11      VAL  13  86.459   6.148   4.601
  102   HG12  VAL  13          HG12      VAL  13  84.917   5.302   4.694
  103   HG13  VAL  13          HG13      VAL  13  85.026   6.976   5.209
  104   HG21  VAL  13          HG21      VAL  13  83.062   7.297   3.643
  105   HG22  VAL  13          HG22      VAL  13  83.203   5.616   3.131
  106   HG23  VAL  13          HG23      VAL  13  83.252   6.908   1.933
  107    H    GLU  14           HN       GLU  14  87.336   8.750   4.509
  108    HA   GLU  14           HA       GLU  14  89.564   8.070   2.706
  109    HB2  GLU  14           HB2      GLU  14  90.822  10.042   3.612
  110    HB3  GLU  14           HB1      GLU  14  89.442  10.469   2.607
  111    HG2  GLU  14           HG2      GLU  14  89.288  10.354   5.634
  112    HG3  GLU  14           HG1      GLU  14  89.656  11.822   4.729
  113    H    ALA  15           HN       ALA  15  91.080   6.839   3.602
  114    HA   ALA  15           HA       ALA  15  91.589   6.808   6.449
  115    HB1  ALA  15           HB1      ALA  15  89.617   5.361   6.407
  116    HB2  ALA  15           HB2      ALA  15  91.054   4.372   6.678
  117    HB3  ALA  15           HB3      ALA  15  90.306   4.423   5.082
  118    H    LEU  16           HN       LEU  16  93.441   5.530   6.987
  119    HA   LEU  16           HA       LEU  16  95.318   5.267   4.797
  120    HB2  LEU  16           HB2      LEU  16  95.471   4.978   7.793
  121    HB3  LEU  16           HB1      LEU  16  96.801   4.442   6.767
  122    HG   LEU  16           HG       LEU  16  97.005   6.653   5.792
  123   HD11  LEU  16          HD11      LEU  16  94.543   7.232   7.453
  124   HD12  LEU  16          HD12      LEU  16  94.814   7.560   5.740
  125   HD13  LEU  16          HD13      LEU  16  95.640   8.524   6.961
  126   HD21  LEU  16          HD21      LEU  16  98.072   7.642   7.604
  127   HD22  LEU  16          HD22      LEU  16  97.958   5.974   8.158
  128   HD23  LEU  16          HD23      LEU  16  96.815   7.185   8.747
  129    H    GLU  17           HN       GLU  17  96.569   3.277   4.494
  130    HA   GLU  17           HA       GLU  17  95.149   1.076   3.794
  131    HB2  GLU  17           HB2      GLU  17  97.209  -0.224   3.986
  132    HB3  GLU  17           HB1      GLU  17  97.536   1.369   3.318
  133    HG2  GLU  17           HG2      GLU  17  98.257   2.169   5.546
  134    HG3  GLU  17           HG1      GLU  17  97.949   0.566   6.216
  135    H    GLY  18           HN       GLY  18  94.756  -0.973   4.733
  136    HA2  GLY  18           HA2      GLY  18  93.982  -2.380   6.377
  137    HA3  GLY  18           HA1      GLY  18  95.215  -1.653   7.412
  138    H    GLY  19           HN       GLY  19  93.005   0.532   6.003
  139    HA2  GLY  19           HA2      GLY  19  91.878   1.154   8.604
  140    HA3  GLY  19           HA1      GLY  19  91.689   2.066   7.112
  141    H    GLU  20           HN       GLU  20  89.472   1.933   8.402
  142    HA   GLU  20           HA       GLU  20  87.838  -0.196   7.134
  143    HB2  GLU  20           HB2      GLU  20  88.010  -0.500   9.607
  144    HB3  GLU  20           HB1      GLU  20  87.364   1.128   9.830
  145    HG2  GLU  20           HG2      GLU  20  85.288   0.480   8.654
  146    HG3  GLU  20           HG1      GLU  20  85.930  -1.138   8.388
  147    H    ALA  21           HN       ALA  21  85.649   0.500   6.546
  148    HA   ALA  21           HA       ALA  21  85.243   3.435   6.409
  149    HB1  ALA  21           HB1      ALA  21  85.117   1.507   4.088
  150    HB2  ALA  21           HB2      ALA  21  86.210   2.878   4.273
  151    HB3  ALA  21           HB3      ALA  21  84.482   3.149   4.035
  152    H    LEU  22           HN       LEU  22  83.200   4.062   6.638
  153    HA   LEU  22           HA       LEU  22  81.067   2.013   6.674
  154    HB2  LEU  22           HB2      LEU  22  81.499   4.301   8.631
  155    HB3  LEU  22           HB1      LEU  22  80.084   3.255   8.611
  156    HG   LEU  22           HG       LEU  22  82.894   2.161   8.861
  157   HD11  LEU  22          HD11      LEU  22  82.458   1.997  11.303
  158   HD12  LEU  22          HD12      LEU  22  80.959   2.902  11.096
  159   HD13  LEU  22          HD13      LEU  22  82.511   3.677  10.773
  160   HD21  LEU  22          HD21      LEU  22  80.099   1.067   9.256
  161   HD22  LEU  22          HD22      LEU  22  81.482   0.325  10.054
  162   HD23  LEU  22          HD23      LEU  22  81.424   0.404   8.301
  163    H    PHE  23           HN       PHE  23  79.511   2.496   5.211
  164    HA   PHE  23           HA       PHE  23  79.175   5.323   4.379
  165    HB2  PHE  23           HB2      PHE  23  78.608   2.689   2.986
  166    HB3  PHE  23           HB1      PHE  23  77.925   4.215   2.429
  167    HD1  PHE  23           HD1      PHE  23  81.093   2.364   2.995
  168    HD2  PHE  23           HD2      PHE  23  79.239   5.849   1.333
  169    HE1  PHE  23           HE1      PHE  23  83.178   2.885   1.754
  170    HE2  PHE  23           HE2      PHE  23  81.326   6.388   0.105
  171    HZ   PHE  23           HZ       PHE  23  83.299   4.910   0.331
  172    H    GLU  24           HN       GLU  24  77.666   6.159   5.684
  173    HA   GLU  24           HA       GLU  24  75.230   4.614   6.268
  174    HB2  GLU  24           HB2      GLU  24  76.362   7.170   7.441
  175    HB3  GLU  24           HB1      GLU  24  74.752   6.554   7.822
  176    HG2  GLU  24           HG2      GLU  24  75.675   4.495   8.688
  177    HG3  GLU  24           HG1      GLU  24  77.307   4.964   8.202
  178    H    CYS  25           HN       CYS  25  73.668   4.836   4.806
  179    HA   CYS  25           HA       CYS  25  73.171   7.511   3.627
  180    HB2  CYS  25           HB2      CYS  25  71.912   5.951   1.871
  181    HB3  CYS  25           HB1      CYS  25  73.650   6.210   1.762
  182    HG   CYS  25           HG       CYS  25  73.041   3.609   1.701
  183    H    GLN  26           HN       GLN  26  71.097   8.312   3.655
  184    HA   GLN  26           HA       GLN  26  69.185   6.870   5.411
  185    HB2  GLN  26           HB2      GLN  26  69.510   9.806   4.763
  186    HB3  GLN  26           HB1      GLN  26  68.145   9.145   5.662
  187    HG2  GLN  26           HG2      GLN  26  69.631   8.296   7.390
  188    HG3  GLN  26           HG1      GLN  26  71.048   8.815   6.472
  189   HE21  GLN  26          HE21      GLN  26  69.153   9.762   9.028
  190   HE22  GLN  26          HE22      GLN  26  69.352  11.445   8.918
  191    H    LEU  27           HN       LEU  27  67.466   6.034   4.538
  192    HA   LEU  27           HA       LEU  27  66.520   7.006   1.891
  193    HB2  LEU  27           HB2      LEU  27  67.687   4.757   1.965
  194    HB3  LEU  27           HB1      LEU  27  66.361   4.202   2.973
  195    HG   LEU  27           HG       LEU  27  65.153   5.484   0.703
  196   HD11  LEU  27          HD11      LEU  27  66.112   4.139  -1.144
  197   HD12  LEU  27          HD12      LEU  27  67.336   3.516  -0.045
  198   HD13  LEU  27          HD13      LEU  27  67.320   5.228  -0.454
  199   HD21  LEU  27          HD21      LEU  27  64.392   3.140   0.207
  200   HD22  LEU  27          HD22      LEU  27  64.140   3.601   1.892
  201   HD23  LEU  27          HD23      LEU  27  65.487   2.550   1.454
  202    H    SER  28           HN       SER  28  64.398   7.545   1.761
  203    HA   SER  28           HA       SER  28  62.682   7.005   4.122
  204    HB2  SER  28           HB2      SER  28  62.120   9.009   1.937
  205    HB3  SER  28           HB1      SER  28  61.536   9.009   3.604
  206    HG   SER  28           HG       SER  28  63.216  10.186   4.000
  207    H    GLN  29           HN       GLN  29  62.114   4.913   3.488
  208    HA   GLN  29           HA       GLN  29  59.780   4.711   1.887
  209    HB2  GLN  29           HB2      GLN  29  61.669   4.815   0.170
  210    HB3  GLN  29           HB1      GLN  29  62.162   3.238   0.776
  211    HG2  GLN  29           HG2      GLN  29  59.641   2.598   0.389
  212    HG3  GLN  29           HG1      GLN  29  59.649   3.999  -0.680
  213   HE21  GLN  29          HE21      GLN  29  62.614   3.463  -1.350
  214   HE22  GLN  29          HE22      GLN  29  62.547   2.172  -2.450
  215    HA   PRO  30           HA       PRO  30  60.492   1.376   5.012
  216    HB2  PRO  30           HB2      PRO  30  57.702   1.592   5.801
  217    HB3  PRO  30           HB1      PRO  30  59.134   2.001   6.756
  218    HG2  PRO  30           HG2      PRO  30  57.270   3.804   5.702
  219    HG3  PRO  30           HG1      PRO  30  58.861   4.219   6.357
  220    HD2  PRO  30           HD2      PRO  30  57.981   4.093   3.518
  221    HD3  PRO  30           HD1      PRO  30  59.356   4.965   4.234
  222    H    GLU  31           HN       GLU  31  60.146   1.009   2.295
  223    HA   GLU  31           HA       GLU  31  58.596  -1.450   2.160
  224    HB2  GLU  31           HB2      GLU  31  57.037   0.376   1.369
  225    HB3  GLU  31           HB1      GLU  31  58.214   0.769   0.116
  226    HG2  GLU  31           HG2      GLU  31  58.038  -1.513  -0.780
  227    HG3  GLU  31           HG1      GLU  31  56.894  -1.932   0.490
  228    H    VAL  32           HN       VAL  32  59.435  -2.844   0.512
  229    HA   VAL  32           HA       VAL  32  61.830  -1.848  -0.913
  230    HB   VAL  32           HB       VAL  32  63.097  -3.725  -0.331
  231   HG11  VAL  32          HG11      VAL  32  61.385  -3.181   2.091
  232   HG12  VAL  32          HG12      VAL  32  62.708  -2.157   1.525
  233   HG13  VAL  32          HG13      VAL  32  63.037  -3.798   2.087
  234   HG21  VAL  32          HG21      VAL  32  60.460  -5.016   0.430
  235   HG22  VAL  32          HG22      VAL  32  62.001  -5.672   0.980
  236   HG23  VAL  32          HG23      VAL  32  61.648  -5.593  -0.745
  237    H    ALA  33           HN       ALA  33  61.434  -1.890  -2.985
  238    HA   ALA  33           HA       ALA  33  59.674  -4.007  -4.079
  239    HB1  ALA  33           HB1      ALA  33  59.301  -2.422  -5.949
  240    HB2  ALA  33           HB2      ALA  33  60.289  -1.228  -5.109
  241    HB3  ALA  33           HB3      ALA  33  58.763  -1.764  -4.404
  242    H    ALA  34           HN       ALA  34  62.639  -2.145  -4.549
  243    HA   ALA  34           HA       ALA  34  63.987  -4.333  -5.766
  244    HB1  ALA  34           HB1      ALA  34  62.787  -3.818  -7.774
  245    HB2  ALA  34           HB2      ALA  34  64.404  -3.137  -7.978
  246    HB3  ALA  34           HB3      ALA  34  63.049  -2.089  -7.559
  247    H    HIS  35           HN       HIS  35  66.035  -4.139  -5.252
  248    HA   HIS  35           HA       HIS  35  67.348  -1.540  -5.230
  249    HB2  HIS  35           HB2      HIS  35  68.164  -1.932  -2.854
  250    HB3  HIS  35           HB1      HIS  35  66.474  -1.452  -3.024
  251    HD1  HIS  35           HD1      HIS  35  64.684  -3.417  -2.910
  252    HD2  HIS  35           HD2      HIS  35  68.516  -4.405  -1.638
  253    HE1  HIS  35           HE1      HIS  35  64.447  -5.513  -1.500
  254    H    THR  36           HN       THR  36  69.454  -1.694  -5.697
  255    HA   THR  36           HA       THR  36  70.744  -4.363  -5.546
  256    HB   THR  36           HB       THR  36  70.788  -2.405  -7.857
  257    HG1  THR  36           HG1      THR  36  69.901  -5.076  -7.911
  258   HG21  THR  36          HG21      THR  36  71.916  -4.488  -8.953
  259   HG22  THR  36          HG22      THR  36  72.299  -4.948  -7.295
  260   HG23  THR  36          HG23      THR  36  72.908  -3.426  -7.950
  261    H    TRP  37           HN       TRP  37  72.807  -4.344  -4.771
  262    HA   TRP  37           HA       TRP  37  74.133  -1.697  -4.362
  263    HB2  TRP  37           HB2      TRP  37  73.945  -4.157  -2.661
  264    HB3  TRP  37           HB1      TRP  37  75.470  -3.277  -2.618
  265    HD1  TRP  37           HD1      TRP  37  71.734  -2.831  -1.982
  266    HE1  TRP  37           HE1      TRP  37  71.399  -0.855  -0.360
  267    HE3  TRP  37           HE3      TRP  37  76.544  -1.125  -1.669
  268    HZ2  TRP  37           HZ2      TRP  37  72.951   1.171   0.884
  269    HZ3  TRP  37           HZ3      TRP  37  77.082   0.838  -0.258
  270    HH2  TRP  37           HH2      TRP  37  75.295   1.997   1.011
  271    H    LEU  38           HN       LEU  38  75.886  -1.377  -5.639
  272    HA   LEU  38           HA       LEU  38  77.683  -3.631  -6.176
  273    HB2  LEU  38           HB2      LEU  38  76.265  -2.073  -8.340
  274    HB3  LEU  38           HB1      LEU  38  77.744  -2.975  -8.651
  275    HG   LEU  38           HG       LEU  38  75.171  -4.154  -7.549
  276   HD11  LEU  38          HD11      LEU  38  76.476  -4.387 -10.273
  277   HD12  LEU  38          HD12      LEU  38  75.037  -3.431  -9.914
  278   HD13  LEU  38          HD13      LEU  38  74.992  -5.189  -9.771
  279   HD21  LEU  38          HD21      LEU  38  76.757  -5.682  -6.776
  280   HD22  LEU  38          HD22      LEU  38  77.938  -5.234  -8.000
  281   HD23  LEU  38          HD23      LEU  38  76.589  -6.286  -8.421
  282    H    LEU  39           HN       LEU  39  79.568  -2.979  -5.594
  283    HA   LEU  39           HA       LEU  39  80.465  -0.193  -6.123
  284    HB2  LEU  39           HB2      LEU  39  82.391  -1.331  -4.468
  285    HB3  LEU  39           HB1      LEU  39  81.065  -0.349  -3.907
  286    HG   LEU  39           HG       LEU  39  79.717  -2.549  -3.783
  287   HD11  LEU  39          HD11      LEU  39  81.212  -4.023  -5.035
  288   HD12  LEU  39          HD12      LEU  39  81.225  -4.548  -3.352
  289   HD13  LEU  39          HD13      LEU  39  82.565  -3.605  -3.979
  290   HD21  LEU  39          HD21      LEU  39  80.398  -1.396  -1.793
  291   HD22  LEU  39          HD22      LEU  39  82.061  -1.960  -1.977
  292   HD23  LEU  39          HD23      LEU  39  80.774  -3.101  -1.589
  293    H    ASP  40           HN       ASP  40  82.768  -2.652  -5.460
  294    HA   ASP  40           HA       ASP  40  83.979  -2.448  -8.003
  295    HB2  ASP  40           HB2      ASP  40  85.336  -4.396  -7.270
  296    HB3  ASP  40           HB1      ASP  40  85.253  -3.203  -5.978
  297    H    ASP  41           HN       ASP  41  84.080  -4.517  -9.421
  298    HA   ASP  41           HA       ASP  41  81.426  -5.122 -10.156
  299    HB2  ASP  41           HB2      ASP  41  83.350  -5.121 -11.728
  300    HB3  ASP  41           HB1      ASP  41  83.912  -6.621 -10.992
  301    H    GLU  42           HN       GLU  42  81.730  -5.948  -7.370
  302    HA   GLU  42           HA       GLU  42  81.052  -8.804  -7.729
  303    HB2  GLU  42           HB2      GLU  42  82.913  -7.660  -5.628
  304    HB3  GLU  42           HB1      GLU  42  82.142  -9.233  -5.467
  305    HG2  GLU  42           HG2      GLU  42  83.122  -9.788  -7.778
  306    HG3  GLU  42           HG1      GLU  42  84.114  -8.342  -7.580
  307    HA   PRO  43           HA       PRO  43  77.399  -7.583  -5.511
  308    HB2  PRO  43           HB2      PRO  43  77.118 -10.106  -4.099
  309    HB3  PRO  43           HB1      PRO  43  76.187  -9.514  -5.481
  310    HG2  PRO  43           HG2      PRO  43  78.225 -11.543  -5.441
  311    HG3  PRO  43           HG1      PRO  43  77.232 -11.004  -6.806
  312    HD2  PRO  43           HD2      PRO  43  80.030 -10.510  -6.423
  313    HD3  PRO  43           HD1      PRO  43  78.991  -9.841  -7.693
  314    H    VAL  44           HN       VAL  44  77.021  -6.636  -3.499
  315    HA   VAL  44           HA       VAL  44  79.257  -6.741  -1.642
  316    HB   VAL  44           HB       VAL  44  76.733  -5.155  -1.217
  317   HG11  VAL  44          HG11      VAL  44  78.433  -3.526  -0.338
  318   HG12  VAL  44          HG12      VAL  44  79.655  -4.778  -0.554
  319   HG13  VAL  44          HG13      VAL  44  78.325  -5.033   0.566
  320   HG21  VAL  44          HG21      VAL  44  78.944  -4.643  -3.204
  321   HG22  VAL  44          HG22      VAL  44  77.916  -3.348  -2.584
  322   HG23  VAL  44          HG23      VAL  44  77.212  -4.684  -3.490
  323    H    ARG  45           HN       ARG  45  79.018  -8.873  -0.896
  324    HA   ARG  45           HA       ARG  45  77.293  -9.059   1.433
  325    HB2  ARG  45           HB2      ARG  45  75.915 -10.040  -0.399
  326    HB3  ARG  45           HB1      ARG  45  77.210 -11.195  -0.718
  327    HG2  ARG  45           HG2      ARG  45  76.942 -12.258   1.401
  328    HG3  ARG  45           HG1      ARG  45  76.000 -10.912   2.042
  329    HD2  ARG  45           HD2      ARG  45  74.542 -12.806   1.486
  330    HD3  ARG  45           HD1      ARG  45  74.189 -11.399   0.493
  331    HE   ARG  45           HE       ARG  45  76.052 -13.180  -0.795
  332   HH11  ARG  45          HH11      ARG  45  72.846 -13.478   0.351
  333   HH12  ARG  45          HH12      ARG  45  72.189 -14.017  -1.158
  334   HH21  ARG  45          HH21      ARG  45  75.122 -13.523  -2.926
  335   HH22  ARG  45          HH22      ARG  45  73.473 -14.051  -3.003
  336    H    THR  46           HN       THR  46  78.922 -11.588  -0.363
  337    HA   THR  46           HA       THR  46  80.746 -12.891   0.120
  338    HB   THR  46           HB       THR  46  82.744 -11.724   0.573
  339    HG1  THR  46           HG1      THR  46  82.836 -10.284   2.132
  340   HG21  THR  46          HG21      THR  46  80.934  -9.512  -0.361
  341   HG22  THR  46          HG22      THR  46  81.334 -10.888  -1.390
  342   HG23  THR  46          HG23      THR  46  82.610  -9.811  -0.814
  343    H    SER  47           HN       SER  47  82.210 -11.659   2.779
  344    HA   SER  47           HA       SER  47  80.627 -13.257   4.716
  345    HB2  SER  47           HB2      SER  47  82.590 -14.522   3.707
  346    HB3  SER  47           HB1      SER  47  83.637 -13.383   4.549
  347    HG   SER  47           HG       SER  47  82.083 -14.033   6.392
  348    H    GLU  48           HN       GLU  48  82.925 -12.966   6.619
  349    HA   GLU  48           HA       GLU  48  81.962 -10.711   7.997
  350    HB2  GLU  48           HB2      GLU  48  83.063 -12.601   9.106
  351    HB3  GLU  48           HB1      GLU  48  84.599 -12.159   8.368
  352    HG2  GLU  48           HG2      GLU  48  84.573 -10.014   9.563
  353    HG3  GLU  48           HG1      GLU  48  82.995 -10.406  10.250
  354    H    ASN  49           HN       ASN  49  84.948 -11.023   6.052
  355    HA   ASN  49           HA       ASN  49  85.958  -8.459   6.654
  356    HB2  ASN  49           HB2      ASN  49  86.334 -10.098   4.154
  357    HB3  ASN  49           HB1      ASN  49  87.325  -8.729   4.644
  358   HD21  ASN  49          HD21      ASN  49  87.585 -11.909   4.512
  359   HD22  ASN  49          HD22      ASN  49  88.466 -12.228   5.924
  360    H    ALA  50           HN       ALA  50  83.079  -9.023   5.239
  361    HA   ALA  50           HA       ALA  50  82.617  -6.383   4.385
  362    HB1  ALA  50           HB1      ALA  50  84.026  -6.768   2.463
  363    HB2  ALA  50           HB2      ALA  50  82.358  -6.884   1.904
  364    HB3  ALA  50           HB3      ALA  50  83.296  -8.348   2.182
  365    H    GLU  51           HN       GLU  51  80.401  -6.124   4.347
  366    HA   GLU  51           HA       GLU  51  78.546  -7.947   3.267
  367    HB2  GLU  51           HB2      GLU  51  79.261  -9.405   5.196
  368    HB3  GLU  51           HB1      GLU  51  78.752  -8.131   6.298
  369    HG2  GLU  51           HG2      GLU  51  76.453  -8.293   5.471
  370    HG3  GLU  51           HG1      GLU  51  76.942  -9.518   4.300
  371    H    VAL  52           HN       VAL  52  76.351  -7.044   3.327
  372    HA   VAL  52           HA       VAL  52  76.268  -4.321   4.471
  373    HB   VAL  52           HB       VAL  52  74.101  -5.529   2.744
  374   HG11  VAL  52          HG11      VAL  52  75.198  -2.720   3.061
  375   HG12  VAL  52          HG12      VAL  52  73.739  -3.338   3.840
  376   HG13  VAL  52          HG13      VAL  52  73.808  -3.185   2.082
  377   HG21  VAL  52          HG21      VAL  52  76.479  -4.038   1.602
  378   HG22  VAL  52          HG22      VAL  52  75.233  -4.949   0.746
  379   HG23  VAL  52          HG23      VAL  52  76.449  -5.791   1.693
  380    H    VAL  53           HN       VAL  53  74.570  -3.604   5.770
  381    HA   VAL  53           HA       VAL  53  72.718  -5.605   6.885
  382    HB   VAL  53           HB       VAL  53  73.163  -4.739   9.169
  383   HG11  VAL  53          HG11      VAL  53  74.243  -6.804   8.470
  384   HG12  VAL  53          HG12      VAL  53  75.356  -5.879   9.475
  385   HG13  VAL  53          HG13      VAL  53  75.564  -5.903   7.723
  386   HG21  VAL  53          HG21      VAL  53  75.269  -3.424   9.512
  387   HG22  VAL  53          HG22      VAL  53  74.060  -2.539   8.583
  388   HG23  VAL  53          HG23      VAL  53  75.433  -3.285   7.763
  389    H    PHE  54           HN       PHE  54  70.708  -4.680   7.421
  390    HA   PHE  54           HA       PHE  54  70.497  -1.741   7.258
  391    HB2  PHE  54           HB2      PHE  54  68.691  -1.777   5.727
  392    HB3  PHE  54           HB1      PHE  54  69.931  -2.810   5.023
  393    HD1  PHE  54           HD1      PHE  54  66.678  -2.809   6.849
  394    HD2  PHE  54           HD2      PHE  54  69.594  -5.158   4.751
  395    HE1  PHE  54           HE1      PHE  54  65.085  -4.722   6.772
  396    HE2  PHE  54           HE2      PHE  54  68.012  -7.063   4.675
  397    HZ   PHE  54           HZ       PHE  54  65.742  -6.845   5.658
  398    H    PHE  55           HN       PHE  55  69.247  -0.858   8.708
  399    HA   PHE  55           HA       PHE  55  67.530  -2.645  10.347
  400    HB2  PHE  55           HB2      PHE  55  68.831  -0.086  11.276
  401    HB3  PHE  55           HB1      PHE  55  68.052  -1.329  12.252
  402    HD1  PHE  55           HD1      PHE  55  69.082  -3.720  12.214
  403    HD2  PHE  55           HD2      PHE  55  71.133  -0.197  10.828
  404    HE1  PHE  55           HE1      PHE  55  71.264  -4.884  12.456
  405    HE2  PHE  55           HE2      PHE  55  73.295  -1.359  11.087
  406    HZ   PHE  55           HZ       PHE  55  73.372  -3.692  11.896
  407    H    GLU  56           HN       GLU  56  65.909  -1.265  11.632
  408    HA   GLU  56           HA       GLU  56  64.001  -0.072  11.646
  409    HB2  GLU  56           HB2      GLU  56  65.643   1.719   9.858
  410    HB3  GLU  56           HB1      GLU  56  64.016   2.123  10.412
  411    HG2  GLU  56           HG2      GLU  56  64.723   1.951  12.742
  412    HG3  GLU  56           HG1      GLU  56  66.315   1.386  12.240
  413    H    ASN  57           HN       ASN  57  64.327  -2.237   9.749
  414    HA   ASN  57           HA       ASN  57  63.041  -3.276   8.121
  415    HB2  ASN  57           HB2      ASN  57  61.174  -2.155   9.422
  416    HB3  ASN  57           HB1      ASN  57  61.205  -0.872   8.212
  417   HD21  ASN  57          HD21      ASN  57  59.083  -1.457   7.303
  418   HD22  ASN  57          HD22      ASN  57  58.862  -2.902   6.440
  419    H    GLY  58           HN       GLY  58  65.256  -1.764   7.260
  420    HA2  GLY  58           HA2      GLY  58  66.126  -1.320   5.142
  421    HA3  GLY  58           HA1      GLY  58  64.501  -1.415   4.485
  422    H    LEU  59           HN       LEU  59  64.887   0.743   7.169
  423    HA   LEU  59           HA       LEU  59  64.423   3.011   5.377
  424    HB2  LEU  59           HB2      LEU  59  63.257   2.591   7.666
  425    HB3  LEU  59           HB1      LEU  59  64.736   3.234   8.364
  426    HG   LEU  59           HG       LEU  59  64.433   5.248   6.815
  427   HD11  LEU  59          HD11      LEU  59  62.861   4.716   5.204
  428   HD12  LEU  59          HD12      LEU  59  61.827   5.531   6.369
  429   HD13  LEU  59          HD13      LEU  59  61.865   3.771   6.306
  430   HD21  LEU  59          HD21      LEU  59  63.980   5.297   9.242
  431   HD22  LEU  59          HD22      LEU  59  62.338   4.724   8.949
  432   HD23  LEU  59          HD23      LEU  59  62.833   6.309   8.362
  433    H    ARG  60           HN       ARG  60  67.058   1.450   6.741
  434    HA   ARG  60           HA       ARG  60  68.871   3.637   5.984
  435    HB2  ARG  60           HB2      ARG  60  68.372   3.748   8.485
  436    HB3  ARG  60           HB1      ARG  60  69.210   2.203   8.616
  437    HG2  ARG  60           HG2      ARG  60  71.235   3.190   7.671
  438    HG3  ARG  60           HG1      ARG  60  70.390   4.717   7.422
  439    HD2  ARG  60           HD2      ARG  60  70.737   3.438  10.148
  440    HD3  ARG  60           HD1      ARG  60  71.831   4.659   9.503
  441    HE   ARG  60           HE       ARG  60  69.244   5.700   9.308
  442   HH11  ARG  60          HH21      ARG  60  69.235   4.076  11.933
  443   HH12  ARG  60          HH22      ARG  60  69.571   5.341  13.066
  444   HH21  ARG  60          HH11      ARG  60  70.704   7.548  10.666
  445   HH22  ARG  60          HH12      ARG  60  70.443   7.294  12.359
  446    H    HIS  61           HN       HIS  61  71.016   2.937   5.549
  447    HA   HIS  61           HA       HIS  61  71.463   0.032   5.505
  448    HB2  HIS  61           HB2      HIS  61  71.500   1.840   3.079
  449    HB3  HIS  61           HB1      HIS  61  72.324   0.285   3.122
  450    HD1  HIS  61           HD1      HIS  61  68.859   1.783   3.335
  451    HD2  HIS  61           HD2      HIS  61  70.654  -1.959   2.951
  452    HE1  HIS  61           HE1      HIS  61  67.000   0.150   2.816
  453    H    LEU  62           HN       LEU  62  73.409  -0.441   6.193
  454    HA   LEU  62           HA       LEU  62  75.627   1.521   6.028
  455    HB2  LEU  62           HB2      LEU  62  75.056  -0.452   8.252
  456    HB3  LEU  62           HB1      LEU  62  76.451   0.615   8.152
  457    HG   LEU  62           HG       LEU  62  74.588   2.515   7.936
  458   HD11  LEU  62          HD11      LEU  62  72.634   1.927   9.418
  459   HD12  LEU  62          HD12      LEU  62  73.166   0.254   9.369
  460   HD13  LEU  62          HD13      LEU  62  72.629   1.044   7.892
  461   HD21  LEU  62          HD21      LEU  62  76.193   2.480   9.750
  462   HD22  LEU  62          HD22      LEU  62  75.384   1.107  10.509
  463   HD23  LEU  62          HD23      LEU  62  74.591   2.684  10.462
  464    H    LEU  63           HN       LEU  63  77.445   0.795   5.149
  465    HA   LEU  63           HA       LEU  63  77.753  -2.121   4.652
  466    HB2  LEU  63           HB2      LEU  63  77.393  -1.061   2.557
  467    HB3  LEU  63           HB1      LEU  63  78.416   0.308   2.995
  468    HG   LEU  63           HG       LEU  63  80.414  -1.061   2.888
  469   HD11  LEU  63          HD11      LEU  63  79.894  -3.188   3.706
  470   HD12  LEU  63          HD12      LEU  63  80.026  -3.527   1.986
  471   HD13  LEU  63          HD13      LEU  63  78.436  -3.339   2.732
  472   HD21  LEU  63          HD21      LEU  63  78.522  -1.263   0.549
  473   HD22  LEU  63          HD22      LEU  63  80.141  -1.957   0.463
  474   HD23  LEU  63          HD23      LEU  63  79.938  -0.233   0.757
  475    H    LEU  64           HN       LEU  64  79.385  -2.998   5.906
  476    HA   LEU  64           HA       LEU  64  81.623  -1.250   6.703
  477    HB2  LEU  64           HB2      LEU  64  80.154  -2.513   8.391
  478    HB3  LEU  64           HB1      LEU  64  80.878  -3.983   7.758
  479    HG   LEU  64           HG       LEU  64  82.653  -1.725   8.712
  480   HD11  LEU  64          HD11      LEU  64  81.230  -2.052  10.603
  481   HD12  LEU  64          HD12      LEU  64  82.692  -2.973  10.944
  482   HD13  LEU  64          HD13      LEU  64  81.233  -3.801  10.400
  483   HD21  LEU  64          HD21      LEU  64  84.082  -3.758   9.340
  484   HD22  LEU  64          HD22      LEU  64  83.862  -3.478   7.619
  485   HD23  LEU  64          HD23      LEU  64  82.927  -4.727   8.434
  486    H    LEU  65           HN       LEU  65  83.535  -1.529   5.736
  487    HA   LEU  65           HA       LEU  65  84.260  -4.148   4.527
  488    HB2  LEU  65           HB2      LEU  65  84.827  -1.365   3.422
  489    HB3  LEU  65           HB1      LEU  65  85.425  -2.872   2.736
  490    HG   LEU  65           HG       LEU  65  82.489  -2.215   3.075
  491   HD11  LEU  65          HD11      LEU  65  83.396  -0.668   1.455
  492   HD12  LEU  65          HD12      LEU  65  82.566  -1.936   0.558
  493   HD13  LEU  65          HD13      LEU  65  84.325  -1.944   0.667
  494   HD21  LEU  65          HD21      LEU  65  82.448  -4.090   1.239
  495   HD22  LEU  65          HD22      LEU  65  82.641  -4.556   2.921
  496   HD23  LEU  65          HD23      LEU  65  84.048  -4.506   1.858
  497    H    LYS  66           HN       LYS  66  86.144  -4.915   5.621
  498    HA   LYS  66           HA       LYS  66  87.732  -2.906   7.070
  499    HB2  LYS  66           HB2      LYS  66  87.779  -5.941   7.137
  500    HB3  LYS  66           HB1      LYS  66  88.673  -4.879   8.221
  501    HG2  LYS  66           HG2      LYS  66  86.599  -3.937   9.081
  502    HG3  LYS  66           HG1      LYS  66  85.649  -4.917   7.962
  503    HD2  LYS  66           HD2      LYS  66  86.620  -6.971   9.021
  504    HD3  LYS  66           HD1      LYS  66  87.446  -5.931  10.184
  505    HE2  LYS  66           HE2      LYS  66  85.246  -5.024  10.925
  506    HE3  LYS  66           HE1      LYS  66  84.434  -6.101   9.789
  507    HZ1  LYS  66           HZ1      LYS  66  84.992  -7.950  10.995
  508    HZ2  LYS  66           HZ2      LYS  66  84.743  -6.820  12.243
  509    HZ3  LYS  66           HZ3      LYS  66  86.321  -7.213  11.744
  510    H    ASN  67           HN       ASN  67  90.099  -4.268   7.308
  511    HA   ASN  67           HA       ASN  67  92.212  -4.028   6.287
  512    HB2  ASN  67           HB2      ASN  67  90.707  -6.176   4.815
  513    HB3  ASN  67           HB1      ASN  67  92.427  -5.893   4.561
  514   HD21  ASN  67          HD21      ASN  67  93.030  -5.174   7.338
  515   HD22  ASN  67          HD22      ASN  67  92.899  -6.597   8.249
  516    H    LEU  68           HN       LEU  68  90.698  -1.907   5.319
  517    HA   LEU  68           HA       LEU  68  90.577  -1.866   2.473
  518    HB2  LEU  68           HB2      LEU  68  90.720   0.415   4.457
  519    HB3  LEU  68           HB1      LEU  68  90.311   0.584   2.751
  520    HG   LEU  68           HG       LEU  68  88.799  -1.143   4.720
  521   HD11  LEU  68          HD11      LEU  68  88.657   1.365   5.101
  522   HD12  LEU  68          HD12      LEU  68  87.124   0.578   4.749
  523   HD13  LEU  68          HD13      LEU  68  87.942   1.497   3.493
  524   HD21  LEU  68          HD21      LEU  68  88.311  -2.110   2.634
  525   HD22  LEU  68          HD22      LEU  68  88.505  -0.583   1.770
  526   HD23  LEU  68          HD23      LEU  68  87.058  -0.873   2.733
  527    H    ARG  69           HN       ARG  69  92.294  -2.105   1.203
  528    HA   ARG  69           HA       ARG  69  94.850  -0.805   1.919
  529    HB2  ARG  69           HB2      ARG  69  94.704  -2.624  -0.442
  530    HB3  ARG  69           HB1      ARG  69  95.918  -2.535   0.835
  531    HG2  ARG  69           HG2      ARG  69  94.317  -3.616   2.401
  532    HG3  ARG  69           HG1      ARG  69  93.164  -3.772   1.076
  533    HD2  ARG  69           HD2      ARG  69  94.755  -5.157  -0.167
  534    HD3  ARG  69           HD1      ARG  69  95.939  -4.983   1.125
  535    HE   ARG  69           HE       ARG  69  94.740  -6.531   2.380
  536   HH11  ARG  69          HH11      ARG  69  92.861  -5.412  -0.294
  537   HH12  ARG  69          HH12      ARG  69  91.638  -6.627  -0.127
  538   HH21  ARG  69          HH21      ARG  69  93.167  -8.123   2.615
  539   HH22  ARG  69          HH22      ARG  69  91.806  -8.171   1.546
  540    HA   PRO  70           HA       PRO  70  94.512   2.011  -1.436
  541    HB2  PRO  70           HB2      PRO  70  96.700   1.273  -3.185
  542    HB3  PRO  70           HB1      PRO  70  96.660   2.571  -1.983
  543    HG2  PRO  70           HG2      PRO  70  98.172   0.221  -1.812
  544    HG3  PRO  70           HG1      PRO  70  97.848   1.355  -0.495
  545    HD2  PRO  70           HD2      PRO  70  96.634  -1.308  -1.008
  546    HD3  PRO  70           HD1      PRO  70  96.780  -0.420   0.528
  547    H    GLN  71           HN       GLN  71  95.055  -1.259  -2.570
  548    HA   GLN  71           HA       GLN  71  94.089  -1.052  -5.180
  549    HB2  GLN  71           HB2      GLN  71  95.151  -3.107  -4.343
  550    HB3  GLN  71           HB1      GLN  71  93.765  -3.405  -3.293
  551    HG2  GLN  71           HG2      GLN  71  92.288  -3.625  -5.234
  552    HG3  GLN  71           HG1      GLN  71  93.603  -3.180  -6.318
  553   HE21  GLN  71          HE21      GLN  71  94.360  -5.010  -7.373
  554   HE22  GLN  71          HE22      GLN  71  94.536  -6.542  -6.665
  555    H    ASP  72           HN       ASP  72  92.227  -2.060  -2.274
  556    HA   ASP  72           HA       ASP  72  89.757  -2.314  -3.369
  557    HB2  ASP  72           HB2      ASP  72  90.555  -1.173  -0.701
  558    HB3  ASP  72           HB1      ASP  72  88.882  -1.503  -1.134
  559    H    SER  73           HN       SER  73  91.270   0.904  -2.468
  560    HA   SER  73           HA       SER  73  89.176   2.573  -2.646
  561    HB2  SER  73           HB2      SER  73  91.443   3.376  -2.371
  562    HB3  SER  73           HB1      SER  73  91.855   2.875  -4.007
  563    HG   SER  73           HG       SER  73  90.424   4.421  -4.790
  564    H    CYS  74           HN       CYS  74  87.484   2.555  -3.977
  565    HA   CYS  74           HA       CYS  74  87.888   2.731  -6.848
  566    HB2  CYS  74           HB2      CYS  74  87.799   0.236  -6.126
  567    HB3  CYS  74           HB1      CYS  74  86.070   0.523  -5.937
  568    HG   CYS  74           HG       CYS  74  86.018   1.276  -8.476
  569    H    ARG  75           HN       ARG  75  85.206   1.958  -7.489
  570    HA   ARG  75           HA       ARG  75  83.800   4.413  -6.696
  571    HB2  ARG  75           HB2      ARG  75  83.962   3.945  -9.080
  572    HB3  ARG  75           HB1      ARG  75  83.265   2.346  -8.837
  573    HG2  ARG  75           HG2      ARG  75  81.165   3.391  -8.028
  574    HG3  ARG  75           HG1      ARG  75  81.872   4.986  -8.315
  575    HD2  ARG  75           HD2      ARG  75  81.439   2.842 -10.418
  576    HD3  ARG  75           HD1      ARG  75  80.431   4.274 -10.193
  577    HE   ARG  75           HE       ARG  75  83.098   4.205 -11.365
  578   HH11  ARG  75          HH21      ARG  75  80.534   5.818 -12.156
  579   HH12  ARG  75          HH22      ARG  75  81.102   7.427 -11.860
  580   HH21  ARG  75          HH11      ARG  75  83.845   6.425 -10.022
  581   HH22  ARG  75          HH12      ARG  75  82.954   7.764 -10.662
  582    H    VAL  76           HN       VAL  76  82.105   4.435  -5.341
  583    HA   VAL  76           HA       VAL  76  80.858   1.866  -4.523
  584    HB   VAL  76           HB       VAL  76  80.816   4.482  -3.004
  585   HG11  VAL  76          HG11      VAL  76  79.120   2.519  -2.603
  586   HG12  VAL  76          HG12      VAL  76  79.931   3.253  -1.219
  587   HG13  VAL  76          HG13      VAL  76  80.502   1.711  -1.856
  588   HG21  VAL  76          HG21      VAL  76  82.589   3.473  -1.589
  589   HG22  VAL  76          HG22      VAL  76  83.131   3.770  -3.243
  590   HG23  VAL  76          HG23      VAL  76  82.711   2.134  -2.729
  591    H    THR  77           HN       THR  77  78.882   1.577  -5.395
  592    HA   THR  77           HA       THR  77  77.146   3.963  -5.796
  593    HB   THR  77           HB       THR  77  77.430   1.629  -7.689
  594    HG1  THR  77           HG1      THR  77  78.112   3.767  -8.896
  595   HG21  THR  77          HG21      THR  77  76.104   3.107  -9.192
  596   HG22  THR  77          HG22      THR  77  75.905   4.231  -7.845
  597   HG23  THR  77          HG23      THR  77  75.209   2.610  -7.755
  598    H    PHE  78           HN       PHE  78  75.201   3.778  -4.943
  599    HA   PHE  78           HA       PHE  78  74.068   1.093  -4.363
  600    HB2  PHE  78           HB2      PHE  78  74.684   1.936  -2.260
  601    HB3  PHE  78           HB1      PHE  78  74.291   3.592  -2.708
  602    HD1  PHE  78           HD1      PHE  78  72.405   0.314  -2.772
  603    HD2  PHE  78           HD2      PHE  78  72.486   4.427  -1.500
  604    HE1  PHE  78           HE1      PHE  78  70.174   0.049  -1.737
  605    HE2  PHE  78           HE2      PHE  78  70.269   4.140  -0.441
  606    HZ   PHE  78           HZ       PHE  78  69.110   1.954  -0.551
  607    H    LEU  79           HN       LEU  79  72.360   0.831  -5.702
  608    HA   LEU  79           HA       LEU  79  70.739   3.206  -6.435
  609    HB2  LEU  79           HB2      LEU  79  72.077   1.898  -8.184
  610    HB3  LEU  79           HB1      LEU  79  70.866   0.633  -7.994
  611    HG   LEU  79           HG       LEU  79  70.233   3.524  -8.663
  612   HD11  LEU  79          HD11      LEU  79  69.866   2.632 -10.959
  613   HD12  LEU  79          HD12      LEU  79  70.531   1.089 -10.416
  614   HD13  LEU  79          HD13      LEU  79  71.548   2.533 -10.429
  615   HD21  LEU  79          HD21      LEU  79  68.229   2.599  -7.800
  616   HD22  LEU  79          HD22      LEU  79  68.587   0.998  -8.457
  617   HD23  LEU  79          HD23      LEU  79  68.089   2.302  -9.525
  618    H    ALA  80           HN       ALA  80  69.196   3.145  -4.830
  619    HA   ALA  80           HA       ALA  80  67.473   0.732  -4.717
  620    HB1  ALA  80           HB1      ALA  80  66.449   2.045  -2.720
  621    HB2  ALA  80           HB2      ALA  80  67.913   3.025  -2.798
  622    HB3  ALA  80           HB3      ALA  80  68.024   1.292  -2.499
  623    H    GLY  81           HN       GLY  81  66.408   1.117  -6.680
  624    HA2  GLY  81           HA2      GLY  81  64.822   2.041  -8.088
  625    HA3  GLY  81           HA1      GLY  81  64.037   2.540  -6.596
  626    H    ASP  82           HN       ASP  82  63.278   4.480  -7.566
  627    HA   ASP  82           HA       ASP  82  64.500   6.333  -9.066
  628    HB2  ASP  82           HB2      ASP  82  62.624   6.743  -6.724
  629    HB3  ASP  82           HB1      ASP  82  63.161   8.080  -7.742
  630    H    MET  83           HN       MET  83  65.625   5.426  -6.033
  631    HA   MET  83           HA       MET  83  67.116   7.930  -5.581
  632    HB2  MET  83           HB2      MET  83  67.055   5.411  -3.922
  633    HB3  MET  83           HB1      MET  83  67.699   6.978  -3.452
  634    HG2  MET  83           HG2      MET  83  65.406   7.959  -3.738
  635    HG3  MET  83           HG1      MET  83  64.781   6.332  -4.018
  636    HE1  MET  83           HE1      MET  83  63.530   7.430  -0.576
  637    HE2  MET  83           HE2      MET  83  63.170   6.005  -1.542
  638    HE3  MET  83           HE3      MET  83  63.336   7.571  -2.330
  639    H    VAL  84           HN       VAL  84  69.004   8.095  -6.680
  640    HA   VAL  84           HA       VAL  84  70.740   5.699  -6.829
  641    HB   VAL  84           HB       VAL  84  69.976   6.145  -9.075
  642   HG11  VAL  84          HG11      VAL  84  70.152   8.339 -10.132
  643   HG12  VAL  84          HG12      VAL  84  70.854   9.016  -8.662
  644   HG13  VAL  84          HG13      VAL  84  69.175   8.474  -8.667
  645   HG21  VAL  84          HG21      VAL  84  72.070   6.504 -10.150
  646   HG22  VAL  84          HG22      VAL  84  72.455   5.763  -8.598
  647   HG23  VAL  84          HG23      VAL  84  72.673   7.502  -8.826
  648    H    THR  85           HN       THR  85  72.682   5.959  -5.888
  649    HA   THR  85           HA       THR  85  73.680   8.715  -5.438
  650    HB   THR  85           HB       THR  85  74.008   8.357  -3.148
  651    HG1  THR  85           HG1      THR  85  74.751   6.022  -3.856
  652   HG21  THR  85          HG21      THR  85  71.901   7.364  -2.257
  653   HG22  THR  85          HG22      THR  85  71.534   6.726  -3.846
  654   HG23  THR  85          HG23      THR  85  71.594   8.470  -3.594
  655    H    SER  86           HN       SER  86  75.971   8.874  -5.160
  656    HA   SER  86           HA       SER  86  77.608   6.499  -5.511
  657    HB2  SER  86           HB2      SER  86  76.983   6.959  -7.811
  658    HB3  SER  86           HB1      SER  86  77.411   8.654  -7.625
  659    HG   SER  86           HG       SER  86  79.563   8.014  -7.318
  660    H    ALA  87           HN       ALA  87  79.434   6.755  -4.340
  661    HA   ALA  87           HA       ALA  87  80.510   9.483  -3.950
  662    HB1  ALA  87           HB1      ALA  87  80.817   9.107  -1.603
  663    HB2  ALA  87           HB2      ALA  87  80.312   7.426  -1.742
  664    HB3  ALA  87           HB3      ALA  87  79.135   8.720  -1.959
  665    H    PHE  88           HN       PHE  88  82.758   9.588  -3.664
  666    HA   PHE  88           HA       PHE  88  84.199   7.388  -4.855
  667    HB2  PHE  88           HB2      PHE  88  85.182  10.048  -3.791
  668    HB3  PHE  88           HB1      PHE  88  86.136   8.892  -4.723
  669    HD1  PHE  88           HD1      PHE  88  85.147   8.126  -7.015
  670    HD2  PHE  88           HD2      PHE  88  83.911  11.695  -4.967
  671    HE1  PHE  88           HE1      PHE  88  84.278   9.045  -9.148
  672    HE2  PHE  88           HE2      PHE  88  83.048  12.614  -7.108
  673    HZ   PHE  88           HZ       PHE  88  83.231  11.284  -9.186
  674    H    LEU  89           HN       LEU  89  86.259   6.689  -3.977
  675    HA   LEU  89           HA       LEU  89  86.281   6.454  -1.024
  676    HB2  LEU  89           HB2      LEU  89  85.357   4.350  -1.867
  677    HB3  LEU  89           HB1      LEU  89  86.719   4.167  -2.972
  678    HG   LEU  89           HG       LEU  89  88.260   4.102  -1.016
  679   HD11  LEU  89          HD11      LEU  89  87.288   5.266   0.751
  680   HD12  LEU  89          HD12      LEU  89  86.896   3.616   1.231
  681   HD13  LEU  89          HD13      LEU  89  85.682   4.618   0.438
  682   HD21  LEU  89          HD21      LEU  89  86.054   2.102  -0.549
  683   HD22  LEU  89          HD22      LEU  89  87.798   1.864  -0.440
  684   HD23  LEU  89          HD23      LEU  89  87.029   2.043  -2.020
  685    H    THR  90           HN       THR  90  88.306   6.503  -0.104
  686    HA   THR  90           HA       THR  90  90.644   6.614  -1.904
  687    HB   THR  90           HB       THR  90  90.034   8.655   0.240
  688    HG1  THR  90           HG1      THR  90  88.833   9.089  -1.583
  689   HG21  THR  90          HG21      THR  90  92.371   8.403   0.212
  690   HG22  THR  90          HG22      THR  90  92.091   9.736  -0.905
  691   HG23  THR  90          HG23      THR  90  92.421   8.119  -1.531
  692    H    VAL  91           HN       VAL  91  92.213   5.338  -1.225
  693    HA   VAL  91           HA       VAL  91  92.630   4.991   1.679
  694    HB   VAL  91           HB       VAL  91  92.624   2.705  -0.288
  695   HG11  VAL  91          HG11      VAL  91  93.229   2.983   2.655
  696   HG12  VAL  91          HG12      VAL  91  94.198   2.225   1.396
  697   HG13  VAL  91          HG13      VAL  91  92.729   1.443   1.963
  698   HG21  VAL  91          HG21      VAL  91  90.348   3.521   0.190
  699   HG22  VAL  91          HG22      VAL  91  90.664   3.395   1.919
  700   HG23  VAL  91          HG23      VAL  91  90.622   1.944   0.920
  701    H    ARG  92           HN       ARG  92  94.692   5.420   2.191
  702    HA   ARG  92           HA       ARG  92  96.678   5.756   0.132
  703    HB2  ARG  92           HB2      ARG  92  96.713   6.101   3.128
  704    HB3  ARG  92           HB1      ARG  92  98.096   6.458   2.092
  705    HG2  ARG  92           HG2      ARG  92  96.714   8.041   0.803
  706    HG3  ARG  92           HG1      ARG  92  95.339   7.699   1.853
  707    HD2  ARG  92           HD2      ARG  92  96.632   8.524   3.791
  708    HD3  ARG  92           HD1      ARG  92  97.990   8.871   2.726
  709    HE   ARG  92           HE       ARG  92  96.861  10.764   1.963
  710   HH11  ARG  92          HH11      ARG  92  94.580   8.527   3.256
  711   HH12  ARG  92          HH12      ARG  92  93.358   9.718   3.553
  712   HH21  ARG  92          HH21      ARG  92  95.331  12.371   2.501
  713   HH22  ARG  92          HH22      ARG  92  93.781  11.896   3.104
  714    H    GLY  93           HN       GLY  93  98.957   5.017   0.594
  715    HA2  GLY  93           HA2      GLY  93  99.074   2.259   1.652
  716    HA3  GLY  93           HA1      GLY  93  99.696   2.623   0.042
  717    H    GLY  94           HN       GLY  94 101.746   3.285  -0.143
  718    HA2  GLY  94           HA2      GLY  94 103.310   3.826   2.294
  719    HA3  GLY  94           HA1      GLY  94 103.957   3.396   0.711
  720    H    LEU  95           HN       LEU  95 103.986   5.878   2.768
  721    HA   LEU  95           HA       LEU  95 103.364   8.033   0.873
  722    HB2  LEU  95           HB2      LEU  95 104.230   7.991   3.769
  723    HB3  LEU  95           HB1      LEU  95 104.026   9.477   2.845
  724    HG   LEU  95           HG       LEU  95 101.852   7.382   3.135
  725   HD11  LEU  95          HD11      LEU  95 102.125   9.980   4.672
  726   HD12  LEU  95          HD12      LEU  95 102.504   8.391   5.335
  727   HD13  LEU  95          HD13      LEU  95 100.852   8.769   4.849
  728   HD21  LEU  95          HD21      LEU  95 100.537   9.675   2.602
  729   HD22  LEU  95          HD22      LEU  95 101.185   8.670   1.314
  730   HD23  LEU  95          HD23      LEU  95 102.075  10.093   1.847
  731    H    GLU  96           HN       GLU  96 106.170   6.922   2.813
  732    HA   GLU  96           HA       GLU  96 107.965   7.850   0.680
  733    HB2  GLU  96           HB2      GLU  96 108.181   8.757   3.576
  734    HB3  GLU  96           HB1      GLU  96 109.440   8.978   2.366
  735    HG2  GLU  96           HG2      GLU  96 107.936  10.333   1.004
  736    HG3  GLU  96           HG1      GLU  96 106.632  10.088   2.160
  737    H    HIS  97           HN       HIS  97 110.128   7.465   2.907
  738    HA   HIS  97           HA       HIS  97 110.511   4.636   2.385
  739    HB2  HIS  97           HB2      HIS  97 112.658   4.975   3.546
  740    HB3  HIS  97           HB1      HIS  97 112.390   6.170   2.279
  741    HD1  HIS  97           HD1      HIS  97 111.599   8.578   3.055
  742    HD2  HIS  97           HD2      HIS  97 112.873   6.055   6.124
  743    HE1  HIS  97           HE1      HIS  97 111.980  10.059   5.072
  744    H    HIS  98           HN       HIS  98 110.816   2.994   3.988
  745    HA   HIS  98           HA       HIS  98 109.781   3.570   6.703
  746    HB2  HIS  98           HB2      HIS  98 107.935   2.585   5.360
  747    HB3  HIS  98           HB1      HIS  98 108.965   1.207   4.976
  748    HD1  HIS  98           HD1      HIS  98 107.319   2.913   7.921
  749    HD2  HIS  98           HD2      HIS  98 109.100  -0.743   7.001
  750    HE1  HIS  98           HE1      HIS  98 106.924   1.415   9.912
  751    H    HIS  99           HN       HIS  99 110.724   2.359   8.329
  752    HA   HIS  99           HA       HIS  99 113.221   1.015   7.610
  753    HB2  HIS  99           HB2      HIS  99 112.025   1.751  10.293
  754    HB3  HIS  99           HB1      HIS  99 113.619   1.034  10.058
  755    HD1  HIS  99           HD1      HIS  99 115.325   2.546   8.520
  756    HD2  HIS  99           HD2      HIS  99 111.959   4.505  10.021
  757    HE1  HIS  99           HE1      HIS  99 115.782   5.027   8.324
  758    H    HIS 100           HN       HIS 100 113.365  -1.104   7.392
  759    HA   HIS 100           HA       HIS 100 111.514  -2.894   8.856
  760    HB2  HIS 100           HB2      HIS 100 110.752  -2.611   6.491
  761    HB3  HIS 100           HB1      HIS 100 112.319  -3.225   5.956
  762    HD1  HIS 100           HD1      HIS 100 109.617  -4.346   8.421
  763    HD2  HIS 100           HD2      HIS 100 112.237  -5.976   5.606
  764    HE1  HIS 100           HE1      HIS 100 109.214  -6.850   8.410
  765    H    HIS 101           HN       HIS 101 112.477  -4.544   9.822
  766    HA   HIS 101           HA       HIS 101 115.379  -4.882   9.493
  767    HB2  HIS 101           HB2      HIS 101 114.374  -4.512  11.741
  768    HB3  HIS 101           HB1      HIS 101 113.511  -6.042  11.571
  769    HD1  HIS 101           HD1      HIS 101 114.715  -7.779  12.874
  770    HD2  HIS 101           HD2      HIS 101 117.380  -5.218  10.945
  771    HE1  HIS 101           HE1      HIS 101 117.041  -8.670  13.349
  772    H    HIS 102           HN       HIS 102 116.080  -6.419   8.192
  773    HA   HIS 102           HA       HIS 102 116.201  -8.382   6.985
  774    HB2  HIS 102           HB2      HIS 102 116.259  -9.147   9.416
  775    HB3  HIS 102           HB1      HIS 102 114.557  -9.560   9.220
  776    HD1  HIS 102           HD1      HIS 102 117.960 -10.379   7.746
  777    HD2  HIS 102           HD2      HIS 102 114.110 -11.991   7.918
  778    HE1  HIS 102           HE1      HIS 102 118.102 -12.686   6.714
  Start of MODEL   16
    1    H1   THR   1           HT1      THR   1  54.955  -0.121  -2.590
    2    H2   THR   1           HT2      THR   1  55.845  -0.766  -3.886
    3    H3   THR   1           HT3      THR   1  54.168  -0.542  -4.034
    4    HA   THR   1           HA       THR   1  56.263   1.548  -3.873
    5    HB   THR   1           HB       THR   1  54.123   1.067  -5.960
    6    HG1  THR   1           HG1      THR   1  55.563  -0.692  -5.858
    7   HG21  THR   1          HG21      THR   1  55.237   3.345  -5.702
    8   HG22  THR   1          HG22      THR   1  55.381   2.598  -7.294
    9   HG23  THR   1          HG23      THR   1  56.744   2.560  -6.173
   10    H    ALA   2           HN       ALA   2  55.639   3.011  -2.405
   11    HA   ALA   2           HA       ALA   2  52.950   4.185  -2.629
   12    HB1  ALA   2           HB1      ALA   2  54.165   3.270  -0.012
   13    HB2  ALA   2           HB2      ALA   2  52.800   2.503  -0.826
   14    HB3  ALA   2           HB3      ALA   2  52.646   4.145  -0.199
   15    H    LYS   3           HN       LYS   3  56.250   4.325  -1.387
   16    HA   LYS   3           HA       LYS   3  56.497   7.090  -2.014
   17    HB2  LYS   3           HB2      LYS   3  55.163   7.278   0.083
   18    HB3  LYS   3           HB1      LYS   3  56.414   6.371   0.934
   19    HG2  LYS   3           HG2      LYS   3  56.816   8.699   1.377
   20    HG3  LYS   3           HG1      LYS   3  58.060   8.180   0.248
   21    HD2  LYS   3           HD2      LYS   3  56.998   9.263  -1.587
   22    HD3  LYS   3           HD1      LYS   3  55.489   9.464  -0.696
   23    HE2  LYS   3           HE2      LYS   3  58.129  10.823  -0.075
   24    HE3  LYS   3           HE1      LYS   3  56.714  11.591  -0.797
   25    HZ1  LYS   3           HZ1      LYS   3  56.570  12.093   1.456
   26    HZ2  LYS   3           HZ2      LYS   3  57.041  10.535   1.941
   27    HZ3  LYS   3           HZ3      LYS   3  55.501  10.789   1.271
   28    H    ASN   4           HN       ASN   4  58.540   7.086  -2.765
   29    HA   ASN   4           HA       ASN   4  60.653   5.929  -1.081
   30    HB2  ASN   4           HB2      ASN   4  61.729   4.934  -3.053
   31    HB3  ASN   4           HB1      ASN   4  60.145   4.219  -2.751
   32   HD21  ASN   4          HD21      ASN   4  61.403   4.214  -5.367
   33   HD22  ASN   4          HD22      ASN   4  60.443   5.167  -6.393
   34    H    THR   5           HN       THR   5  61.755   7.752  -0.543
   35    HA   THR   5           HA       THR   5  62.724   9.441  -2.759
   36    HB   THR   5           HB       THR   5  61.495  10.572  -0.236
   37    HG1  THR   5           HG1      THR   5  59.698  10.217  -1.231
   38   HG21  THR   5          HG21      THR   5  62.483  11.794  -2.824
   39   HG22  THR   5          HG22      THR   5  63.194  11.995  -1.222
   40   HG23  THR   5          HG23      THR   5  61.607  12.679  -1.575
   41    H    VAL   6           HN       VAL   6  64.858   9.367  -2.582
   42    HA   VAL   6           HA       VAL   6  66.244   8.670  -0.204
   43    HB   VAL   6           HB       VAL   6  67.130   8.340  -2.529
   44   HG11  VAL   6          HG11      VAL   6  67.895  11.262  -2.355
   45   HG12  VAL   6          HG12      VAL   6  66.463  10.720  -3.228
   46   HG13  VAL   6          HG13      VAL   6  68.065  10.180  -3.736
   47   HG21  VAL   6          HG21      VAL   6  68.552   8.306  -0.439
   48   HG22  VAL   6          HG22      VAL   6  68.943   9.996  -0.753
   49   HG23  VAL   6          HG23      VAL   6  69.430   8.751  -1.903
   50    H    VAL   7           HN       VAL   7  67.099   9.856   1.378
   51    HA   VAL   7           HA       VAL   7  66.571  12.754   1.399
   52    HB   VAL   7           HB       VAL   7  67.597  10.981   3.628
   53   HG11  VAL   7          HG11      VAL   7  66.096  13.596   3.820
   54   HG12  VAL   7          HG12      VAL   7  67.854  13.547   3.687
   55   HG13  VAL   7          HG13      VAL   7  67.053  12.794   5.065
   56   HG21  VAL   7          HG21      VAL   7  65.443  10.118   2.916
   57   HG22  VAL   7          HG22      VAL   7  64.767  11.746   2.844
   58   HG23  VAL   7          HG23      VAL   7  65.196  11.038   4.402
   59    H    ARG   8           HN       ARG   8  69.098  10.346   1.848
   60    HA   ARG   8           HA       ARG   8  71.074  12.092   0.667
   61    HB2  ARG   8           HB2      ARG   8  71.363  12.716   3.004
   62    HB3  ARG   8           HB1      ARG   8  71.429  11.017   3.479
   63    HG2  ARG   8           HG2      ARG   8  73.482  10.670   2.253
   64    HG3  ARG   8           HG1      ARG   8  73.373  12.265   1.507
   65    HD2  ARG   8           HD2      ARG   8  73.646  13.327   3.704
   66    HD3  ARG   8           HD1      ARG   8  73.676  11.747   4.484
   67    HE   ARG   8           HE       ARG   8  75.695  11.746   2.549
   68   HH11  ARG   8          HH21      ARG   8  75.984  11.333   5.583
   69   HH12  ARG   8          HH22      ARG   8  77.110  12.585   5.983
   70   HH21  ARG   8          HH11      ARG   8  76.671  14.295   2.995
   71   HH22  ARG   8          HH12      ARG   8  77.505  14.261   4.513
   72    H    GLY   9           HN       GLY   9  72.884  10.919  -0.021
   73    HA2  GLY   9           HA2      GLY   9  72.455   7.988  -0.187
   74    HA3  GLY   9           HA1      GLY   9  73.158   8.974  -1.454
   75    H    LEU  10           HN       LEU  10  75.035   7.876  -1.596
   76    HA   LEU  10           HA       LEU  10  76.702   7.235   0.625
   77    HB2  LEU  10           HB2      LEU  10  77.398   7.514  -2.316
   78    HB3  LEU  10           HB1      LEU  10  78.354   6.667  -1.102
   79    HG   LEU  10           HG       LEU  10  75.487   5.926  -1.772
   80   HD11  LEU  10          HD11      LEU  10  76.624   5.458  -3.786
   81   HD12  LEU  10          HD12      LEU  10  76.699   3.925  -2.916
   82   HD13  LEU  10          HD13      LEU  10  78.104   4.991  -2.948
   83   HD21  LEU  10          HD21      LEU  10  77.706   4.649  -0.159
   84   HD22  LEU  10          HD22      LEU  10  76.332   3.719  -0.746
   85   HD23  LEU  10          HD23      LEU  10  76.075   5.053   0.369
   86    H    GLU  11           HN       GLU  11  78.788   8.153   1.092
   87    HA   GLU  11           HA       GLU  11  79.228  10.928   0.191
   88    HB2  GLU  11           HB2      GLU  11  79.635  11.655   2.495
   89    HB3  GLU  11           HB1      GLU  11  77.992  11.038   2.328
   90    HG2  GLU  11           HG2      GLU  11  78.766   8.836   3.206
   91    HG3  GLU  11           HG1      GLU  11  80.365   9.532   3.464
   92    H    ASN  12           HN       ASN  12  81.410  11.652   0.527
   93    HA   ASN  12           HA       ASN  12  83.367   9.829  -0.245
   94    HB2  ASN  12           HB2      ASN  12  84.996  11.590   0.383
   95    HB3  ASN  12           HB1      ASN  12  83.643  12.220  -0.556
   96   HD21  ASN  12          HD21      ASN  12  84.543  14.292   0.654
   97   HD22  ASN  12          HD22      ASN  12  83.816  14.637   2.148
   98    H    VAL  13           HN       VAL  13  84.908   8.622   0.779
   99    HA   VAL  13           HA       VAL  13  84.949   8.628   3.747
  100    HB   VAL  13           HB       VAL  13  84.663   6.195   1.972
  101   HG11  VAL  13          HG11      VAL  13  84.707   5.002   4.250
  102   HG12  VAL  13          HG12      VAL  13  85.424   6.485   4.880
  103   HG13  VAL  13          HG13      VAL  13  86.257   5.569   3.623
  104   HG21  VAL  13          HG21      VAL  13  82.673   5.811   3.446
  105   HG22  VAL  13          HG22      VAL  13  82.545   7.289   2.495
  106   HG23  VAL  13          HG23      VAL  13  82.975   7.376   4.203
  107    H    GLU  14           HN       GLU  14  86.953   8.579   4.590
  108    HA   GLU  14           HA       GLU  14  89.222   7.758   2.858
  109    HB2  GLU  14           HB2      GLU  14  89.117  10.141   4.726
  110    HB3  GLU  14           HB1      GLU  14  90.553   9.577   3.872
  111    HG2  GLU  14           HG2      GLU  14  89.391   9.928   1.715
  112    HG3  GLU  14           HG1      GLU  14  87.984  10.537   2.583
  113    H    ALA  15           HN       ALA  15  90.631   6.375   3.796
  114    HA   ALA  15           HA       ALA  15  90.977   6.312   6.675
  115    HB1  ALA  15           HB1      ALA  15  89.078   4.915   6.677
  116    HB2  ALA  15           HB2      ALA  15  90.443   3.800   6.718
  117    HB3  ALA  15           HB3      ALA  15  89.578   4.085   5.207
  118    H    LEU  16           HN       LEU  16  92.838   5.256   7.316
  119    HA   LEU  16           HA       LEU  16  94.871   4.995   5.328
  120    HB2  LEU  16           HB2      LEU  16  96.267   4.208   7.271
  121    HB3  LEU  16           HB1      LEU  16  95.531   5.790   7.495
  122    HG   LEU  16           HG       LEU  16  93.861   3.502   8.437
  123   HD11  LEU  16          HD11      LEU  16  95.121   3.120  10.481
  124   HD12  LEU  16          HD12      LEU  16  96.354   4.278   9.983
  125   HD13  LEU  16          HD13      LEU  16  96.158   2.763   9.101
  126   HD21  LEU  16          HD21      LEU  16  93.515   6.073   8.746
  127   HD22  LEU  16          HD22      LEU  16  94.724   5.933  10.017
  128   HD23  LEU  16          HD23      LEU  16  93.219   5.022  10.128
  129    H    GLU  17           HN       GLU  17  96.093   3.093   4.851
  130    HA   GLU  17           HA       GLU  17  94.656   0.866   4.100
  131    HB2  GLU  17           HB2      GLU  17  97.026   1.483   3.469
  132    HB3  GLU  17           HB1      GLU  17  97.539   0.759   4.988
  133    HG2  GLU  17           HG2      GLU  17  95.857  -0.750   2.977
  134    HG3  GLU  17           HG1      GLU  17  97.617  -0.753   2.915
  135    H    GLY  18           HN       GLY  18  93.989  -0.997   5.014
  136    HA2  GLY  18           HA2      GLY  18  93.692  -2.668   6.582
  137    HA3  GLY  18           HA1      GLY  18  95.020  -1.985   7.515
  138    H    GLY  19           HN       GLY  19  92.466   0.128   6.564
  139    HA2  GLY  19           HA2      GLY  19  91.570   0.337   9.376
  140    HA3  GLY  19           HA1      GLY  19  91.374   1.566   8.130
  141    H    GLU  20           HN       GLU  20  89.116   1.666   8.678
  142    HA   GLU  20           HA       GLU  20  87.546  -0.470   7.362
  143    HB2  GLU  20           HB2      GLU  20  85.853  -0.344   9.118
  144    HB3  GLU  20           HB1      GLU  20  87.409  -0.796   9.812
  145    HG2  GLU  20           HG2      GLU  20  87.788   1.577  10.441
  146    HG3  GLU  20           HG1      GLU  20  86.188   1.978   9.821
  147    H    ALA  21           HN       ALA  21  85.379   0.273   6.726
  148    HA   ALA  21           HA       ALA  21  85.113   3.203   6.425
  149    HB1  ALA  21           HB1      ALA  21  84.359   2.668   3.989
  150    HB2  ALA  21           HB2      ALA  21  85.285   1.183   4.201
  151    HB3  ALA  21           HB3      ALA  21  86.086   2.747   4.343
  152    H    LEU  22           HN       LEU  22  83.078   3.938   6.457
  153    HA   LEU  22           HA       LEU  22  80.877   1.964   6.604
  154    HB2  LEU  22           HB2      LEU  22  81.389   4.402   8.312
  155    HB3  LEU  22           HB1      LEU  22  79.845   3.557   8.276
  156    HG   LEU  22           HG       LEU  22  82.464   2.150   8.872
  157   HD11  LEU  22          HD11      LEU  22  80.511   3.499  10.753
  158   HD12  LEU  22          HD12      LEU  22  82.240   3.810  10.594
  159   HD13  LEU  22          HD13      LEU  22  81.676   2.289  11.284
  160   HD21  LEU  22          HD21      LEU  22  79.531   1.432   9.033
  161   HD22  LEU  22          HD22      LEU  22  80.681   0.646  10.109
  162   HD23  LEU  22          HD23      LEU  22  80.871   0.498   8.368
  163    H    PHE  23           HN       PHE  23  79.728   2.228   4.802
  164    HA   PHE  23           HA       PHE  23  79.149   4.975   3.846
  165    HB2  PHE  23           HB2      PHE  23  79.225   2.269   2.516
  166    HB3  PHE  23           HB1      PHE  23  78.280   3.577   1.815
  167    HD1  PHE  23           HD2      PHE  23  79.398   5.670   1.065
  168    HD2  PHE  23           HD1      PHE  23  81.632   2.267   2.436
  169    HE1  PHE  23           HE2      PHE  23  81.438   6.571  -0.011
  170    HE2  PHE  23           HE1      PHE  23  83.671   3.177   1.359
  171    HZ   PHE  23           HZ       PHE  23  83.565   5.328   0.130
  172    H    GLU  24           HN       GLU  24  77.364   5.580   5.033
  173    HA   GLU  24           HA       GLU  24  75.022   3.769   4.923
  174    HB2  GLU  24           HB2      GLU  24  74.338   4.474   7.087
  175    HB3  GLU  24           HB1      GLU  24  76.042   4.047   7.211
  176    HG2  GLU  24           HG2      GLU  24  76.591   6.484   6.879
  177    HG3  GLU  24           HG1      GLU  24  74.864   6.825   7.004
  178    H    CYS  25           HN       CYS  25  72.978   4.693   4.722
  179    HA   CYS  25           HA       CYS  25  72.843   7.535   3.917
  180    HB2  CYS  25           HB2      CYS  25  71.712   5.265   2.275
  181    HB3  CYS  25           HB1      CYS  25  71.726   6.975   1.868
  182    HG   CYS  25           HG       CYS  25  73.815   5.387   0.880
  183    H    GLN  26           HN       GLN  26  70.613   8.288   3.705
  184    HA   GLN  26           HA       GLN  26  68.743   6.859   5.525
  185    HB2  GLN  26           HB2      GLN  26  69.096   9.820   4.979
  186    HB3  GLN  26           HB1      GLN  26  67.786   9.134   5.942
  187    HG2  GLN  26           HG2      GLN  26  69.382   8.191   7.522
  188    HG3  GLN  26           HG1      GLN  26  70.734   8.726   6.523
  189   HE21  GLN  26          HE21      GLN  26  69.037   9.568   9.265
  190   HE22  GLN  26          HE22      GLN  26  69.321  11.242   9.258
  191    H    LEU  27           HN       LEU  27  67.347   5.810   4.276
  192    HA   LEU  27           HA       LEU  27  66.344   7.069   1.783
  193    HB2  LEU  27           HB2      LEU  27  67.539   4.827   1.730
  194    HB3  LEU  27           HB1      LEU  27  66.179   4.176   2.636
  195    HG   LEU  27           HG       LEU  27  64.749   5.317   0.691
  196   HD11  LEU  27          HD11      LEU  27  66.611   6.367  -0.465
  197   HD12  LEU  27          HD12      LEU  27  65.964   5.077  -1.478
  198   HD13  LEU  27          HD13      LEU  27  67.455   4.822  -0.581
  199   HD21  LEU  27          HD21      LEU  27  66.299   2.731   0.349
  200   HD22  LEU  27          HD22      LEU  27  64.846   3.172  -0.548
  201   HD23  LEU  27          HD23      LEU  27  64.761   2.912   1.194
  202    H    SER  28           HN       SER  28  64.252   7.620   1.623
  203    HA   SER  28           HA       SER  28  62.437   7.103   3.851
  204    HB2  SER  28           HB2      SER  28  62.549   9.323   2.600
  205    HB3  SER  28           HB1      SER  28  61.828   8.487   1.228
  206    HG   SER  28           HG       SER  28  60.224   9.438   2.506
  207    H    GLN  29           HN       GLN  29  61.926   4.938   3.763
  208    HA   GLN  29           HA       GLN  29  59.963   4.003   2.009
  209    HB2  GLN  29           HB2      GLN  29  62.444   3.976   0.750
  210    HB3  GLN  29           HB1      GLN  29  62.333   2.338   1.359
  211    HG2  GLN  29           HG2      GLN  29  60.312   3.746  -0.402
  212    HG3  GLN  29           HG1      GLN  29  61.378   2.427  -0.873
  213   HE21  GLN  29          HE21      GLN  29  58.463   3.242   0.961
  214   HE22  GLN  29          HE22      GLN  29  57.960   1.639   1.203
  215    HA   PRO  30           HA       PRO  30  60.618   1.594   5.907
  216    HB2  PRO  30           HB2      PRO  30  57.741   1.530   6.266
  217    HB3  PRO  30           HB1      PRO  30  58.945   2.387   7.239
  218    HG2  PRO  30           HG2      PRO  30  57.054   3.559   5.533
  219    HG3  PRO  30           HG1      PRO  30  58.454   4.363   6.257
  220    HD2  PRO  30           HD2      PRO  30  58.074   3.440   3.465
  221    HD3  PRO  30           HD1      PRO  30  59.196   4.658   4.107
  222    H    GLU  31           HN       GLU  31  60.183   0.724   3.014
  223    HA   GLU  31           HA       GLU  31  59.376  -2.024   3.609
  224    HB2  GLU  31           HB2      GLU  31  57.321  -0.835   2.794
  225    HB3  GLU  31           HB1      GLU  31  58.178  -0.443   1.309
  226    HG2  GLU  31           HG2      GLU  31  58.403  -2.790   0.745
  227    HG3  GLU  31           HG1      GLU  31  57.756  -3.273   2.310
  228    H    VAL  32           HN       VAL  32  59.953  -3.410   1.616
  229    HA   VAL  32           HA       VAL  32  62.276  -2.249   0.184
  230    HB   VAL  32           HB       VAL  32  62.054  -4.910   1.596
  231   HG11  VAL  32          HG11      VAL  32  63.148  -5.491  -0.408
  232   HG12  VAL  32          HG12      VAL  32  64.488  -5.108   0.669
  233   HG13  VAL  32          HG13      VAL  32  63.954  -3.927  -0.527
  234   HG21  VAL  32          HG21      VAL  32  62.711  -3.013   3.006
  235   HG22  VAL  32          HG22      VAL  32  63.960  -2.562   1.846
  236   HG23  VAL  32          HG23      VAL  32  64.096  -4.074   2.744
  237    H    ALA  33           HN       ALA  33  61.752  -2.201  -1.891
  238    HA   ALA  33           HA       ALA  33  60.170  -4.431  -3.043
  239    HB1  ALA  33           HB1      ALA  33  59.650  -2.722  -4.856
  240    HB2  ALA  33           HB2      ALA  33  60.348  -1.508  -3.782
  241    HB3  ALA  33           HB3      ALA  33  58.923  -2.416  -3.278
  242    H    ALA  34           HN       ALA  34  62.945  -2.272  -3.521
  243    HA   ALA  34           HA       ALA  34  64.380  -4.286  -4.948
  244    HB1  ALA  34           HB1      ALA  34  63.553  -1.892  -6.595
  245    HB2  ALA  34           HB2      ALA  34  62.762  -3.464  -6.699
  246    HB3  ALA  34           HB3      ALA  34  64.463  -3.304  -7.135
  247    H    HIS  35           HN       HIS  35  66.475  -3.961  -4.592
  248    HA   HIS  35           HA       HIS  35  67.615  -1.277  -4.539
  249    HB2  HIS  35           HB2      HIS  35  67.634  -3.104  -2.128
  250    HB3  HIS  35           HB1      HIS  35  68.732  -1.738  -2.325
  251    HD1  HIS  35           HD1      HIS  35  65.273  -2.594  -1.354
  252    HD2  HIS  35           HD2      HIS  35  67.361   0.842  -2.450
  253    HE1  HIS  35           HE1      HIS  35  63.829  -0.629  -0.669
  254    H    THR  36           HN       THR  36  69.578  -1.336  -5.516
  255    HA   THR  36           HA       THR  36  70.964  -3.976  -5.663
  256    HB   THR  36           HB       THR  36  70.965  -1.760  -7.727
  257    HG1  THR  36           HG1      THR  36  68.966  -2.964  -7.422
  258   HG21  THR  36          HG21      THR  36  72.200  -4.508  -7.568
  259   HG22  THR  36          HG22      THR  36  72.980  -2.977  -7.961
  260   HG23  THR  36          HG23      THR  36  71.884  -3.731  -9.119
  261    H    TRP  37           HN       TRP  37  72.857  -4.008  -4.632
  262    HA   TRP  37           HA       TRP  37  74.307  -1.455  -4.188
  263    HB2  TRP  37           HB2      TRP  37  74.020  -4.001  -2.618
  264    HB3  TRP  37           HB1      TRP  37  75.500  -3.066  -2.432
  265    HD1  TRP  37           HD1      TRP  37  71.789  -2.998  -1.682
  266    HE1  TRP  37           HE1      TRP  37  71.285  -1.024  -0.101
  267    HE3  TRP  37           HE3      TRP  37  76.318  -0.648  -1.741
  268    HZ2  TRP  37           HZ2      TRP  37  72.631   1.252   0.996
  269    HZ3  TRP  37           HZ3      TRP  37  76.683   1.415  -0.419
  270    HH2  TRP  37           HH2      TRP  37  74.845   2.370   0.950
  271    H    LEU  38           HN       LEU  38  75.777  -1.226  -5.803
  272    HA   LEU  38           HA       LEU  38  77.725  -3.417  -6.159
  273    HB2  LEU  38           HB2      LEU  38  76.396  -1.886  -8.403
  274    HB3  LEU  38           HB1      LEU  38  77.841  -2.873  -8.604
  275    HG   LEU  38           HG       LEU  38  75.178  -3.888  -7.558
  276   HD11  LEU  38          HD11      LEU  38  76.491  -4.500 -10.215
  277   HD12  LEU  38          HD12      LEU  38  75.322  -3.191 -10.025
  278   HD13  LEU  38          HD13      LEU  38  74.838  -4.859  -9.716
  279   HD21  LEU  38          HD21      LEU  38  76.452  -6.126  -8.255
  280   HD22  LEU  38          HD22      LEU  38  76.739  -5.396  -6.685
  281   HD23  LEU  38          HD23      LEU  38  77.891  -5.138  -7.993
  282    H    LEU  39           HN       LEU  39  79.496  -2.690  -5.402
  283    HA   LEU  39           HA       LEU  39  80.358   0.092  -5.887
  284    HB2  LEU  39           HB2      LEU  39  82.207  -0.896  -4.142
  285    HB3  LEU  39           HB1      LEU  39  80.712  -0.160  -3.610
  286    HG   LEU  39           HG       LEU  39  79.679  -2.505  -3.644
  287   HD11  LEU  39          HD11      LEU  39  81.331  -4.363  -3.423
  288   HD12  LEU  39          HD12      LEU  39  82.617  -3.247  -3.842
  289   HD13  LEU  39          HD13      LEU  39  81.364  -3.638  -5.025
  290   HD21  LEU  39          HD21      LEU  39  81.995  -2.069  -1.748
  291   HD22  LEU  39          HD22      LEU  39  80.559  -3.045  -1.465
  292   HD23  LEU  39          HD23      LEU  39  80.418  -1.298  -1.589
  293    H    ASP  40           HN       ASP  40  82.844  -2.129  -5.168
  294    HA   ASP  40           HA       ASP  40  84.058  -1.906  -7.696
  295    HB2  ASP  40           HB2      ASP  40  84.391  -4.229  -5.762
  296    HB3  ASP  40           HB1      ASP  40  85.559  -3.650  -6.950
  297    H    ASP  41           HN       ASP  41  84.234  -3.898  -9.162
  298    HA   ASP  41           HA       ASP  41  81.646  -4.593  -9.994
  299    HB2  ASP  41           HB2      ASP  41  84.360  -5.661 -10.751
  300    HB3  ASP  41           HB1      ASP  41  82.874  -6.216 -11.519
  301    H    GLU  42           HN       GLU  42  81.926  -5.456  -7.224
  302    HA   GLU  42           HA       GLU  42  81.353  -8.335  -7.633
  303    HB2  GLU  42           HB2      GLU  42  83.051  -7.120  -5.451
  304    HB3  GLU  42           HB1      GLU  42  82.356  -8.737  -5.331
  305    HG2  GLU  42           HG2      GLU  42  83.506  -9.381  -7.422
  306    HG3  GLU  42           HG1      GLU  42  84.209  -7.766  -7.529
  307    HA   PRO  43           HA       PRO  43  77.575  -7.187  -5.506
  308    HB2  PRO  43           HB2      PRO  43  77.215  -9.825  -4.348
  309    HB3  PRO  43           HB1      PRO  43  76.337  -9.098  -5.700
  310    HG2  PRO  43           HG2      PRO  43  78.329 -11.156  -5.788
  311    HG3  PRO  43           HG1      PRO  43  77.433 -10.444  -7.136
  312    HD2  PRO  43           HD2      PRO  43  80.213 -10.079  -6.506
  313    HD3  PRO  43           HD1      PRO  43  79.287  -9.306  -7.809
  314    H    VAL  44           HN       VAL  44  77.062  -6.510  -3.372
  315    HA   VAL  44           HA       VAL  44  79.270  -6.806  -1.479
  316    HB   VAL  44           HB       VAL  44  76.770  -5.195  -1.011
  317   HG11  VAL  44          HG11      VAL  44  78.606  -5.718   0.770
  318   HG12  VAL  44          HG12      VAL  44  78.096  -4.048   0.566
  319   HG13  VAL  44          HG13      VAL  44  79.604  -4.603  -0.148
  320   HG21  VAL  44          HG21      VAL  44  78.262  -3.288  -1.943
  321   HG22  VAL  44          HG22      VAL  44  77.465  -4.349  -3.103
  322   HG23  VAL  44          HG23      VAL  44  79.167  -4.580  -2.727
  323    H    ARG  45           HN       ARG  45  79.003  -8.920  -0.865
  324    HA   ARG  45           HA       ARG  45  77.224  -9.247   1.391
  325    HB2  ARG  45           HB2      ARG  45  77.032 -10.961  -1.072
  326    HB3  ARG  45           HB1      ARG  45  76.710 -11.655   0.520
  327    HG2  ARG  45           HG2      ARG  45  75.024  -9.908   0.950
  328    HG3  ARG  45           HG1      ARG  45  75.352  -9.202  -0.631
  329    HD2  ARG  45           HD2      ARG  45  73.370 -10.612  -0.696
  330    HD3  ARG  45           HD1      ARG  45  74.645 -11.267  -1.720
  331    HE   ARG  45           HE       ARG  45  74.619 -12.335   0.976
  332   HH11  ARG  45          HH21      ARG  45  75.509 -13.811  -1.531
  333   HH12  ARG  45          HH22      ARG  45  74.230 -14.959  -1.733
  334   HH21  ARG  45          HH11      ARG  45  72.063 -13.320   0.425
  335   HH22  ARG  45          HH12      ARG  45  72.275 -14.679  -0.626
  336    H    THR  46           HN       THR  46  78.835 -11.723  -0.404
  337    HA   THR  46           HA       THR  46  80.604 -13.096   0.159
  338    HB   THR  46           HB       THR  46  82.659 -11.951   0.321
  339    HG1  THR  46           HG1      THR  46  82.829  -9.932   1.282
  340   HG21  THR  46          HG21      THR  46  81.268 -11.332  -1.670
  341   HG22  THR  46          HG22      THR  46  82.448 -10.101  -1.220
  342   HG23  THR  46          HG23      THR  46  80.748  -9.889  -0.799
  343    H    SER  47           HN       SER  47  82.311 -11.647   2.596
  344    HA   SER  47           HA       SER  47  80.755 -13.007   4.729
  345    HB2  SER  47           HB2      SER  47  83.763 -12.944   4.497
  346    HB3  SER  47           HB1      SER  47  82.793 -13.882   5.628
  347    HG   SER  47           HG       SER  47  81.898 -14.482   3.248
  348    H    GLU  48           HN       GLU  48  82.927 -12.338   6.621
  349    HA   GLU  48           HA       GLU  48  81.860  -9.946   7.644
  350    HB2  GLU  48           HB2      GLU  48  83.685 -10.063   9.295
  351    HB3  GLU  48           HB1      GLU  48  82.904 -11.625   9.068
  352    HG2  GLU  48           HG2      GLU  48  84.711 -12.319   7.548
  353    HG3  GLU  48           HG1      GLU  48  85.493 -10.753   7.753
  354    H    ASN  49           HN       ASN  49  84.821 -10.465   5.746
  355    HA   ASN  49           HA       ASN  49  85.895  -7.866   6.094
  356    HB2  ASN  49           HB2      ASN  49  86.264  -9.922   3.912
  357    HB3  ASN  49           HB1      ASN  49  87.177  -8.415   3.993
  358   HD21  ASN  49          HD21      ASN  49  88.411 -11.016   4.222
  359   HD22  ASN  49          HD22      ASN  49  89.049 -11.146   5.790
  360    H    ALA  50           HN       ALA  50  83.014  -8.542   4.846
  361    HA   ALA  50           HA       ALA  50  82.439  -6.085   3.733
  362    HB1  ALA  50           HB1      ALA  50  82.329  -6.956   1.230
  363    HB2  ALA  50           HB2      ALA  50  83.623  -8.028   1.771
  364    HB3  ALA  50           HB3      ALA  50  83.829  -6.279   1.864
  365    H    GLU  51           HN       GLU  51  80.251  -6.009   3.722
  366    HA   GLU  51           HA       GLU  51  78.511  -7.875   2.633
  367    HB2  GLU  51           HB2      GLU  51  79.216  -9.457   4.376
  368    HB3  GLU  51           HB1      GLU  51  78.857  -8.261   5.620
  369    HG2  GLU  51           HG2      GLU  51  76.489  -8.305   5.042
  370    HG3  GLU  51           HG1      GLU  51  76.808  -9.374   3.679
  371    H    VAL  52           HN       VAL  52  76.248  -7.168   2.826
  372    HA   VAL  52           HA       VAL  52  76.096  -4.440   3.833
  373    HB   VAL  52           HB       VAL  52  74.054  -6.153   2.399
  374   HG11  VAL  52          HG11      VAL  52  73.027  -4.303   3.607
  375   HG12  VAL  52          HG12      VAL  52  73.036  -3.928   1.885
  376   HG13  VAL  52          HG13      VAL  52  74.219  -3.180   2.955
  377   HG21  VAL  52          HG21      VAL  52  74.893  -5.379   0.370
  378   HG22  VAL  52          HG22      VAL  52  76.386  -5.468   1.286
  379   HG23  VAL  52          HG23      VAL  52  75.585  -3.919   1.077
  380    H    VAL  53           HN       VAL  53  74.988  -3.787   5.519
  381    HA   VAL  53           HA       VAL  53  73.225  -5.613   7.029
  382    HB   VAL  53           HB       VAL  53  74.273  -4.478   9.126
  383   HG11  VAL  53          HG11      VAL  53  75.779  -6.509   7.452
  384   HG12  VAL  53          HG12      VAL  53  74.583  -6.844   8.704
  385   HG13  VAL  53          HG13      VAL  53  76.149  -6.158   9.141
  386   HG21  VAL  53          HG21      VAL  53  76.497  -3.622   8.901
  387   HG22  VAL  53          HG22      VAL  53  75.560  -2.845   7.623
  388   HG23  VAL  53          HG23      VAL  53  76.623  -4.199   7.239
  389    H    PHE  54           HN       PHE  54  71.390  -4.529   7.842
  390    HA   PHE  54           HA       PHE  54  71.399  -1.606   7.912
  391    HB2  PHE  54           HB2      PHE  54  69.545  -1.330   6.383
  392    HB3  PHE  54           HB1      PHE  54  70.851  -2.174   5.552
  393    HD1  PHE  54           HD2      PHE  54  70.704  -4.607   5.125
  394    HD2  PHE  54           HD1      PHE  54  67.455  -2.412   6.876
  395    HE1  PHE  54           HE2      PHE  54  69.166  -6.484   4.619
  396    HE2  PHE  54           HE1      PHE  54  65.913  -4.288   6.373
  397    HZ   PHE  54           HZ       PHE  54  66.767  -6.325   5.243
  398    H    PHE  55           HN       PHE  55  69.723  -0.678   9.076
  399    HA   PHE  55           HA       PHE  55  67.991  -2.555  10.598
  400    HB2  PHE  55           HB2      PHE  55  69.048   0.055  11.680
  401    HB3  PHE  55           HB1      PHE  55  68.377  -1.315  12.565
  402    HD1  PHE  55           HD1      PHE  55  69.649  -3.620  12.184
  403    HD2  PHE  55           HD2      PHE  55  71.374   0.267  11.566
  404    HE1  PHE  55           HE1      PHE  55  71.918  -4.594  12.388
  405    HE2  PHE  55           HE2      PHE  55  73.639  -0.710  11.774
  406    HZ   PHE  55           HZ       PHE  55  73.913  -3.131  12.179
  407    H    GLU  56           HN       GLU  56  66.314  -1.076  11.845
  408    HA   GLU  56           HA       GLU  56  64.368   0.104  11.673
  409    HB2  GLU  56           HB2      GLU  56  66.199   1.853  10.034
  410    HB3  GLU  56           HB1      GLU  56  64.563   2.320  10.508
  411    HG2  GLU  56           HG2      GLU  56  65.145   2.071  12.870
  412    HG3  GLU  56           HG1      GLU  56  66.762   1.516  12.435
  413    H    ASN  57           HN       ASN  57  65.027  -1.971   9.664
  414    HA   ASN  57           HA       ASN  57  63.976  -2.976   7.897
  415    HB2  ASN  57           HB2      ASN  57  61.990  -0.701   7.987
  416    HB3  ASN  57           HB1      ASN  57  61.760  -2.302   7.294
  417   HD21  ASN  57          HD21      ASN  57  63.062  -3.781   9.456
  418   HD22  ASN  57          HD22      ASN  57  62.045  -3.674  10.810
  419    H    GLY  58           HN       GLY  58  66.119  -1.050   7.391
  420    HA2  GLY  58           HA2      GLY  58  67.112  -0.668   5.271
  421    HA3  GLY  58           HA1      GLY  58  65.515  -0.563   4.552
  422    H    LEU  59           HN       LEU  59  65.161   1.282   7.197
  423    HA   LEU  59           HA       LEU  59  65.193   3.720   5.774
  424    HB2  LEU  59           HB2      LEU  59  63.951   3.064   7.986
  425    HB3  LEU  59           HB1      LEU  59  65.427   3.611   8.771
  426    HG   LEU  59           HG       LEU  59  65.127   5.748   7.250
  427   HD11  LEU  59          HD11      LEU  59  62.319   4.596   7.364
  428   HD12  LEU  59          HD12      LEU  59  63.252   4.956   5.914
  429   HD13  LEU  59          HD13      LEU  59  62.689   6.267   6.946
  430   HD21  LEU  59          HD21      LEU  59  63.469   5.101   9.705
  431   HD22  LEU  59          HD22      LEU  59  63.608   6.725   9.032
  432   HD23  LEU  59          HD23      LEU  59  65.040   5.903   9.650
  433    H    ARG  60           HN       ARG  60  67.622   2.001   7.534
  434    HA   ARG  60           HA       ARG  60  69.592   4.135   6.925
  435    HB2  ARG  60           HB2      ARG  60  68.834   4.050   9.389
  436    HB3  ARG  60           HB1      ARG  60  69.679   2.509   9.468
  437    HG2  ARG  60           HG2      ARG  60  71.384   3.950  10.129
  438    HG3  ARG  60           HG1      ARG  60  71.674   3.893   8.391
  439    HD2  ARG  60           HD2      ARG  60  70.350   5.970   8.112
  440    HD3  ARG  60           HD1      ARG  60  70.074   6.020   9.849
  441    HE   ARG  60           HE       ARG  60  72.852   5.891   9.385
  442   HH11  ARG  60          HH11      ARG  60  70.346   7.994  10.167
  443   HH12  ARG  60          HH12      ARG  60  71.187   9.448   9.744
  444   HH21  ARG  60          HH21      ARG  60  73.854   7.786   8.282
  445   HH22  ARG  60          HH22      ARG  60  73.176   9.330   8.680
  446    H    HIS  61           HN       HIS  61  70.220   2.853   5.119
  447    HA   HIS  61           HA       HIS  61  71.067   0.130   5.479
  448    HB2  HIS  61           HB2      HIS  61  71.230   2.070   3.182
  449    HB3  HIS  61           HB1      HIS  61  71.990   0.481   3.104
  450    HD1  HIS  61           HD1      HIS  61  68.668   2.166   3.019
  451    HD2  HIS  61           HD2      HIS  61  70.148  -1.728   3.155
  452    HE1  HIS  61           HE1      HIS  61  66.723   0.638   2.469
  453    H    LEU  62           HN       LEU  62  72.798  -0.305   6.674
  454    HA   LEU  62           HA       LEU  62  75.214   1.366   6.523
  455    HB2  LEU  62           HB2      LEU  62  74.387  -0.932   8.313
  456    HB3  LEU  62           HB1      LEU  62  76.063  -0.408   8.235
  457    HG   LEU  62           HG       LEU  62  74.612   0.578  10.096
  458   HD11  LEU  62          HD11      LEU  62  75.517   3.034   9.343
  459   HD12  LEU  62          HD12      LEU  62  76.482   2.006   8.287
  460   HD13  LEU  62          HD13      LEU  62  76.536   1.774  10.028
  461   HD21  LEU  62          HD21      LEU  62  73.589   2.347   7.866
  462   HD22  LEU  62          HD22      LEU  62  73.091   2.333   9.560
  463   HD23  LEU  62          HD23      LEU  62  72.689   0.976   8.513
  464    H    LEU  63           HN       LEU  63  77.255   0.509   5.921
  465    HA   LEU  63           HA       LEU  63  77.356  -2.168   4.727
  466    HB2  LEU  63           HB2      LEU  63  76.668  -0.448   2.948
  467    HB3  LEU  63           HB1      LEU  63  78.274   0.236   3.143
  468    HG   LEU  63           HG       LEU  63  77.840  -2.701   2.538
  469   HD11  LEU  63          HD11      LEU  63  78.553  -1.831   0.135
  470   HD12  LEU  63          HD12      LEU  63  77.804  -0.338   0.692
  471   HD13  LEU  63          HD13      LEU  63  76.863  -1.827   0.635
  472   HD21  LEU  63          HD21      LEU  63  80.199  -0.815   2.511
  473   HD22  LEU  63          HD22      LEU  63  80.198  -2.233   1.464
  474   HD23  LEU  63          HD23      LEU  63  80.075  -2.427   3.209
  475    H    LEU  64           HN       LEU  64  79.058  -3.012   5.885
  476    HA   LEU  64           HA       LEU  64  81.382  -1.248   6.418
  477    HB2  LEU  64           HB2      LEU  64  80.030  -2.210   8.324
  478    HB3  LEU  64           HB1      LEU  64  80.577  -3.801   7.824
  479    HG   LEU  64           HG       LEU  64  82.607  -1.625   8.343
  480   HD11  LEU  64          HD11      LEU  64  81.148  -1.637  10.319
  481   HD12  LEU  64          HD12      LEU  64  82.715  -2.347  10.710
  482   HD13  LEU  64          HD13      LEU  64  81.315  -3.387  10.446
  483   HD21  LEU  64          HD21      LEU  64  82.585  -4.657   8.419
  484   HD22  LEU  64          HD22      LEU  64  83.855  -3.732   9.212
  485   HD23  LEU  64          HD23      LEU  64  83.626  -3.592   7.477
  486    H    LEU  65           HN       LEU  65  83.327  -1.742   5.604
  487    HA   LEU  65           HA       LEU  65  83.876  -4.507   4.707
  488    HB2  LEU  65           HB2      LEU  65  85.100  -3.519   2.718
  489    HB3  LEU  65           HB1      LEU  65  83.343  -3.488   2.627
  490    HG   LEU  65           HG       LEU  65  84.674  -1.079   3.830
  491   HD11  LEU  65          HD11      LEU  65  86.100  -1.571   1.871
  492   HD12  LEU  65          HD12      LEU  65  85.144  -0.108   1.630
  493   HD13  LEU  65          HD13      LEU  65  84.663  -1.614   0.849
  494   HD21  LEU  65          HD21      LEU  65  82.365  -1.492   1.905
  495   HD22  LEU  65          HD22      LEU  65  82.876   0.069   2.545
  496   HD23  LEU  65          HD23      LEU  65  82.237  -1.162   3.633
  497    H    LYS  66           HN       LYS  66  85.755  -5.221   5.609
  498    HA   LYS  66           HA       LYS  66  87.584  -3.241   6.764
  499    HB2  LYS  66           HB2      LYS  66  87.371  -6.235   7.184
  500    HB3  LYS  66           HB1      LYS  66  88.401  -5.129   8.088
  501    HG2  LYS  66           HG2      LYS  66  86.406  -3.909   8.880
  502    HG3  LYS  66           HG1      LYS  66  85.376  -5.050   8.006
  503    HD2  LYS  66           HD2      LYS  66  86.372  -6.915   9.320
  504    HD3  LYS  66           HD1      LYS  66  87.315  -5.738  10.234
  505    HE2  LYS  66           HE2      LYS  66  85.209  -4.648  10.963
  506    HE3  LYS  66           HE1      LYS  66  84.292  -5.884  10.096
  507    HZ1  LYS  66           HZ1      LYS  66  84.589  -6.353  12.491
  508    HZ2  LYS  66           HZ2      LYS  66  86.265  -6.469  12.235
  509    HZ3  LYS  66           HZ3      LYS  66  85.209  -7.569  11.484
  510    H    ASN  67           HN       ASN  67  89.757  -5.010   6.994
  511    HA   ASN  67           HA       ASN  67  91.793  -5.277   5.879
  512    HB2  ASN  67           HB2      ASN  67  89.803  -6.854   4.244
  513    HB3  ASN  67           HB1      ASN  67  91.546  -6.962   4.006
  514   HD21  ASN  67          HD21      ASN  67  90.055  -9.243   4.862
  515   HD22  ASN  67          HD22      ASN  67  90.496  -9.602   6.463
  516    H    LEU  68           HN       LEU  68  90.860  -2.798   5.273
  517    HA   LEU  68           HA       LEU  68  90.459  -2.237   2.556
  518    HB2  LEU  68           HB2      LEU  68  91.713  -0.523   4.700
  519    HB3  LEU  68           HB1      LEU  68  91.241   0.064   3.108
  520    HG   LEU  68           HG       LEU  68  89.357  -1.225   5.104
  521   HD11  LEU  68          HD11      LEU  68  89.482   1.681   4.263
  522   HD12  LEU  68          HD12      LEU  68  90.321   1.072   5.689
  523   HD13  LEU  68          HD13      LEU  68  88.567   0.974   5.589
  524   HD21  LEU  68          HD21      LEU  68  88.304  -1.582   3.049
  525   HD22  LEU  68          HD22      LEU  68  89.060  -0.180   2.291
  526   HD23  LEU  68          HD23      LEU  68  87.715   0.036   3.410
  527    H    ARG  69           HN       ARG  69  91.753  -1.685   0.887
  528    HA   ARG  69           HA       ARG  69  94.667  -1.813   1.216
  529    HB2  ARG  69           HB2      ARG  69  93.653  -3.226  -1.202
  530    HB3  ARG  69           HB1      ARG  69  94.996  -3.643  -0.140
  531    HG2  ARG  69           HG2      ARG  69  93.318  -4.407   1.570
  532    HG3  ARG  69           HG1      ARG  69  92.048  -4.118   0.379
  533    HD2  ARG  69           HD2      ARG  69  94.339  -6.083   0.184
  534    HD3  ARG  69           HD1      ARG  69  92.619  -6.448   0.256
  535    HE   ARG  69           HE       ARG  69  93.265  -4.795  -1.998
  536   HH11  ARG  69          HH11      ARG  69  94.778  -7.640  -1.367
  537   HH12  ARG  69          HH12      ARG  69  94.054  -8.567  -2.638
  538   HH21  ARG  69          HH21      ARG  69  91.696  -6.143  -3.411
  539   HH22  ARG  69          HH22      ARG  69  92.308  -7.714  -3.802
  540    HA   PRO  70           HA       PRO  70  94.509   1.705  -1.469
  541    HB2  PRO  70           HB2      PRO  70  96.588   0.860  -3.298
  542    HB3  PRO  70           HB1      PRO  70  96.726   2.010  -1.961
  543    HG2  PRO  70           HG2      PRO  70  97.611  -0.765  -2.093
  544    HG3  PRO  70           HG1      PRO  70  98.025   0.483  -0.911
  545    HD2  PRO  70           HD2      PRO  70  96.380  -1.726  -0.405
  546    HD3  PRO  70           HD1      PRO  70  96.429  -0.247   0.576
  547    H    GLN  71           HN       GLN  71  94.999  -1.437  -2.960
  548    HA   GLN  71           HA       GLN  71  93.972  -0.988  -5.503
  549    HB2  GLN  71           HB2      GLN  71  95.120  -3.051  -4.904
  550    HB3  GLN  71           HB1      GLN  71  93.812  -3.486  -3.803
  551    HG2  GLN  71           HG2      GLN  71  92.250  -3.712  -5.624
  552    HG3  GLN  71           HG1      GLN  71  93.404  -3.030  -6.771
  553   HE21  GLN  71          HE21      GLN  71  92.317  -5.603  -7.253
  554   HE22  GLN  71          HE22      GLN  71  93.541  -6.762  -7.051
  555    H    ASP  72           HN       ASP  72  92.182  -2.250  -2.634
  556    HA   ASP  72           HA       ASP  72  89.720  -2.510  -3.769
  557    HB2  ASP  72           HB2      ASP  72  90.297  -3.239  -1.502
  558    HB3  ASP  72           HB1      ASP  72  90.342  -1.559  -0.971
  559    H    SER  73           HN       SER  73  91.100   0.621  -2.507
  560    HA   SER  73           HA       SER  73  88.796   2.083  -2.468
  561    HB2  SER  73           HB2      SER  73  90.136   3.988  -2.598
  562    HB3  SER  73           HB1      SER  73  91.273   2.772  -2.023
  563    HG   SER  73           HG       SER  73  91.187   4.138  -4.392
  564    H    CYS  74           HN       CYS  74  87.372   2.838  -3.888
  565    HA   CYS  74           HA       CYS  74  87.961   3.323  -6.635
  566    HB2  CYS  74           HB2      CYS  74  87.859   0.751  -6.409
  567    HB3  CYS  74           HB1      CYS  74  86.121   0.976  -6.220
  568    HG   CYS  74           HG       CYS  74  86.535   0.732  -8.769
  569    H    ARG  75           HN       ARG  75  85.140   2.287  -7.222
  570    HA   ARG  75           HA       ARG  75  83.716   4.716  -6.332
  571    HB2  ARG  75           HB2      ARG  75  83.899   4.453  -8.735
  572    HB3  ARG  75           HB1      ARG  75  83.261   2.814  -8.641
  573    HG2  ARG  75           HG2      ARG  75  81.103   3.703  -7.796
  574    HG3  ARG  75           HG1      ARG  75  81.752   5.342  -7.899
  575    HD2  ARG  75           HD2      ARG  75  82.158   4.949 -10.337
  576    HD3  ARG  75           HD1      ARG  75  81.351   3.392 -10.175
  577    HE   ARG  75           HE       ARG  75  79.749   5.604  -9.237
  578   HH11  ARG  75          HH21      ARG  75  81.025   4.369 -12.165
  579   HH12  ARG  75          HH22      ARG  75  79.534   4.461 -13.039
  580   HH21  ARG  75          HH11      ARG  75  77.677   5.458 -10.286
  581   HH22  ARG  75          HH12      ARG  75  77.638   5.079 -11.976
  582    H    VAL  76           HN       VAL  76  81.865   4.621  -5.205
  583    HA   VAL  76           HA       VAL  76  80.730   1.955  -4.552
  584    HB   VAL  76           HB       VAL  76  80.643   4.444  -2.829
  585   HG11  VAL  76          HG11      VAL  76  80.100   1.555  -2.107
  586   HG12  VAL  76          HG12      VAL  76  78.831   2.680  -2.591
  587   HG13  VAL  76          HG13      VAL  76  79.772   2.987  -1.131
  588   HG21  VAL  76          HG21      VAL  76  82.437   2.005  -2.656
  589   HG22  VAL  76          HG22      VAL  76  82.307   3.246  -1.410
  590   HG23  VAL  76          HG23      VAL  76  82.953   3.656  -2.998
  591    H    THR  77           HN       THR  77  78.740   1.679  -5.423
  592    HA   THR  77           HA       THR  77  77.056   4.088  -5.884
  593    HB   THR  77           HB       THR  77  77.357   1.718  -7.738
  594    HG1  THR  77           HG1      THR  77  78.340   4.363  -7.740
  595   HG21  THR  77          HG21      THR  77  75.121   2.558  -7.860
  596   HG22  THR  77          HG22      THR  77  75.991   3.239  -9.235
  597   HG23  THR  77          HG23      THR  77  75.679   4.230  -7.810
  598    H    PHE  78           HN       PHE  78  75.083   3.999  -5.133
  599    HA   PHE  78           HA       PHE  78  73.834   1.382  -4.489
  600    HB2  PHE  78           HB2      PHE  78  74.454   2.372  -2.396
  601    HB3  PHE  78           HB1      PHE  78  73.885   3.960  -2.904
  602    HD1  PHE  78           HD1      PHE  78  72.521   0.459  -2.724
  603    HD2  PHE  78           HD2      PHE  78  71.854   4.636  -1.966
  604    HE1  PHE  78           HE1      PHE  78  70.296  -0.069  -1.762
  605    HE2  PHE  78           HE2      PHE  78  69.638   4.110  -1.010
  606    HZ   PHE  78           HZ       PHE  78  68.854   1.759  -0.903
  607    H    LEU  79           HN       LEU  79  72.180   1.112  -5.883
  608    HA   LEU  79           HA       LEU  79  70.749   3.507  -6.870
  609    HB2  LEU  79           HB2      LEU  79  71.837   2.298  -8.623
  610    HB3  LEU  79           HB1      LEU  79  71.177   0.765  -8.060
  611    HG   LEU  79           HG       LEU  79  68.939   1.410  -8.697
  612   HD11  LEU  79          HD11      LEU  79  68.696   3.711  -9.870
  613   HD12  LEU  79          HD12      LEU  79  70.201   4.128  -9.051
  614   HD13  LEU  79          HD13      LEU  79  68.777   3.682  -8.110
  615   HD21  LEU  79          HD21      LEU  79  70.303   0.570 -10.524
  616   HD22  LEU  79          HD22      LEU  79  70.977   2.174 -10.804
  617   HD23  LEU  79          HD23      LEU  79  69.274   1.864 -11.137
  618    H    ALA  80           HN       ALA  80  69.155   3.776  -5.367
  619    HA   ALA  80           HA       ALA  80  67.283   1.564  -4.831
  620    HB1  ALA  80           HB1      ALA  80  68.185   3.112  -2.997
  621    HB2  ALA  80           HB2      ALA  80  66.436   2.897  -3.054
  622    HB3  ALA  80           HB3      ALA  80  67.166   4.364  -3.703
  623    H    GLY  81           HN       GLY  81  66.423   1.548  -7.024
  624    HA2  GLY  81           HA2      GLY  81  64.962   2.188  -8.700
  625    HA3  GLY  81           HA1      GLY  81  63.998   2.816  -7.365
  626    H    ASP  82           HN       ASP  82  63.259   4.648  -8.463
  627    HA   ASP  82           HA       ASP  82  64.439   6.390 -10.116
  628    HB2  ASP  82           HB2      ASP  82  62.522   6.923  -7.838
  629    HB3  ASP  82           HB1      ASP  82  62.926   8.132  -9.058
  630    H    MET  83           HN       MET  83  65.982   5.765  -7.289
  631    HA   MET  83           HA       MET  83  67.191   8.470  -7.182
  632    HB2  MET  83           HB2      MET  83  66.806   6.542  -4.877
  633    HB3  MET  83           HB1      MET  83  67.612   8.108  -4.795
  634    HG2  MET  83           HG2      MET  83  65.503   8.806  -4.154
  635    HG3  MET  83           HG1      MET  83  65.257   8.901  -5.895
  636    HE1  MET  83           HE1      MET  83  63.708   7.234  -2.601
  637    HE2  MET  83           HE2      MET  83  65.395   6.821  -2.889
  638    HE3  MET  83           HE3      MET  83  64.159   5.571  -3.006
  639    H    VAL  84           HN       VAL  84  69.290   8.530  -7.608
  640    HA   VAL  84           HA       VAL  84  70.913   6.054  -7.345
  641    HB   VAL  84           HB       VAL  84  70.433   6.357  -9.706
  642   HG11  VAL  84          HG11      VAL  84  70.805   8.401 -10.879
  643   HG12  VAL  84          HG12      VAL  84  71.631   9.124  -9.500
  644   HG13  VAL  84          HG13      VAL  84  69.893   8.832  -9.433
  645   HG21  VAL  84          HG21      VAL  84  72.769   5.738  -8.990
  646   HG22  VAL  84          HG22      VAL  84  73.216   7.435  -9.154
  647   HG23  VAL  84          HG23      VAL  84  72.687   6.524 -10.567
  648    H    THR  85           HN       THR  85  72.801   6.313  -6.294
  649    HA   THR  85           HA       THR  85  73.896   9.043  -5.933
  650    HB   THR  85           HB       THR  85  73.886   8.909  -3.602
  651    HG1  THR  85           HG1      THR  85  74.341   7.104  -2.603
  652   HG21  THR  85          HG21      THR  85  71.675   8.123  -2.909
  653   HG22  THR  85          HG22      THR  85  71.550   7.096  -4.326
  654   HG23  THR  85          HG23      THR  85  71.534   8.850  -4.506
  655    H    SER  86           HN       SER  86  76.155   9.119  -5.565
  656    HA   SER  86           HA       SER  86  77.692   6.644  -5.495
  657    HB2  SER  86           HB2      SER  86  77.360   6.766  -7.865
  658    HB3  SER  86           HB1      SER  86  77.727   8.489  -7.891
  659    HG   SER  86           HG       SER  86  79.556   6.537  -6.964
  660    H    ALA  87           HN       ALA  87  79.596   6.918  -4.444
  661    HA   ALA  87           HA       ALA  87  80.725   9.647  -4.203
  662    HB1  ALA  87           HB1      ALA  87  80.415   7.761  -1.859
  663    HB2  ALA  87           HB2      ALA  87  79.282   9.068  -2.209
  664    HB3  ALA  87           HB3      ALA  87  80.965   9.437  -1.831
  665    H    PHE  88           HN       PHE  88  82.961   9.721  -3.799
  666    HA   PHE  88           HA       PHE  88  84.422   7.499  -4.879
  667    HB2  PHE  88           HB2      PHE  88  85.426  10.107  -3.713
  668    HB3  PHE  88           HB1      PHE  88  86.378   8.962  -4.661
  669    HD1  PHE  88           HD2      PHE  88  85.961   8.657  -7.067
  670    HD2  PHE  88           HD1      PHE  88  83.722  11.499  -4.754
  671    HE1  PHE  88           HE2      PHE  88  85.150   9.715  -9.156
  672    HE2  PHE  88           HE1      PHE  88  82.912  12.558  -6.845
  673    HZ   PHE  88           HZ       PHE  88  83.624  11.665  -9.045
  674    H    LEU  89           HN       LEU  89  86.320   6.610  -3.910
  675    HA   LEU  89           HA       LEU  89  86.286   6.412  -0.955
  676    HB2  LEU  89           HB2      LEU  89  85.217   4.398  -1.817
  677    HB3  LEU  89           HB1      LEU  89  86.532   4.146  -2.960
  678    HG   LEU  89           HG       LEU  89  88.107   3.811  -1.090
  679   HD11  LEU  89          HD11      LEU  89  86.966   3.490   1.228
  680   HD12  LEU  89          HD12      LEU  89  85.674   4.479   0.555
  681   HD13  LEU  89          HD13      LEU  89  87.302   5.131   0.686
  682   HD21  LEU  89          HD21      LEU  89  87.429   1.621  -0.582
  683   HD22  LEU  89          HD22      LEU  89  86.506   1.955  -2.048
  684   HD23  LEU  89          HD23      LEU  89  85.726   2.066  -0.470
  685    H    THR  90           HN       THR  90  88.344   6.411  -0.034
  686    HA   THR  90           HA       THR  90  90.670   6.256  -1.842
  687    HB   THR  90           HB       THR  90  90.330   8.523   0.124
  688    HG1  THR  90           HG1      THR  90  89.181   8.171  -2.235
  689   HG21  THR  90          HG21      THR  90  92.210   9.468  -1.228
  690   HG22  THR  90          HG22      THR  90  92.278   7.951  -2.122
  691   HG23  THR  90          HG23      THR  90  92.642   7.973  -0.398
  692    H    VAL  91           HN       VAL  91  92.236   5.074  -1.014
  693    HA   VAL  91           HA       VAL  91  92.535   4.871   1.925
  694    HB   VAL  91           HB       VAL  91  92.586   2.560  -0.039
  695   HG11  VAL  91          HG11      VAL  91  92.930   1.152   1.926
  696   HG12  VAL  91          HG12      VAL  91  92.912   2.566   2.979
  697   HG13  VAL  91          HG13      VAL  91  94.228   2.336   1.830
  698   HG21  VAL  91          HG21      VAL  91  90.636   1.795   1.371
  699   HG22  VAL  91          HG22      VAL  91  90.311   3.236   0.407
  700   HG23  VAL  91          HG23      VAL  91  90.642   3.383   2.134
  701    H    ARG  92           HN       ARG  92  94.564   5.551   2.429
  702    HA   ARG  92           HA       ARG  92  96.594   5.601   0.350
  703    HB2  ARG  92           HB2      ARG  92  96.600   6.623   3.189
  704    HB3  ARG  92           HB1      ARG  92  97.953   6.798   2.071
  705    HG2  ARG  92           HG2      ARG  92  96.547   8.052   0.512
  706    HG3  ARG  92           HG1      ARG  92  95.145   7.820   1.557
  707    HD2  ARG  92           HD2      ARG  92  96.049  10.037   1.962
  708    HD3  ARG  92           HD1      ARG  92  96.361   9.037   3.376
  709    HE   ARG  92           HE       ARG  92  98.566   8.933   1.569
  710   HH11  ARG  92          HH11      ARG  92  97.299  11.825   2.459
  711   HH12  ARG  92          HH12      ARG  92  98.581  12.314   3.515
  712   HH21  ARG  92          HH21      ARG  92 100.091   9.198   3.574
  713   HH22  ARG  92          HH22      ARG  92 100.165  10.835   4.137
  714    H    GLY  93           HN       GLY  93  98.198   4.257   0.078
  715    HA2  GLY  93           HA2      GLY  93  98.463   1.921   1.737
  716    HA3  GLY  93           HA1      GLY  93  99.436   2.322   0.326
  717    H    GLY  94           HN       GLY  94 100.640   1.256   2.567
  718    HA2  GLY  94           HA2      GLY  94 101.745   3.406   4.193
  719    HA3  GLY  94           HA1      GLY  94 102.107   1.690   4.336
  720    H    LEU  95           HN       LEU  95 103.398   0.759   2.475
  721    HA   LEU  95           HA       LEU  95 105.710   2.472   2.017
  722    HB2  LEU  95           HB2      LEU  95 105.117  -0.448   1.565
  723    HB3  LEU  95           HB1      LEU  95 106.555   0.296   0.878
  724    HG   LEU  95           HG       LEU  95 106.865  -0.829   3.145
  725   HD11  LEU  95          HD11      LEU  95 108.279   1.136   2.137
  726   HD12  LEU  95          HD12      LEU  95 108.488   0.702   3.829
  727   HD13  LEU  95          HD13      LEU  95 107.514   2.104   3.395
  728   HD21  LEU  95          HD21      LEU  95 106.045   0.275   5.120
  729   HD22  LEU  95          HD22      LEU  95 104.665   0.024   4.053
  730   HD23  LEU  95          HD23      LEU  95 105.408   1.619   4.178
  731    H    GLU  96           HN       GLU  96 106.696   2.580  -0.169
  732    HA   GLU  96           HA       GLU  96 104.698   3.388  -2.091
  733    HB2  GLU  96           HB2      GLU  96 107.719   3.270  -2.239
  734    HB3  GLU  96           HB1      GLU  96 106.686   3.939  -3.503
  735    HG2  GLU  96           HG2      GLU  96 105.789   5.592  -1.925
  736    HG3  GLU  96           HG1      GLU  96 106.768   4.905  -0.630
  737    H    HIS  97           HN       HIS  97 106.417   0.521  -1.385
  738    HA   HIS  97           HA       HIS  97 106.086  -0.595  -4.084
  739    HB2  HIS  97           HB2      HIS  97 108.196  -1.096  -3.013
  740    HB3  HIS  97           HB1      HIS  97 107.378  -1.693  -1.572
  741    HD1  HIS  97           HD1      HIS  97 107.824  -2.526  -5.247
  742    HD2  HIS  97           HD2      HIS  97 106.558  -4.366  -1.725
  743    HE1  HIS  97           HE1      HIS  97 107.510  -4.981  -5.792
  744    H    HIS  98           HN       HIS  98 104.389  -1.823  -4.625
  745    HA   HIS  98           HA       HIS  98 102.385  -2.467  -2.602
  746    HB2  HIS  98           HB2      HIS  98 102.435  -2.687  -5.615
  747    HB3  HIS  98           HB1      HIS  98 101.090  -3.262  -4.628
  748    HD1  HIS  98           HD1      HIS  98 100.156  -1.319  -2.870
  749    HD2  HIS  98           HD2      HIS  98 102.181  -0.014  -6.271
  750    HE1  HIS  98           HE1      HIS  98  99.548   1.118  -3.173
  751    H    HIS  99           HN       HIS  99 102.132  -4.371  -1.685
  752    HA   HIS  99           HA       HIS  99 103.222  -6.806  -2.973
  753    HB2  HIS  99           HB2      HIS  99 104.768  -5.924  -1.184
  754    HB3  HIS  99           HB1      HIS  99 103.465  -6.175  -0.023
  755    HD1  HIS  99           HD1      HIS  99 102.628  -8.688   0.280
  756    HD2  HIS  99           HD2      HIS  99 106.172  -8.250  -1.868
  757    HE1  HIS  99           HE1      HIS  99 103.714 -10.974   0.217
  758    H    HIS 100           HN       HIS 100 101.469  -8.020  -3.370
  759    HA   HIS 100           HA       HIS 100  99.375  -8.238  -1.269
  760    HB2  HIS 100           HB2      HIS 100  99.075  -8.362  -4.279
  761    HB3  HIS 100           HB1      HIS 100  97.789  -8.705  -3.121
  762    HD1  HIS 100           HD1      HIS 100  97.239  -6.649  -1.413
  763    HD2  HIS 100           HD2      HIS 100  99.330  -5.667  -4.884
  764    HE1  HIS 100           HE1      HIS 100  97.024  -4.138  -1.696
  765    H    HIS 101           HN       HIS 101  98.628 -10.263  -0.768
  766    HA   HIS 101           HA       HIS 101 100.394 -12.447  -1.244
  767    HB2  HIS 101           HB2      HIS 101  97.607 -12.408  -0.063
  768    HB3  HIS 101           HB1      HIS 101  98.725 -13.770   0.005
  769    HD1  HIS 101           HD1      HIS 101 101.333 -12.527   0.763
  770    HD2  HIS 101           HD2      HIS 101  97.736 -11.253   2.439
  771    HE1  HIS 101           HE1      HIS 101 101.924 -11.403   2.954
  772    H    HIS 102           HN       HIS 102  99.399 -14.631  -1.920
  773    HA   HIS 102           HA       HIS 102  98.445 -14.326  -4.643
  774    HB2  HIS 102           HB2      HIS 102  98.675 -16.825  -4.668
  775    HB3  HIS 102           HB1      HIS 102 100.161 -15.972  -4.247
  776    HD1  HIS 102           HD1      HIS 102 100.947 -16.092  -1.759
  777    HD2  HIS 102           HD2      HIS 102  97.520 -18.327  -2.556
  778    HE1  HIS 102           HE1      HIS 102 100.595 -17.603   0.245
  Start of MODEL   17
    1    H1   THR   1           HT1      THR   1  54.530   0.058  -4.478
    2    H2   THR   1           HT2      THR   1  56.050  -0.679  -4.660
    3    H3   THR   1           HT3      THR   1  55.415   0.283  -5.907
    4    HA   THR   1           HA       THR   1  56.664   1.078  -3.387
    5    HB   THR   1           HB       THR   1  56.604   2.594  -5.998
    6    HG1  THR   1           HG1      THR   1  57.971   0.205  -5.389
    7   HG21  THR   1          HG21      THR   1  58.739   3.379  -5.289
    8   HG22  THR   1          HG22      THR   1  58.890   2.106  -4.079
    9   HG23  THR   1          HG23      THR   1  57.730   3.413  -3.845
   10    H    ALA   2           HN       ALA   2  56.158   3.064  -2.393
   11    HA   ALA   2           HA       ALA   2  53.656   4.399  -3.246
   12    HB1  ALA   2           HB1      ALA   2  53.031   4.540  -0.802
   13    HB2  ALA   2           HB2      ALA   2  54.306   3.363  -0.478
   14    HB3  ALA   2           HB3      ALA   2  52.936   2.922  -1.499
   15    H    LYS   3           HN       LYS   3  56.790   4.523  -1.722
   16    HA   LYS   3           HA       LYS   3  56.998   7.332  -2.223
   17    HB2  LYS   3           HB2      LYS   3  55.655   7.519  -0.211
   18    HB3  LYS   3           HB1      LYS   3  56.718   6.408   0.647
   19    HG2  LYS   3           HG2      LYS   3  57.187   8.747   1.275
   20    HG3  LYS   3           HG1      LYS   3  58.577   8.039   0.465
   21    HD2  LYS   3           HD2      LYS   3  58.131   9.209  -1.558
   22    HD3  LYS   3           HD1      LYS   3  56.491   9.620  -1.054
   23    HE2  LYS   3           HE2      LYS   3  57.480  11.011   0.786
   24    HE3  LYS   3           HE1      LYS   3  59.078  10.679   0.118
   25    HZ1  LYS   3           HZ1      LYS   3  58.270  11.617  -2.011
   26    HZ2  LYS   3           HZ2      LYS   3  58.315  12.751  -0.746
   27    HZ3  LYS   3           HZ3      LYS   3  56.835  12.075  -1.232
   28    H    ASN   4           HN       ASN   4  59.055   7.583  -2.820
   29    HA   ASN   4           HA       ASN   4  61.209   6.337  -1.261
   30    HB2  ASN   4           HB2      ASN   4  62.340   5.731  -3.439
   31    HB3  ASN   4           HB1      ASN   4  60.971   4.723  -2.984
   32   HD21  ASN   4          HD21      ASN   4  61.214   4.429  -5.551
   33   HD22  ASN   4          HD22      ASN   4  60.242   5.470  -6.478
   34    H    THR   5           HN       THR   5  62.321   8.123  -0.570
   35    HA   THR   5           HA       THR   5  63.252   9.999  -2.637
   36    HB   THR   5           HB       THR   5  61.918  10.999  -0.116
   37    HG1  THR   5           HG1      THR   5  60.583  11.658  -2.285
   38   HG21  THR   5          HG21      THR   5  62.135  13.154  -1.114
   39   HG22  THR   5          HG22      THR   5  62.571  12.464  -2.678
   40   HG23  THR   5          HG23      THR   5  63.703  12.374  -1.330
   41    H    VAL   6           HN       VAL   6  65.374   9.847  -2.386
   42    HA   VAL   6           HA       VAL   6  66.748   8.989  -0.113
   43    HB   VAL   6           HB       VAL   6  67.743  10.882  -2.266
   44   HG11  VAL   6          HG11      VAL   6  69.277  10.871  -0.394
   45   HG12  VAL   6          HG12      VAL   6  69.968   9.870  -1.669
   46   HG13  VAL   6          HG13      VAL   6  69.192   9.113  -0.278
   47   HG21  VAL   6          HG21      VAL   6  68.687   8.708  -3.196
   48   HG22  VAL   6          HG22      VAL   6  66.943   8.912  -3.331
   49   HG23  VAL   6          HG23      VAL   6  67.614   7.871  -2.072
   50    H    VAL   7           HN       VAL   7  67.243   9.886   1.759
   51    HA   VAL   7           HA       VAL   7  66.637  12.708   2.256
   52    HB   VAL   7           HB       VAL   7  67.626  10.537   4.133
   53   HG11  VAL   7          HG11      VAL   7  66.877  12.079   5.898
   54   HG12  VAL   7          HG12      VAL   7  66.408  13.262   4.677
   55   HG13  VAL   7          HG13      VAL   7  68.108  12.842   4.892
   56   HG21  VAL   7          HG21      VAL   7  64.818  11.642   3.951
   57   HG22  VAL   7          HG22      VAL   7  65.364  10.176   4.761
   58   HG23  VAL   7          HG23      VAL   7  65.313  10.241   2.998
   59    H    ARG   8           HN       ARG   8  69.208  10.514   1.708
   60    HA   ARG   8           HA       ARG   8  71.152  12.551   1.333
   61    HB2  ARG   8           HB2      ARG   8  71.568  12.642   3.642
   62    HB3  ARG   8           HB1      ARG   8  71.221  10.929   3.870
   63    HG2  ARG   8           HG2      ARG   8  73.308  10.276   2.891
   64    HG3  ARG   8           HG1      ARG   8  73.613  11.894   2.264
   65    HD2  ARG   8           HD2      ARG   8  73.399  11.204   5.212
   66    HD3  ARG   8           HD1      ARG   8  74.926  11.305   4.339
   67    HE   ARG   8           HE       ARG   8  74.186  13.710   3.831
   68   HH11  ARG   8          HH11      ARG   8  73.801  11.973   6.781
   69   HH12  ARG   8          HH12      ARG   8  73.389  13.368   7.719
   70   HH21  ARG   8          HH21      ARG   8  73.435  15.530   5.013
   71   HH22  ARG   8          HH22      ARG   8  73.183  15.380   6.719
   72    H    GLY   9           HN       GLY   9  72.727  11.827   0.039
   73    HA2  GLY   9           HA2      GLY   9  72.606   9.040  -0.843
   74    HA3  GLY   9           HA1      GLY   9  73.400  10.368  -1.686
   75    H    LEU  10           HN       LEU  10  75.052   8.446  -1.611
   76    HA   LEU  10           HA       LEU  10  76.460   7.981   0.807
   77    HB2  LEU  10           HB2      LEU  10  77.298   7.689  -2.090
   78    HB3  LEU  10           HB1      LEU  10  78.219   7.060  -0.721
   79    HG   LEU  10           HG       LEU  10  75.295   6.344  -0.970
   80   HD11  LEU  10          HD11      LEU  10  75.950   4.333  -2.291
   81   HD12  LEU  10          HD12      LEU  10  77.577   4.998  -2.456
   82   HD13  LEU  10          HD13      LEU  10  76.206   5.830  -3.187
   83   HD21  LEU  10          HD21      LEU  10  77.711   4.788  -0.002
   84   HD22  LEU  10          HD22      LEU  10  76.021   4.322   0.182
   85   HD23  LEU  10          HD23      LEU  10  76.645   5.724   1.045
   86    H    GLU  11           HN       GLU  11  78.835   8.653   1.085
   87    HA   GLU  11           HA       GLU  11  79.370  11.356   0.023
   88    HB2  GLU  11           HB2      GLU  11  79.409  10.557   2.946
   89    HB3  GLU  11           HB1      GLU  11  80.118  12.042   2.315
   90    HG2  GLU  11           HG2      GLU  11  77.208  11.266   1.959
   91    HG3  GLU  11           HG1      GLU  11  77.796  12.346   3.223
   92    H    ASN  12           HN       ASN  12  81.652  12.002   0.498
   93    HA   ASN  12           HA       ASN  12  83.450  10.037  -0.406
   94    HB2  ASN  12           HB2      ASN  12  85.194  11.657   0.047
   95    HB3  ASN  12           HB1      ASN  12  83.800  12.483  -0.644
   96   HD21  ASN  12          HD21      ASN  12  85.455  14.139   0.741
   97   HD22  ASN  12          HD22      ASN  12  84.822  14.519   2.270
   98    H    VAL  13           HN       VAL  13  85.001   8.797   0.642
   99    HA   VAL  13           HA       VAL  13  84.928   8.741   3.607
  100    HB   VAL  13           HB       VAL  13  84.626   6.363   1.754
  101   HG11  VAL  13          HG11      VAL  13  86.177   5.564   3.351
  102   HG12  VAL  13          HG12      VAL  13  84.618   5.116   4.048
  103   HG13  VAL  13          HG13      VAL  13  85.478   6.533   4.648
  104   HG21  VAL  13          HG21      VAL  13  82.569   7.611   2.414
  105   HG22  VAL  13          HG22      VAL  13  82.990   7.363   4.110
  106   HG23  VAL  13          HG23      VAL  13  82.598   5.980   3.088
  107    H    GLU  14           HN       GLU  14  86.886   8.666   4.526
  108    HA   GLU  14           HA       GLU  14  89.228   7.901   2.865
  109    HB2  GLU  14           HB2      GLU  14  89.006  10.384   3.096
  110    HB3  GLU  14           HB1      GLU  14  89.141  10.195   4.841
  111    HG2  GLU  14           HG2      GLU  14  91.234   9.065   2.975
  112    HG3  GLU  14           HG1      GLU  14  91.308  10.734   3.529
  113    H    ALA  15           HN       ALA  15  90.632   6.537   3.806
  114    HA   ALA  15           HA       ALA  15  90.874   6.356   6.686
  115    HB1  ALA  15           HB1      ALA  15  90.081   4.142   6.965
  116    HB2  ALA  15           HB2      ALA  15  89.962   3.881   5.224
  117    HB3  ALA  15           HB3      ALA  15  88.831   4.964   6.034
  118    H    LEU  16           HN       LEU  16  92.763   5.344   7.328
  119    HA   LEU  16           HA       LEU  16  94.806   5.065   5.318
  120    HB2  LEU  16           HB2      LEU  16  94.748   4.658   8.313
  121    HB3  LEU  16           HB1      LEU  16  96.179   4.305   7.348
  122    HG   LEU  16           HG       LEU  16  96.128   6.643   6.474
  123   HD11  LEU  16          HD11      LEU  16  93.879   7.330   6.655
  124   HD12  LEU  16          HD12      LEU  16  94.676   8.230   7.943
  125   HD13  LEU  16          HD13      LEU  16  93.746   6.779   8.326
  126   HD21  LEU  16          HD21      LEU  16  97.519   6.052   8.432
  127   HD22  LEU  16          HD22      LEU  16  96.162   6.402   9.500
  128   HD23  LEU  16          HD23      LEU  16  96.904   7.701   8.566
  129    H    GLU  17           HN       GLU  17  96.084   3.099   4.993
  130    HA   GLU  17           HA       GLU  17  94.651   0.879   4.270
  131    HB2  GLU  17           HB2      GLU  17  96.924   1.077   3.580
  132    HB3  GLU  17           HB1      GLU  17  97.506   1.062   5.241
  133    HG2  GLU  17           HG2      GLU  17  95.920  -1.269   4.156
  134    HG3  GLU  17           HG1      GLU  17  97.645  -1.140   3.823
  135    H    GLY  18           HN       GLY  18  94.422  -1.251   5.192
  136    HA2  GLY  18           HA2      GLY  18  93.665  -2.680   6.810
  137    HA3  GLY  18           HA1      GLY  18  94.919  -1.984   7.836
  138    H    GLY  19           HN       GLY  19  92.598   0.173   6.532
  139    HA2  GLY  19           HA2      GLY  19  91.469   0.642   9.204
  140    HA3  GLY  19           HA1      GLY  19  91.346   1.713   7.811
  141    H    GLU  20           HN       GLU  20  89.049   1.673   8.686
  142    HA   GLU  20           HA       GLU  20  87.524  -0.431   7.260
  143    HB2  GLU  20           HB2      GLU  20  85.788  -0.263   9.029
  144    HB3  GLU  20           HB1      GLU  20  87.311  -0.900   9.639
  145    HG2  GLU  20           HG2      GLU  20  87.909   1.335  10.492
  146    HG3  GLU  20           HG1      GLU  20  86.384   1.975   9.879
  147    H    ALA  21           HN       ALA  21  85.368   0.280   6.612
  148    HA   ALA  21           HA       ALA  21  85.079   3.216   6.361
  149    HB1  ALA  21           HB1      ALA  21  85.031   1.201   4.107
  150    HB2  ALA  21           HB2      ALA  21  86.063   2.623   4.268
  151    HB3  ALA  21           HB3      ALA  21  84.337   2.813   3.969
  152    H    LEU  22           HN       LEU  22  83.059   3.949   6.493
  153    HA   LEU  22           HA       LEU  22  80.842   2.000   6.496
  154    HB2  LEU  22           HB2      LEU  22  80.976   4.327   8.411
  155    HB3  LEU  22           HB1      LEU  22  79.903   2.929   8.451
  156    HG   LEU  22           HG       LEU  22  82.277   1.631   8.598
  157   HD11  LEU  22          HD11      LEU  22  83.801   2.867  10.091
  158   HD12  LEU  22          HD12      LEU  22  82.758   4.283   9.984
  159   HD13  LEU  22          HD13      LEU  22  83.611   3.709   8.554
  160   HD21  LEU  22          HD21      LEU  22  80.513   1.298  10.219
  161   HD22  LEU  22          HD22      LEU  22  80.742   2.920  10.877
  162   HD23  LEU  22          HD23      LEU  22  81.984   1.689  11.112
  163    H    PHE  23           HN       PHE  23  79.361   2.524   5.056
  164    HA   PHE  23           HA       PHE  23  79.118   5.352   4.203
  165    HB2  PHE  23           HB2      PHE  23  78.651   2.712   2.826
  166    HB3  PHE  23           HB1      PHE  23  77.863   4.172   2.243
  167    HD1  PHE  23           HD2      PHE  23  79.160   6.038   1.331
  168    HD2  PHE  23           HD1      PHE  23  81.073   2.429   2.662
  169    HE1  PHE  23           HE2      PHE  23  81.223   6.690   0.131
  170    HE2  PHE  23           HE1      PHE  23  83.145   3.090   1.465
  171    HZ   PHE  23           HZ       PHE  23  83.211   5.223   0.196
  172    H    GLU  24           HN       GLU  24  77.584   6.265   5.431
  173    HA   GLU  24           HA       GLU  24  75.113   4.776   6.041
  174    HB2  GLU  24           HB2      GLU  24  76.356   7.281   7.172
  175    HB3  GLU  24           HB1      GLU  24  74.710   6.783   7.566
  176    HG2  GLU  24           HG2      GLU  24  75.541   4.631   8.392
  177    HG3  GLU  24           HG1      GLU  24  77.188   5.084   7.960
  178    H    CYS  25           HN       CYS  25  73.586   4.967   4.570
  179    HA   CYS  25           HA       CYS  25  72.974   7.636   3.423
  180    HB2  CYS  25           HB2      CYS  25  73.783   6.325   1.615
  181    HB3  CYS  25           HB1      CYS  25  72.950   4.881   2.181
  182    HG   CYS  25           HG       CYS  25  71.361   7.344   1.086
  183    H    GLN  26           HN       GLN  26  71.050   8.379   4.016
  184    HA   GLN  26           HA       GLN  26  69.037   6.496   5.111
  185    HB2  GLN  26           HB2      GLN  26  69.463   9.468   5.511
  186    HB3  GLN  26           HB1      GLN  26  68.083   8.572   6.148
  187    HG2  GLN  26           HG2      GLN  26  69.599   7.102   7.416
  188    HG3  GLN  26           HG1      GLN  26  70.991   7.950   6.746
  189   HE21  GLN  26          HE21      GLN  26  71.833   9.077   8.531
  190   HE22  GLN  26          HE22      GLN  26  70.924  10.124   9.512
  191    H    LEU  27           HN       LEU  27  67.084   6.292   4.146
  192    HA   LEU  27           HA       LEU  27  66.256   8.277   2.124
  193    HB2  LEU  27           HB2      LEU  27  65.398   6.188   0.778
  194    HB3  LEU  27           HB1      LEU  27  67.067   6.703   0.611
  195    HG   LEU  27           HG       LEU  27  66.775   4.232   0.905
  196   HD11  LEU  27          HD11      LEU  27  68.758   5.859   1.952
  197   HD12  LEU  27          HD12      LEU  27  68.817   4.103   1.878
  198   HD13  LEU  27          HD13      LEU  27  68.288   4.900   3.356
  199   HD21  LEU  27          HD21      LEU  27  64.856   4.597   2.595
  200   HD22  LEU  27          HD22      LEU  27  66.127   4.816   3.795
  201   HD23  LEU  27          HD23      LEU  27  65.992   3.297   2.920
  202    H    SER  28           HN       SER  28  63.940   7.992   1.506
  203    HA   SER  28           HA       SER  28  62.373   7.238   3.885
  204    HB2  SER  28           HB2      SER  28  62.179   9.583   3.236
  205    HB3  SER  28           HB1      SER  28  61.687   9.106   1.612
  206    HG   SER  28           HG       SER  28  60.281   8.002   3.747
  207    H    GLN  29           HN       GLN  29  61.817   5.136   3.593
  208    HA   GLN  29           HA       GLN  29  59.708   4.404   1.938
  209    HB2  GLN  29           HB2      GLN  29  61.042   2.710   0.507
  210    HB3  GLN  29           HB1      GLN  29  61.025   4.391  -0.000
  211    HG2  GLN  29           HG2      GLN  29  63.216   4.782   0.875
  212    HG3  GLN  29           HG1      GLN  29  63.212   3.244   1.733
  213   HE21  GLN  29          HE21      GLN  29  62.253   3.966  -1.655
  214   HE22  GLN  29          HE22      GLN  29  63.367   2.893  -2.354
  215    HA   PRO  30           HA       PRO  30  60.784   1.622   5.457
  216    HB2  PRO  30           HB2      PRO  30  57.947   1.286   5.983
  217    HB3  PRO  30           HB1      PRO  30  59.160   2.106   6.981
  218    HG2  PRO  30           HG2      PRO  30  57.081   3.339   5.556
  219    HG3  PRO  30           HG1      PRO  30  58.483   4.148   6.271
  220    HD2  PRO  30           HD2      PRO  30  57.941   3.528   3.422
  221    HD3  PRO  30           HD1      PRO  30  59.033   4.737   4.127
  222    H    GLU  31           HN       GLU  31  60.243   1.044   2.541
  223    HA   GLU  31           HA       GLU  31  59.675  -1.818   2.849
  224    HB2  GLU  31           HB2      GLU  31  58.178  -1.783   0.885
  225    HB3  GLU  31           HB1      GLU  31  57.524  -0.814   2.207
  226    HG2  GLU  31           HG2      GLU  31  58.466   1.229   1.145
  227    HG3  GLU  31           HG1      GLU  31  59.052   0.244  -0.194
  228    H    VAL  32           HN       VAL  32  60.138  -2.935   0.684
  229    HA   VAL  32           HA       VAL  32  61.377  -2.250  -1.514
  230    HB   VAL  32           HB       VAL  32  63.007  -0.787  -0.412
  231   HG11  VAL  32          HG11      VAL  32  64.298  -3.174   0.893
  232   HG12  VAL  32          HG12      VAL  32  62.974  -2.369   1.727
  233   HG13  VAL  32          HG13      VAL  32  64.434  -1.470   1.320
  234   HG21  VAL  32          HG21      VAL  32  64.411  -3.282  -1.350
  235   HG22  VAL  32          HG22      VAL  32  64.951  -1.610  -1.502
  236   HG23  VAL  32          HG23      VAL  32  63.574  -2.183  -2.446
  237    H    ALA  33           HN       ALA  33  61.240  -4.190  -2.463
  238    HA   ALA  33           HA       ALA  33  61.862  -6.615  -0.943
  239    HB1  ALA  33           HB1      ALA  33  59.800  -6.476  -2.343
  240    HB2  ALA  33           HB2      ALA  33  60.865  -7.803  -2.809
  241    HB3  ALA  33           HB3      ALA  33  60.821  -6.328  -3.775
  242    H    ALA  34           HN       ALA  34  62.770  -5.129  -4.044
  243    HA   ALA  34           HA       ALA  34  65.349  -6.615  -3.938
  244    HB1  ALA  34           HB1      ALA  34  64.012  -7.458  -5.752
  245    HB2  ALA  34           HB2      ALA  34  65.305  -6.471  -6.431
  246    HB3  ALA  34           HB3      ALA  34  63.669  -5.824  -6.320
  247    H    HIS  35           HN       HIS  35  67.194  -5.606  -4.497
  248    HA   HIS  35           HA       HIS  35  67.261  -2.861  -5.431
  249    HB2  HIS  35           HB2      HIS  35  68.937  -2.556  -3.266
  250    HB3  HIS  35           HB1      HIS  35  67.255  -2.025  -3.283
  251    HD1  HIS  35           HD1      HIS  35  66.377  -2.638  -1.028
  252    HD2  HIS  35           HD2      HIS  35  68.548  -5.756  -2.737
  253    HE1  HIS  35           HE1      HIS  35  66.029  -4.648   0.472
  254    H    THR  36           HN       THR  36  69.349  -2.318  -6.248
  255    HA   THR  36           HA       THR  36  71.186  -4.646  -6.490
  256    HB   THR  36           HB       THR  36  70.785  -2.296  -8.357
  257    HG1  THR  36           HG1      THR  36  69.373  -3.573  -9.204
  258   HG21  THR  36          HG21      THR  36  73.077  -2.908  -8.517
  259   HG22  THR  36          HG22      THR  36  72.289  -3.793  -9.823
  260   HG23  THR  36          HG23      THR  36  72.716  -4.622  -8.326
  261    H    TRP  37           HN       TRP  37  72.849  -4.482  -5.205
  262    HA   TRP  37           HA       TRP  37  74.048  -1.828  -4.621
  263    HB2  TRP  37           HB2      TRP  37  73.652  -4.345  -3.036
  264    HB3  TRP  37           HB1      TRP  37  75.108  -3.420  -2.722
  265    HD1  TRP  37           HD1      TRP  37  71.286  -2.999  -2.718
  266    HE1  TRP  37           HE1      TRP  37  70.688  -1.142  -1.029
  267    HE3  TRP  37           HE3      TRP  37  75.974  -1.432  -1.425
  268    HZ2  TRP  37           HZ2      TRP  37  72.025   0.756   0.643
  269    HZ3  TRP  37           HZ3      TRP  37  76.283   0.396   0.216
  270    HH2  TRP  37           HH2      TRP  37  74.315   1.491   1.251
  271    H    LEU  38           HN       LEU  38  75.617  -1.606  -6.191
  272    HA   LEU  38           HA       LEU  38  77.675  -3.742  -6.309
  273    HB2  LEU  38           HB2      LEU  38  76.554  -2.179  -8.639
  274    HB3  LEU  38           HB1      LEU  38  77.935  -3.269  -8.721
  275    HG   LEU  38           HG       LEU  38  75.157  -4.094  -7.813
  276   HD11  LEU  38          HD11      LEU  38  76.547  -4.645 -10.453
  277   HD12  LEU  38          HD12      LEU  38  75.302  -3.416 -10.226
  278   HD13  LEU  38          HD13      LEU  38  74.910  -5.121  -9.998
  279   HD21  LEU  38          HD21      LEU  38  77.796  -5.528  -8.180
  280   HD22  LEU  38          HD22      LEU  38  76.294  -6.410  -8.466
  281   HD23  LEU  38          HD23      LEU  38  76.608  -5.698  -6.887
  282    H    LEU  39           HN       LEU  39  79.436  -2.965  -5.464
  283    HA   LEU  39           HA       LEU  39  80.180  -0.143  -5.819
  284    HB2  LEU  39           HB2      LEU  39  82.214  -1.270  -4.323
  285    HB3  LEU  39           HB1      LEU  39  80.785  -0.547  -3.620
  286    HG   LEU  39           HG       LEU  39  79.679  -2.787  -3.650
  287   HD11  LEU  39          HD11      LEU  39  81.061  -3.774  -5.475
  288   HD12  LEU  39          HD12      LEU  39  81.058  -4.778  -4.031
  289   HD13  LEU  39          HD13      LEU  39  82.451  -3.773  -4.388
  290   HD21  LEU  39          HD21      LEU  39  82.248  -2.326  -2.138
  291   HD22  LEU  39          HD22      LEU  39  81.275  -3.768  -1.853
  292   HD23  LEU  39          HD23      LEU  39  80.589  -2.172  -1.567
  293    H    ASP  40           HN       ASP  40  82.744  -2.398  -5.499
  294    HA   ASP  40           HA       ASP  40  83.762  -1.877  -8.085
  295    HB2  ASP  40           HB2      ASP  40  85.070  -2.772  -6.037
  296    HB3  ASP  40           HB1      ASP  40  84.348  -4.338  -6.405
  297    H    ASP  41           HN       ASP  41  83.884  -3.726  -9.712
  298    HA   ASP  41           HA       ASP  41  81.266  -4.538 -10.350
  299    HB2  ASP  41           HB2      ASP  41  83.211  -4.132 -11.956
  300    HB3  ASP  41           HB1      ASP  41  83.756  -5.753 -11.531
  301    H    GLU  42           HN       GLU  42  81.889  -5.548  -7.744
  302    HA   GLU  42           HA       GLU  42  81.537  -8.439  -8.248
  303    HB2  GLU  42           HB2      GLU  42  83.284  -7.150  -6.131
  304    HB3  GLU  42           HB1      GLU  42  82.739  -8.828  -6.022
  305    HG2  GLU  42           HG2      GLU  42  83.850  -9.393  -8.095
  306    HG3  GLU  42           HG1      GLU  42  84.224  -7.701  -8.422
  307    HA   PRO  43           HA       PRO  43  77.817  -7.539  -5.936
  308    HB2  PRO  43           HB2      PRO  43  77.695 -10.174  -4.715
  309    HB3  PRO  43           HB1      PRO  43  76.707  -9.539  -6.037
  310    HG2  PRO  43           HG2      PRO  43  78.884 -11.427  -6.167
  311    HG3  PRO  43           HG1      PRO  43  77.803 -10.899  -7.464
  312    HD2  PRO  43           HD2      PRO  43  80.554 -10.247  -7.182
  313    HD3  PRO  43           HD1      PRO  43  79.416  -9.522  -8.336
  314    H    VAL  44           HN       VAL  44  77.581  -6.671  -3.852
  315    HA   VAL  44           HA       VAL  44  79.880  -7.065  -2.081
  316    HB   VAL  44           HB       VAL  44  79.323  -4.798  -2.554
  317   HG11  VAL  44          HG11      VAL  44  76.632  -5.184  -1.279
  318   HG12  VAL  44          HG12      VAL  44  76.879  -5.227  -3.017
  319   HG13  VAL  44          HG13      VAL  44  77.252  -3.767  -2.105
  320   HG21  VAL  44          HG21      VAL  44  78.448  -5.445   0.267
  321   HG22  VAL  44          HG22      VAL  44  79.161  -3.937  -0.296
  322   HG23  VAL  44          HG23      VAL  44  80.125  -5.413  -0.274
  323    H    ARG  45           HN       ARG  45  79.542  -9.021  -1.276
  324    HA   ARG  45           HA       ARG  45  77.754  -9.152   1.025
  325    HB2  ARG  45           HB2      ARG  45  76.455 -10.331  -0.714
  326    HB3  ARG  45           HB1      ARG  45  77.862 -11.300  -1.137
  327    HG2  ARG  45           HG2      ARG  45  76.442 -12.659   0.267
  328    HG3  ARG  45           HG1      ARG  45  77.846 -12.213   1.233
  329    HD2  ARG  45           HD2      ARG  45  76.593 -10.525   2.411
  330    HD3  ARG  45           HD1      ARG  45  75.241 -10.662   1.291
  331    HE   ARG  45           HE       ARG  45  75.548 -13.178   2.398
  332   HH11  ARG  45          HH11      ARG  45  74.976  -9.943   3.494
  333   HH12  ARG  45          HH12      ARG  45  74.095 -10.429   4.903
  334   HH21  ARG  45          HH21      ARG  45  74.408 -13.819   4.263
  335   HH22  ARG  45          HH22      ARG  45  73.776 -12.619   5.338
  336    H    THR  46           HN       THR  46  79.555 -11.626  -0.643
  337    HA   THR  46           HA       THR  46  81.435 -12.828  -0.113
  338    HB   THR  46           HB       THR  46  83.360 -11.545   0.072
  339    HG1  THR  46           HG1      THR  46  81.956 -10.388   2.115
  340   HG21  THR  46          HG21      THR  46  83.068  -9.594  -1.175
  341   HG22  THR  46          HG22      THR  46  81.515  -9.233  -0.431
  342   HG23  THR  46          HG23      THR  46  81.646 -10.546  -1.597
  343    H    SER  47           HN       SER  47  82.816 -11.449   2.587
  344    HA   SER  47           HA       SER  47  81.174 -12.988   4.498
  345    HB2  SER  47           HB2      SER  47  83.061 -14.394   3.635
  346    HB3  SER  47           HB1      SER  47  84.185 -13.208   4.294
  347    HG   SER  47           HG       SER  47  83.961 -14.428   6.017
  348    H    GLU  48           HN       GLU  48  83.444 -12.640   6.449
  349    HA   GLU  48           HA       GLU  48  82.507 -10.363   7.752
  350    HB2  GLU  48           HB2      GLU  48  85.173 -11.758   7.995
  351    HB3  GLU  48           HB1      GLU  48  84.580 -10.540   9.126
  352    HG2  GLU  48           HG2      GLU  48  82.593 -11.929   9.578
  353    HG3  GLU  48           HG1      GLU  48  83.194 -13.151   8.457
  354    H    ASN  49           HN       ASN  49  85.372 -10.695   5.686
  355    HA   ASN  49           HA       ASN  49  86.419  -8.118   6.083
  356    HB2  ASN  49           HB2      ASN  49  86.626 -10.028   3.757
  357    HB3  ASN  49           HB1      ASN  49  87.546  -8.527   3.857
  358   HD21  ASN  49          HD21      ASN  49  88.861 -11.077   3.862
  359   HD22  ASN  49          HD22      ASN  49  89.565 -11.312   5.387
  360    H    ALA  50           HN       ALA  50  83.457  -8.781   4.868
  361    HA   ALA  50           HA       ALA  50  82.863  -6.180   4.035
  362    HB1  ALA  50           HB1      ALA  50  84.182  -6.458   2.068
  363    HB2  ALA  50           HB2      ALA  50  82.509  -6.665   1.563
  364    HB3  ALA  50           HB3      ALA  50  83.545  -8.076   1.783
  365    H    GLU  51           HN       GLU  51  80.676  -5.989   4.140
  366    HA   GLU  51           HA       GLU  51  78.803  -7.881   3.199
  367    HB2  GLU  51           HB2      GLU  51  79.670  -9.258   5.067
  368    HB3  GLU  51           HB1      GLU  51  79.290  -7.960   6.196
  369    HG2  GLU  51           HG2      GLU  51  76.892  -8.151   5.585
  370    HG3  GLU  51           HG1      GLU  51  77.290  -9.466   4.476
  371    H    VAL  52           HN       VAL  52  76.712  -6.903   3.172
  372    HA   VAL  52           HA       VAL  52  76.594  -4.203   4.221
  373    HB   VAL  52           HB       VAL  52  74.384  -5.598   2.729
  374   HG11  VAL  52          HG11      VAL  52  74.000  -3.332   1.858
  375   HG12  VAL  52          HG12      VAL  52  75.414  -2.748   2.736
  376   HG13  VAL  52          HG13      VAL  52  74.008  -3.332   3.622
  377   HG21  VAL  52          HG21      VAL  52  75.381  -5.087   0.612
  378   HG22  VAL  52          HG22      VAL  52  76.572  -6.020   1.509
  379   HG23  VAL  52          HG23      VAL  52  76.745  -4.270   1.363
  380    H    VAL  53           HN       VAL  53  75.196  -3.470   5.696
  381    HA   VAL  53           HA       VAL  53  73.290  -5.312   6.985
  382    HB   VAL  53           HB       VAL  53  73.958  -4.330   9.211
  383   HG11  VAL  53          HG11      VAL  53  75.986  -5.753   9.439
  384   HG12  VAL  53          HG12      VAL  53  76.049  -5.907   7.683
  385   HG13  VAL  53          HG13      VAL  53  74.684  -6.571   8.579
  386   HG21  VAL  53          HG21      VAL  53  76.264  -3.365   9.319
  387   HG22  VAL  53          HG22      VAL  53  75.131  -2.352   8.427
  388   HG23  VAL  53          HG23      VAL  53  76.301  -3.343   7.554
  389    H    PHE  54           HN       PHE  54  71.377  -4.293   7.548
  390    HA   PHE  54           HA       PHE  54  71.270  -1.349   7.433
  391    HB2  PHE  54           HB2      PHE  54  69.585  -1.259   5.783
  392    HB3  PHE  54           HB1      PHE  54  70.750  -2.408   5.148
  393    HD1  PHE  54           HD1      PHE  54  67.509  -2.084   6.935
  394    HD2  PHE  54           HD2      PHE  54  70.133  -4.680   4.733
  395    HE1  PHE  54           HE1      PHE  54  65.707  -3.774   6.773
  396    HE2  PHE  54           HE2      PHE  54  68.325  -6.367   4.575
  397    HZ   PHE  54           HZ       PHE  54  66.111  -5.912   5.591
  398    H    PHE  55           HN       PHE  55  69.811  -0.454   8.830
  399    HA   PHE  55           HA       PHE  55  67.925  -2.271  10.223
  400    HB2  PHE  55           HB2      PHE  55  69.488  -0.096  11.618
  401    HB3  PHE  55           HB1      PHE  55  68.541  -1.399  12.342
  402    HD1  PHE  55           HD2      PHE  55  69.367  -3.780  12.188
  403    HD2  PHE  55           HD1      PHE  55  71.742  -0.432  10.925
  404    HE1  PHE  55           HE2      PHE  55  71.398  -5.204  12.232
  405    HE2  PHE  55           HE1      PHE  55  73.770  -1.854  10.975
  406    HZ   PHE  55           HZ       PHE  55  73.601  -4.235  11.623
  407    H    GLU  56           HN       GLU  56  66.808  -0.485  11.925
  408    HA   GLU  56           HA       GLU  56  65.229   1.163  12.088
  409    HB2  GLU  56           HB2      GLU  56  67.267   2.507  11.249
  410    HB3  GLU  56           HB1      GLU  56  66.466   2.492   9.683
  411    HG2  GLU  56           HG2      GLU  56  64.445   3.514  10.747
  412    HG3  GLU  56           HG1      GLU  56  65.301   3.551  12.281
  413    H    ASN  57           HN       ASN  57  64.987  -1.183  10.378
  414    HA   ASN  57           HA       ASN  57  63.427  -2.179   9.024
  415    HB2  ASN  57           HB2      ASN  57  61.953   0.397   9.564
  416    HB3  ASN  57           HB1      ASN  57  61.276  -0.928   8.628
  417   HD21  ASN  57          HD21      ASN  57  60.378   0.081  11.298
  418   HD22  ASN  57          HD22      ASN  57  60.481  -1.252  12.344
  419    H    GLY  58           HN       GLY  58  65.571  -1.132   7.688
  420    HA2  GLY  58           HA2      GLY  58  66.167  -0.907   5.453
  421    HA3  GLY  58           HA1      GLY  58  64.460  -0.830   5.050
  422    H    LEU  59           HN       LEU  59  65.117   1.437   7.441
  423    HA   LEU  59           HA       LEU  59  64.965   3.606   5.483
  424    HB2  LEU  59           HB2      LEU  59  64.920   3.644   8.492
  425    HB3  LEU  59           HB1      LEU  59  64.648   5.037   7.462
  426    HG   LEU  59           HG       LEU  59  62.953   2.521   7.506
  427   HD11  LEU  59          HD11      LEU  59  62.479   3.718   9.497
  428   HD12  LEU  59          HD12      LEU  59  61.228   4.236   8.369
  429   HD13  LEU  59          HD13      LEU  59  62.611   5.279   8.690
  430   HD21  LEU  59          HD21      LEU  59  61.418   4.242   6.174
  431   HD22  LEU  59          HD22      LEU  59  62.654   3.315   5.331
  432   HD23  LEU  59          HD23      LEU  59  62.966   4.990   5.781
  433    H    ARG  60           HN       ARG  60  67.374   1.928   7.164
  434    HA   ARG  60           HA       ARG  60  69.330   4.104   6.635
  435    HB2  ARG  60           HB2      ARG  60  68.809   3.729   9.134
  436    HB3  ARG  60           HB1      ARG  60  69.614   2.170   8.944
  437    HG2  ARG  60           HG2      ARG  60  71.649   3.286   8.151
  438    HG3  ARG  60           HG1      ARG  60  70.851   4.853   8.276
  439    HD2  ARG  60           HD2      ARG  60  72.220   4.529  10.249
  440    HD3  ARG  60           HD1      ARG  60  70.526   4.442  10.719
  441    HE   ARG  60           HE       ARG  60  71.471   1.834  10.147
  442   HH11  ARG  60          HH21      ARG  60  70.365   3.648  12.663
  443   HH12  ARG  60          HH22      ARG  60  71.358   2.938  13.893
  444   HH21  ARG  60          HH11      ARG  60  73.382   1.235  11.657
  445   HH22  ARG  60          HH12      ARG  60  73.060   1.575  13.326
  446    H    HIS  61           HN       HIS  61  71.222   3.447   5.662
  447    HA   HIS  61           HA       HIS  61  71.594   0.533   5.222
  448    HB2  HIS  61           HB2      HIS  61  71.707   2.762   3.188
  449    HB3  HIS  61           HB1      HIS  61  72.490   1.204   2.924
  450    HD1  HIS  61           HD1      HIS  61  69.080   2.761   3.377
  451    HD2  HIS  61           HD2      HIS  61  70.729  -0.937   2.385
  452    HE1  HIS  61           HE1      HIS  61  67.160   1.303   2.598
  453    H    LEU  62           HN       LEU  62  73.301   0.104   6.432
  454    HA   LEU  62           HA       LEU  62  75.691   1.855   6.260
  455    HB2  LEU  62           HB2      LEU  62  74.391   1.624   8.452
  456    HB3  LEU  62           HB1      LEU  62  74.935  -0.041   8.494
  457    HG   LEU  62           HG       LEU  62  76.972   2.152   8.144
  458   HD11  LEU  62          HD11      LEU  62  75.749   1.273  10.774
  459   HD12  LEU  62          HD12      LEU  62  75.591   2.869  10.043
  460   HD13  LEU  62          HD13      LEU  62  77.166   2.309  10.609
  461   HD21  LEU  62          HD21      LEU  62  77.832  -0.097   7.964
  462   HD22  LEU  62          HD22      LEU  62  76.957  -0.614   9.410
  463   HD23  LEU  62          HD23      LEU  62  78.309   0.510   9.548
  464    H    LEU  63           HN       LEU  63  77.315   0.961   5.147
  465    HA   LEU  63           HA       LEU  63  77.526  -1.999   4.946
  466    HB2  LEU  63           HB2      LEU  63  77.136  -1.159   2.783
  467    HB3  LEU  63           HB1      LEU  63  78.138   0.260   3.049
  468    HG   LEU  63           HG       LEU  63  80.164  -1.099   2.961
  469   HD11  LEU  63          HD11      LEU  63  79.816  -3.568   2.229
  470   HD12  LEU  63          HD12      LEU  63  78.201  -3.375   2.884
  471   HD13  LEU  63          HD13      LEU  63  79.593  -3.182   3.931
  472   HD21  LEU  63          HD21      LEU  63  78.244  -1.798   0.721
  473   HD22  LEU  63          HD22      LEU  63  80.004  -1.838   0.627
  474   HD23  LEU  63          HD23      LEU  63  79.168  -0.301   0.843
  475    H    LEU  64           HN       LEU  64  79.194  -2.869   6.101
  476    HA   LEU  64           HA       LEU  64  81.552  -1.158   6.638
  477    HB2  LEU  64           HB2      LEU  64  80.348  -1.660   8.661
  478    HB3  LEU  64           HB1      LEU  64  80.262  -3.367   8.250
  479    HG   LEU  64           HG       LEU  64  82.713  -3.563   8.472
  480   HD11  LEU  64          HD11      LEU  64  82.519  -0.602   9.053
  481   HD12  LEU  64          HD12      LEU  64  83.499  -1.387   7.816
  482   HD13  LEU  64          HD13      LEU  64  83.913  -1.571   9.517
  483   HD21  LEU  64          HD21      LEU  64  81.226  -3.833  10.455
  484   HD22  LEU  64          HD22      LEU  64  81.470  -2.126  10.834
  485   HD23  LEU  64          HD23      LEU  64  82.834  -3.247  10.888
  486    H    LEU  65           HN       LEU  65  83.477  -1.819   5.998
  487    HA   LEU  65           HA       LEU  65  83.989  -4.650   5.426
  488    HB2  LEU  65           HB2      LEU  65  85.125  -4.064   3.293
  489    HB3  LEU  65           HB1      LEU  65  83.387  -3.807   3.236
  490    HG   LEU  65           HG       LEU  65  85.388  -1.613   3.828
  491   HD11  LEU  65          HD11      LEU  65  84.956  -0.915   1.462
  492   HD12  LEU  65          HD12      LEU  65  84.064  -2.417   1.221
  493   HD13  LEU  65          HD13      LEU  65  85.789  -2.464   1.583
  494   HD21  LEU  65          HD21      LEU  65  83.369  -0.738   4.562
  495   HD22  LEU  65          HD22      LEU  65  82.404  -1.733   3.478
  496   HD23  LEU  65          HD23      LEU  65  83.245  -0.313   2.862
  497    H    LYS  66           HN       LYS  66  86.030  -5.268   6.016
  498    HA   LYS  66           HA       LYS  66  87.659  -3.240   7.364
  499    HB2  LYS  66           HB2      LYS  66  87.576  -6.259   7.486
  500    HB3  LYS  66           HB1      LYS  66  88.654  -5.255   8.449
  501    HG2  LYS  66           HG2      LYS  66  86.750  -4.154   9.506
  502    HG3  LYS  66           HG1      LYS  66  85.632  -5.059   8.482
  503    HD2  LYS  66           HD2      LYS  66  86.544  -7.182   9.439
  504    HD3  LYS  66           HD1      LYS  66  87.526  -6.223  10.545
  505    HE2  LYS  66           HE2      LYS  66  84.506  -6.052  10.364
  506    HE3  LYS  66           HE1      LYS  66  85.378  -7.013  11.558
  507    HZ1  LYS  66           HZ1      LYS  66  86.591  -4.793  12.007
  508    HZ2  LYS  66           HZ2      LYS  66  85.050  -5.057  12.673
  509    HZ3  LYS  66           HZ3      LYS  66  85.226  -4.090  11.286
  510    H    ASN  67           HN       ASN  67  89.991  -4.586   7.553
  511    HA   ASN  67           HA       ASN  67  92.089  -4.393   6.507
  512    HB2  ASN  67           HB2      ASN  67  91.272  -6.770   6.370
  513    HB3  ASN  67           HB1      ASN  67  90.754  -6.426   4.721
  514   HD21  ASN  67          HD21      ASN  67  92.290  -7.254   3.303
  515   HD22  ASN  67          HD22      ASN  67  93.972  -7.143   3.513
  516    H    LEU  68           HN       LEU  68  90.580  -2.259   5.550
  517    HA   LEU  68           HA       LEU  68  90.344  -2.220   2.734
  518    HB2  LEU  68           HB2      LEU  68  90.588  -0.027   4.775
  519    HB3  LEU  68           HB1      LEU  68  90.336   0.296   3.063
  520    HG   LEU  68           HG       LEU  68  88.544  -1.503   4.711
  521   HD11  LEU  68          HD11      LEU  68  88.026   1.367   3.877
  522   HD12  LEU  68          HD12      LEU  68  88.580   0.906   5.486
  523   HD13  LEU  68          HD13      LEU  68  87.016   0.353   4.901
  524   HD21  LEU  68          HD21      LEU  68  88.629  -0.631   1.851
  525   HD22  LEU  68          HD22      LEU  68  87.044  -0.602   2.603
  526   HD23  LEU  68          HD23      LEU  68  87.967  -2.100   2.563
  527    H    ARG  69           HN       ARG  69  91.963  -2.543   1.378
  528    HA   ARG  69           HA       ARG  69  94.616  -1.367   1.935
  529    HB2  ARG  69           HB2      ARG  69  94.271  -3.082  -0.477
  530    HB3  ARG  69           HB1      ARG  69  95.519  -3.131   0.768
  531    HG2  ARG  69           HG2      ARG  69  93.886  -4.213   2.313
  532    HG3  ARG  69           HG1      ARG  69  92.701  -4.229   1.009
  533    HD2  ARG  69           HD2      ARG  69  94.636  -5.449  -0.327
  534    HD3  ARG  69           HD1      ARG  69  95.228  -5.828   1.290
  535    HE   ARG  69           HE       ARG  69  92.443  -6.437   1.032
  536   HH11  ARG  69          HH11      ARG  69  95.637  -7.635   1.120
  537   HH12  ARG  69          HH12      ARG  69  95.218  -9.248   0.648
  538   HH21  ARG  69          HH21      ARG  69  91.891  -8.491   0.028
  539   HH22  ARG  69          HH22      ARG  69  93.099  -9.732   0.031
  540    HA   PRO  70           HA       PRO  70  94.189   1.580  -1.312
  541    HB2  PRO  70           HB2      PRO  70  96.308   0.774  -3.133
  542    HB3  PRO  70           HB1      PRO  70  96.334   2.082  -1.942
  543    HG2  PRO  70           HG2      PRO  70  97.795  -0.299  -1.790
  544    HG3  PRO  70           HG1      PRO  70  97.510   0.833  -0.458
  545    HD2  PRO  70           HD2      PRO  70  96.235  -1.800  -0.985
  546    HD3  PRO  70           HD1      PRO  70  96.426  -0.931   0.553
  547    H    GLN  71           HN       GLN  71  94.603  -1.675  -2.464
  548    HA   GLN  71           HA       GLN  71  93.620  -1.478  -5.069
  549    HB2  GLN  71           HB2      GLN  71  94.662  -3.518  -4.165
  550    HB3  GLN  71           HB1      GLN  71  93.272  -3.760  -3.107
  551    HG2  GLN  71           HG2      GLN  71  93.086  -5.169  -5.115
  552    HG3  GLN  71           HG1      GLN  71  91.799  -3.969  -5.094
  553   HE21  GLN  71          HE21      GLN  71  94.637  -5.072  -6.819
  554   HE22  GLN  71          HE22      GLN  71  94.558  -3.931  -8.076
  555    H    ASP  72           HN       ASP  72  91.769  -2.433  -2.132
  556    HA   ASP  72           HA       ASP  72  89.294  -2.663  -3.170
  557    HB2  ASP  72           HB2      ASP  72  90.133  -1.443  -0.544
  558    HB3  ASP  72           HB1      ASP  72  88.466  -1.869  -0.932
  559    H    SER  73           HN       SER  73  90.845   0.506  -2.342
  560    HA   SER  73           HA       SER  73  88.755   2.198  -2.474
  561    HB2  SER  73           HB2      SER  73  90.297   3.860  -2.965
  562    HB3  SER  73           HB1      SER  73  91.375   2.579  -2.416
  563    HG   SER  73           HG       SER  73  91.282   3.767  -4.788
  564    H    CYS  74           HN       CYS  74  87.103   2.379  -3.806
  565    HA   CYS  74           HA       CYS  74  87.509   2.579  -6.663
  566    HB2  CYS  74           HB2      CYS  74  87.359   0.072  -6.034
  567    HB3  CYS  74           HB1      CYS  74  85.641   0.391  -5.793
  568    HG   CYS  74           HG       CYS  74  86.072  -0.279  -8.327
  569    H    ARG  75           HN       ARG  75  84.694   1.696  -7.089
  570    HA   ARG  75           HA       ARG  75  83.359   4.202  -6.258
  571    HB2  ARG  75           HB2      ARG  75  83.241   2.404  -8.635
  572    HB3  ARG  75           HB1      ARG  75  81.735   3.188  -8.170
  573    HG2  ARG  75           HG2      ARG  75  83.198   4.406  -9.872
  574    HG3  ARG  75           HG1      ARG  75  82.637   5.353  -8.500
  575    HD2  ARG  75           HD2      ARG  75  84.759   5.449  -7.536
  576    HD3  ARG  75           HD1      ARG  75  85.294   3.965  -8.325
  577    HE   ARG  75           HE       ARG  75  84.753   6.046 -10.219
  578   HH11  ARG  75          HH11      ARG  75  86.986   4.994  -7.804
  579   HH12  ARG  75          HH12      ARG  75  88.377   5.643  -8.606
  580   HH21  ARG  75          HH21      ARG  75  86.576   6.839 -11.318
  581   HH22  ARG  75          HH22      ARG  75  88.145   6.689 -10.597
  582    H    VAL  76           HN       VAL  76  81.549   4.206  -5.058
  583    HA   VAL  76           HA       VAL  76  80.311   1.605  -4.355
  584    HB   VAL  76           HB       VAL  76  80.344   4.154  -2.727
  585   HG11  VAL  76          HG11      VAL  76  79.416   2.704  -0.960
  586   HG12  VAL  76          HG12      VAL  76  79.442   1.331  -2.065
  587   HG13  VAL  76          HG13      VAL  76  78.368   2.694  -2.378
  588   HG21  VAL  76          HG21      VAL  76  82.581   3.217  -2.769
  589   HG22  VAL  76          HG22      VAL  76  81.951   1.591  -2.502
  590   HG23  VAL  76          HG23      VAL  76  81.849   2.797  -1.219
  591    H    THR  77           HN       THR  77  78.281   1.360  -5.140
  592    HA   THR  77           HA       THR  77  76.619   3.780  -5.519
  593    HB   THR  77           HB       THR  77  75.915   3.043  -7.709
  594    HG1  THR  77           HG1      THR  77  77.834   1.020  -7.730
  595   HG21  THR  77          HG21      THR  77  78.920   2.792  -7.704
  596   HG22  THR  77          HG22      THR  77  78.123   4.325  -7.346
  597   HG23  THR  77          HG23      THR  77  77.884   3.550  -8.911
  598    H    PHE  78           HN       PHE  78  74.615   3.594  -4.867
  599    HA   PHE  78           HA       PHE  78  73.493   0.917  -4.255
  600    HB2  PHE  78           HB2      PHE  78  73.957   1.869  -2.143
  601    HB3  PHE  78           HB1      PHE  78  73.493   3.483  -2.668
  602    HD1  PHE  78           HD2      PHE  78  71.671   0.209  -3.041
  603    HD2  PHE  78           HD1      PHE  78  71.728   4.121  -1.262
  604    HE1  PHE  78           HE2      PHE  78  69.396  -0.170  -2.131
  605    HE2  PHE  78           HE1      PHE  78  69.455   3.740  -0.356
  606    HZ   PHE  78           HZ       PHE  78  68.291   1.600  -0.787
  607    H    LEU  79           HN       LEU  79  71.851   0.529  -5.622
  608    HA   LEU  79           HA       LEU  79  70.212   2.820  -6.575
  609    HB2  LEU  79           HB2      LEU  79  71.699   1.546  -8.211
  610    HB3  LEU  79           HB1      LEU  79  70.594   0.197  -8.007
  611    HG   LEU  79           HG       LEU  79  69.612   2.962  -8.788
  612   HD11  LEU  79          HD11      LEU  79  70.365   0.704 -10.663
  613   HD12  LEU  79          HD12      LEU  79  71.321   2.168 -10.423
  614   HD13  LEU  79          HD13      LEU  79  69.704   2.273 -11.120
  615   HD21  LEU  79          HD21      LEU  79  67.830   1.391  -9.903
  616   HD22  LEU  79          HD22      LEU  79  67.750   1.654  -8.169
  617   HD23  LEU  79          HD23      LEU  79  68.455   0.168  -8.800
  618    H    ALA  80           HN       ALA  80  68.619   2.702  -4.997
  619    HA   ALA  80           HA       ALA  80  66.959   0.249  -4.936
  620    HB1  ALA  80           HB1      ALA  80  67.303   0.727  -2.698
  621    HB2  ALA  80           HB2      ALA  80  65.898   1.755  -2.971
  622    HB3  ALA  80           HB3      ALA  80  67.519   2.452  -2.989
  623    H    GLY  81           HN       GLY  81  65.763   0.517  -6.804
  624    HA2  GLY  81           HA2      GLY  81  64.087   1.340  -8.161
  625    HA3  GLY  81           HA1      GLY  81  63.507   2.205  -6.738
  626    H    ASP  82           HN       ASP  82  62.967   3.999  -8.153
  627    HA   ASP  82           HA       ASP  82  64.655   5.353  -9.872
  628    HB2  ASP  82           HB2      ASP  82  62.203   5.747  -9.524
  629    HB3  ASP  82           HB1      ASP  82  62.608   6.642  -8.059
  630    H    MET  83           HN       MET  83  65.440   4.822  -6.749
  631    HA   MET  83           HA       MET  83  66.747   7.463  -6.362
  632    HB2  MET  83           HB2      MET  83  66.181   5.249  -4.385
  633    HB3  MET  83           HB1      MET  83  67.091   6.701  -4.015
  634    HG2  MET  83           HG2      MET  83  64.995   7.966  -4.945
  635    HG3  MET  83           HG1      MET  83  64.171   6.431  -4.690
  636    HE1  MET  83           HE1      MET  83  64.500   5.069  -2.765
  637    HE2  MET  83           HE2      MET  83  63.876   5.720  -1.252
  638    HE3  MET  83           HE3      MET  83  65.609   5.496  -1.454
  639    H    VAL  84           HN       VAL  84  68.864   7.647  -6.763
  640    HA   VAL  84           HA       VAL  84  70.609   5.304  -6.342
  641    HB   VAL  84           HB       VAL  84  70.234   5.310  -8.713
  642   HG11  VAL  84          HG11      VAL  84  70.918   8.263  -8.616
  643   HG12  VAL  84          HG12      VAL  84  69.320   7.583  -8.924
  644   HG13  VAL  84          HG13      VAL  84  70.625   7.329 -10.081
  645   HG21  VAL  84          HG21      VAL  84  72.828   6.820  -8.321
  646   HG22  VAL  84          HG22      VAL  84  72.475   5.552  -9.495
  647   HG23  VAL  84          HG23      VAL  84  72.622   5.151  -7.783
  648    H    THR  85           HN       THR  85  72.528   5.755  -5.459
  649    HA   THR  85           HA       THR  85  73.382   8.571  -5.117
  650    HB   THR  85           HB       THR  85  73.680   8.328  -2.794
  651    HG1  THR  85           HG1      THR  85  73.631   6.173  -1.871
  652   HG21  THR  85          HG21      THR  85  71.269   8.291  -3.285
  653   HG22  THR  85          HG22      THR  85  71.617   7.274  -1.889
  654   HG23  THR  85          HG23      THR  85  71.308   6.535  -3.451
  655    H    SER  86           HN       SER  86  75.707   8.804  -4.967
  656    HA   SER  86           HA       SER  86  77.367   6.415  -5.169
  657    HB2  SER  86           HB2      SER  86  77.058   8.324  -7.491
  658    HB3  SER  86           HB1      SER  86  78.377   7.166  -7.339
  659    HG   SER  86           HG       SER  86  76.238   6.609  -8.488
  660    H    ALA  87           HN       ALA  87  79.371   6.762  -4.351
  661    HA   ALA  87           HA       ALA  87  80.477   9.487  -4.299
  662    HB1  ALA  87           HB1      ALA  87  80.900   9.407  -1.914
  663    HB2  ALA  87           HB2      ALA  87  80.161   7.809  -1.802
  664    HB3  ALA  87           HB3      ALA  87  79.173   9.211  -2.207
  665    H    PHE  88           HN       PHE  88  82.715   9.564  -3.775
  666    HA   PHE  88           HA       PHE  88  84.174   7.343  -4.875
  667    HB2  PHE  88           HB2      PHE  88  85.189   9.910  -3.636
  668    HB3  PHE  88           HB1      PHE  88  86.120   8.792  -4.635
  669    HD1  PHE  88           HD2      PHE  88  85.634   8.535  -7.043
  670    HD2  PHE  88           HD1      PHE  88  83.527  11.378  -4.607
  671    HE1  PHE  88           HE2      PHE  88  84.807   9.669  -9.085
  672    HE2  PHE  88           HE1      PHE  88  82.701  12.517  -6.649
  673    HZ   PHE  88           HZ       PHE  88  83.339  11.660  -8.889
  674    H    LEU  89           HN       LEU  89  86.080   6.476  -3.879
  675    HA   LEU  89           HA       LEU  89  85.995   6.261  -0.931
  676    HB2  LEU  89           HB2      LEU  89  84.991   4.224  -1.850
  677    HB3  LEU  89           HB1      LEU  89  86.379   3.995  -2.907
  678    HG   LEU  89           HG       LEU  89  87.849   3.721  -0.946
  679   HD11  LEU  89          HD11      LEU  89  86.598   3.392   1.305
  680   HD12  LEU  89          HD12      LEU  89  85.305   4.324   0.555
  681   HD13  LEU  89          HD13      LEU  89  86.901   5.040   0.767
  682   HD21  LEU  89          HD21      LEU  89  87.081   1.542  -0.311
  683   HD22  LEU  89          HD22      LEU  89  86.517   1.802  -1.961
  684   HD23  LEU  89          HD23      LEU  89  85.399   1.979  -0.610
  685    H    THR  90           HN       THR  90  88.013   6.287   0.030
  686    HA   THR  90           HA       THR  90  90.376   6.275  -1.748
  687    HB   THR  90           HB       THR  90  91.258   8.267  -0.569
  688    HG1  THR  90           HG1      THR  90  88.646   8.666   0.387
  689   HG21  THR  90          HG21      THR  90  89.743   9.913  -1.654
  690   HG22  THR  90          HG22      THR  90  88.570   8.625  -1.920
  691   HG23  THR  90          HG23      THR  90  90.142   8.564  -2.715
  692    H    VAL  91           HN       VAL  91  91.875   4.982  -1.008
  693    HA   VAL  91           HA       VAL  91  92.255   4.685   1.910
  694    HB   VAL  91           HB       VAL  91  92.124   2.393  -0.067
  695   HG11  VAL  91          HG11      VAL  91  93.767   1.890   1.595
  696   HG12  VAL  91          HG12      VAL  91  92.298   1.070   2.114
  697   HG13  VAL  91          HG13      VAL  91  92.778   2.582   2.880
  698   HG21  VAL  91          HG21      VAL  91  90.131   1.720   1.224
  699   HG22  VAL  91          HG22      VAL  91  89.901   3.323   0.530
  700   HG23  VAL  91          HG23      VAL  91  90.297   3.151   2.240
  701    H    ARG  92           HN       ARG  92  94.326   5.118   2.383
  702    HA   ARG  92           HA       ARG  92  96.360   4.909   0.257
  703    HB2  ARG  92           HB2      ARG  92  96.024   7.108   1.363
  704    HB3  ARG  92           HB1      ARG  92  96.462   6.369   2.902
  705    HG2  ARG  92           HG2      ARG  92  98.673   5.759   1.977
  706    HG3  ARG  92           HG1      ARG  92  98.235   6.513   0.445
  707    HD2  ARG  92           HD2      ARG  92  99.537   8.108   1.706
  708    HD3  ARG  92           HD1      ARG  92  97.865   8.660   1.695
  709    HE   ARG  92           HE       ARG  92  97.740   8.225   3.993
  710   HH11  ARG  92          HH11      ARG  92 100.604   6.905   2.582
  711   HH12  ARG  92          HH12      ARG  92 101.375   6.585   4.100
  712   HH21  ARG  92          HH21      ARG  92  98.756   7.839   5.993
  713   HH22  ARG  92          HH22      ARG  92 100.328   7.115   6.031
  714    H    GLY  93           HN       GLY  93  98.187   3.698   0.475
  715    HA2  GLY  93           HA2      GLY  93  98.830   2.435   3.025
  716    HA3  GLY  93           HA1      GLY  93  98.336   1.347   1.734
  717    H    GLY  94           HN       GLY  94 100.466   4.217   1.974
  718    HA2  GLY  94           HA2      GLY  94 102.360   3.019   0.122
  719    HA3  GLY  94           HA1      GLY  94 102.487   4.610   0.865
  720    H    LEU  95           HN       LEU  95 103.382   4.805   2.969
  721    HA   LEU  95           HA       LEU  95 105.090   2.517   3.739
  722    HB2  LEU  95           HB2      LEU  95 106.268   4.592   3.172
  723    HB3  LEU  95           HB1      LEU  95 105.320   5.474   4.365
  724    HG   LEU  95           HG       LEU  95 106.290   4.158   6.179
  725   HD11  LEU  95          HD11      LEU  95 107.437   2.572   3.887
  726   HD12  LEU  95          HD12      LEU  95 106.671   1.994   5.367
  727   HD13  LEU  95          HD13      LEU  95 108.310   2.636   5.418
  728   HD21  LEU  95          HD21      LEU  95 108.542   4.991   4.337
  729   HD22  LEU  95          HD22      LEU  95 108.508   5.057   6.098
  730   HD23  LEU  95          HD23      LEU  95 107.507   6.160   5.154
  731    H    GLU  96           HN       GLU  96 104.604   1.400   5.503
  732    HA   GLU  96           HA       GLU  96 102.598   2.417   7.386
  733    HB2  GLU  96           HB2      GLU  96 103.901  -0.297   7.073
  734    HB3  GLU  96           HB1      GLU  96 102.701   0.088   8.305
  735    HG2  GLU  96           HG2      GLU  96 102.258   0.362   5.315
  736    HG3  GLU  96           HG1      GLU  96 101.699  -0.995   6.291
  737    H    HIS  97           HN       HIS  97 106.029   1.962   7.195
  738    HA   HIS  97           HA       HIS  97 106.388   1.978  10.097
  739    HB2  HIS  97           HB2      HIS  97 108.326   1.890   7.782
  740    HB3  HIS  97           HB1      HIS  97 108.838   1.997   9.466
  741    HD1  HIS  97           HD1      HIS  97 107.562   0.037  11.040
  742    HD2  HIS  97           HD2      HIS  97 108.090  -0.735   6.979
  743    HE1  HIS  97           HE1      HIS  97 107.351  -2.468  10.758
  744    H    HIS  98           HN       HIS  98 106.608   3.750  11.273
  745    HA   HIS  98           HA       HIS  98 107.734   6.197  10.080
  746    HB2  HIS  98           HB2      HIS  98 105.095   6.051  11.560
  747    HB3  HIS  98           HB1      HIS  98 105.941   7.548  11.162
  748    HD1  HIS  98           HD1      HIS  98 106.340   7.991   8.537
  749    HD2  HIS  98           HD2      HIS  98 103.588   4.997   9.458
  750    HE1  HIS  98           HE1      HIS  98 105.022   7.552   6.419
  751    H    HIS  99           HN       HIS  99 106.166   5.235  13.136
  752    HA   HIS  99           HA       HIS  99 108.663   5.305  14.584
  753    HB2  HIS  99           HB2      HIS  99 107.568   7.081  16.211
  754    HB3  HIS  99           HB1      HIS  99 108.460   7.615  14.790
  755    HD1  HIS  99           HD1      HIS  99 104.897   6.995  15.940
  756    HD2  HIS  99           HD2      HIS  99 106.944   9.017  12.921
  757    HE1  HIS  99           HE1      HIS  99 103.171   8.384  14.710
  758    H    HIS 100           HN       HIS 100 105.130   5.435  14.824
  759    HA   HIS 100           HA       HIS 100 105.231   3.233  16.813
  760    HB2  HIS 100           HB2      HIS 100 103.402   5.651  16.813
  761    HB3  HIS 100           HB1      HIS 100 103.248   4.267  17.898
  762    HD1  HIS 100           HD1      HIS 100 105.690   7.036  17.014
  763    HD2  HIS 100           HD2      HIS 100 104.961   4.331  20.101
  764    HE1  HIS 100           HE1      HIS 100 107.269   7.652  18.897
  765    H    HIS 101           HN       HIS 101 103.560   1.734  16.711
  766    HA   HIS 101           HA       HIS 101 101.485   1.993  14.680
  767    HB2  HIS 101           HB2      HIS 101 102.070  -0.117  13.557
  768    HB3  HIS 101           HB1      HIS 101 103.341   1.086  13.366
  769    HD1  HIS 101           HD1      HIS 101 105.152   0.859  15.612
  770    HD2  HIS 101           HD2      HIS 101 103.207  -2.534  14.173
  771    HE1  HIS 101           HE1      HIS 101 106.526  -1.134  16.370
  772    H    HIS 102           HN       HIS 102  99.866   0.313  14.837
  773    HA   HIS 102           HA       HIS 102  99.190  -0.300  17.502
  774    HB2  HIS 102           HB2      HIS 102  98.175  -1.540  14.932
  775    HB3  HIS 102           HB1      HIS 102  97.393  -1.665  16.508
  776    HD1  HIS 102           HD1      HIS 102  96.639   0.700  17.600
  777    HD2  HIS 102           HD2      HIS 102  97.545   0.785  13.532
  778    HE1  HIS 102           HE1      HIS 102  95.656   2.847  16.689
  Start of MODEL   18
    1    H1   THR   1           HT1      THR   1  56.318   4.266   3.394
    2    H2   THR   1           HT2      THR   1  54.702   4.655   3.747
    3    H3   THR   1           HT3      THR   1  55.331   4.949   2.195
    4    HA   THR   1           HA       THR   1  55.789   2.286   2.580
    5    HB   THR   1           HB       THR   1  54.287   2.412   4.562
    6    HG1  THR   1           HG1      THR   1  54.363   0.571   3.107
    7   HG21  THR   1          HG21      THR   1  52.906   4.315   3.438
    8   HG22  THR   1          HG22      THR   1  52.052   3.125   4.420
    9   HG23  THR   1          HG23      THR   1  52.024   2.999   2.662
   10    H    ALA   2           HN       ALA   2  55.244   4.766   0.855
   11    HA   ALA   2           HA       ALA   2  54.205   3.307  -1.410
   12    HB1  ALA   2           HB1      ALA   2  52.452   5.174  -1.819
   13    HB2  ALA   2           HB2      ALA   2  52.606   5.496  -0.092
   14    HB3  ALA   2           HB3      ALA   2  52.060   3.915  -0.648
   15    H    LYS   3           HN       LYS   3  56.160   5.607  -0.011
   16    HA   LYS   3           HA       LYS   3  56.669   6.963  -2.594
   17    HB2  LYS   3           HB2      LYS   3  55.651   8.339  -0.667
   18    HB3  LYS   3           HB1      LYS   3  57.206   8.126   0.143
   19    HG2  LYS   3           HG2      LYS   3  58.366   9.182  -1.716
   20    HG3  LYS   3           HG1      LYS   3  56.864   9.290  -2.637
   21    HD2  LYS   3           HD2      LYS   3  55.903  10.754  -0.892
   22    HD3  LYS   3           HD1      LYS   3  57.417  10.661   0.009
   23    HE2  LYS   3           HE2      LYS   3  58.619  11.668  -1.895
   24    HE3  LYS   3           HE1      LYS   3  57.109  11.757  -2.802
   25    HZ1  LYS   3           HZ1      LYS   3  56.566  12.930  -0.382
   26    HZ2  LYS   3           HZ2      LYS   3  56.809  13.728  -1.862
   27    HZ3  LYS   3           HZ3      LYS   3  58.109  13.505  -0.791
   28    H    ASN   4           HN       ASN   4  58.871   7.295  -3.136
   29    HA   ASN   4           HA       ASN   4  60.889   6.127  -1.328
   30    HB2  ASN   4           HB2      ASN   4  61.923   4.929  -3.158
   31    HB3  ASN   4           HB1      ASN   4  60.239   4.442  -3.050
   32   HD21  ASN   4          HD21      ASN   4  61.966   4.357  -5.461
   33   HD22  ASN   4          HD22      ASN   4  61.206   5.344  -6.614
   34    H    THR   5           HN       THR   5  62.060   7.951  -0.809
   35    HA   THR   5           HA       THR   5  63.248   9.462  -3.027
   36    HB   THR   5           HB       THR   5  61.666  10.822  -0.835
   37    HG1  THR   5           HG1      THR   5  60.311   9.862  -2.350
   38   HG21  THR   5          HG21      THR   5  62.091  12.841  -2.233
   39   HG22  THR   5          HG22      THR   5  63.135  11.871  -3.271
   40   HG23  THR   5          HG23      THR   5  63.575  12.145  -1.585
   41    H    VAL   6           HN       VAL   6  65.321   9.497  -2.619
   42    HA   VAL   6           HA       VAL   6  66.505   8.961  -0.119
   43    HB   VAL   6           HB       VAL   6  67.615  10.073  -2.696
   44   HG11  VAL   6          HG11      VAL   6  69.894   9.583  -1.554
   45   HG12  VAL   6          HG12      VAL   6  69.004   9.701  -0.035
   46   HG13  VAL   6          HG13      VAL   6  69.077  11.086  -1.123
   47   HG21  VAL   6          HG21      VAL   6  68.653   7.901  -2.858
   48   HG22  VAL   6          HG22      VAL   6  66.963   7.634  -2.437
   49   HG23  VAL   6          HG23      VAL   6  68.207   7.505  -1.200
   50    H    VAL   7           HN       VAL   7  67.159  10.140   1.515
   51    HA   VAL   7           HA       VAL   7  66.675  13.056   1.444
   52    HB   VAL   7           HB       VAL   7  66.937  11.147   3.783
   53   HG11  VAL   7          HG11      VAL   7  66.576  14.144   3.593
   54   HG12  VAL   7          HG12      VAL   7  67.811  13.254   4.484
   55   HG13  VAL   7          HG13      VAL   7  66.137  13.234   5.039
   56   HG21  VAL   7          HG21      VAL   7  64.561  11.571   4.098
   57   HG22  VAL   7          HG22      VAL   7  64.812  11.026   2.437
   58   HG23  VAL   7          HG23      VAL   7  64.557  12.739   2.775
   59    H    ARG   8           HN       ARG   8  69.011  10.517   2.134
   60    HA   ARG   8           HA       ARG   8  71.178  12.504   1.983
   61    HB2  ARG   8           HB2      ARG   8  71.308  12.287   4.272
   62    HB3  ARG   8           HB1      ARG   8  70.495  10.728   4.273
   63    HG2  ARG   8           HG2      ARG   8  72.489   9.568   3.642
   64    HG3  ARG   8           HG1      ARG   8  73.327  11.072   3.241
   65    HD2  ARG   8           HD2      ARG   8  72.349  10.304   6.008
   66    HD3  ARG   8           HD1      ARG   8  74.017  10.160   5.458
   67    HE   ARG   8           HE       ARG   8  72.621  12.619   6.155
   68   HH11  ARG   8          HH21      ARG   8  73.882  13.320   3.594
   69   HH12  ARG   8          HH22      ARG   8  75.492  13.775   4.044
   70   HH21  ARG   8          HH11      ARG   8  75.329  12.265   7.162
   71   HH22  ARG   8          HH12      ARG   8  76.311  13.178   6.064
   72    H    GLY   9           HN       GLY   9  72.577  11.899   0.479
   73    HA2  GLY   9           HA2      GLY   9  72.585   9.124  -0.433
   74    HA3  GLY   9           HA1      GLY   9  73.321  10.502  -1.260
   75    H    LEU  10           HN       LEU  10  74.986   8.546  -1.194
   76    HA   LEU  10           HA       LEU  10  76.483   8.239   1.223
   77    HB2  LEU  10           HB2      LEU  10  77.146   7.591  -1.651
   78    HB3  LEU  10           HB1      LEU  10  78.105   7.080  -0.260
   79    HG   LEU  10           HG       LEU  10  75.158   6.477  -0.603
   80   HD11  LEU  10          HD11      LEU  10  76.682   5.400  -2.325
   81   HD12  LEU  10          HD12      LEU  10  75.777   4.266  -1.323
   82   HD13  LEU  10          HD13      LEU  10  77.480   4.573  -0.990
   83   HD21  LEU  10          HD21      LEU  10  76.065   4.611   1.136
   84   HD22  LEU  10          HD22      LEU  10  75.463   6.180   1.655
   85   HD23  LEU  10          HD23      LEU  10  77.194   5.914   1.514
   86    H    GLU  11           HN       GLU  11  78.933   8.737   1.218
   87    HA   GLU  11           HA       GLU  11  79.513  11.322  -0.075
   88    HB2  GLU  11           HB2      GLU  11  79.794  10.709   2.882
   89    HB3  GLU  11           HB1      GLU  11  80.430  12.149   2.084
   90    HG2  GLU  11           HG2      GLU  11  78.157  12.781   1.389
   91    HG3  GLU  11           HG1      GLU  11  77.511  11.335   2.167
   92    H    ASN  12           HN       ASN  12  81.866  11.896   0.293
   93    HA   ASN  12           HA       ASN  12  83.544   9.821  -0.641
   94    HB2  ASN  12           HB2      ASN  12  84.059  12.171  -1.055
   95    HB3  ASN  12           HB1      ASN  12  84.237  12.463   0.673
   96   HD21  ASN  12          HD21      ASN  12  85.833  11.177  -2.176
   97   HD22  ASN  12          HD22      ASN  12  87.310  10.824  -1.417
   98    H    VAL  13           HN       VAL  13  85.191   8.638   0.439
   99    HA   VAL  13           HA       VAL  13  85.069   8.660   3.406
  100    HB   VAL  13           HB       VAL  13  84.932   6.252   1.583
  101   HG11  VAL  13          HG11      VAL  13  84.811   5.083   3.937
  102   HG12  VAL  13          HG12      VAL  13  85.671   6.519   4.493
  103   HG13  VAL  13          HG13      VAL  13  86.387   5.485   3.255
  104   HG21  VAL  13          HG21      VAL  13  83.116   7.378   3.740
  105   HG22  VAL  13          HG22      VAL  13  82.864   5.826   2.939
  106   HG23  VAL  13          HG23      VAL  13  82.782   7.325   2.010
  107    H    GLU  14           HN       GLU  14  86.985   8.701   4.379
  108    HA   GLU  14           HA       GLU  14  89.420   8.047   2.806
  109    HB2  GLU  14           HB2      GLU  14  88.903  10.328   4.715
  110    HB3  GLU  14           HB1      GLU  14  90.523   9.846   4.215
  111    HG2  GLU  14           HG2      GLU  14  89.985  10.254   1.887
  112    HG3  GLU  14           HG1      GLU  14  88.300  10.578   2.288
  113    H    ALA  15           HN       ALA  15  90.719   6.560   3.674
  114    HA   ALA  15           HA       ALA  15  90.997   6.300   6.557
  115    HB1  ALA  15           HB1      ALA  15  90.470   3.854   6.517
  116    HB2  ALA  15           HB2      ALA  15  89.841   4.057   4.881
  117    HB3  ALA  15           HB3      ALA  15  89.065   4.882   6.233
  118    H    LEU  16           HN       LEU  16  92.944   5.458   7.143
  119    HA   LEU  16           HA       LEU  16  94.975   5.207   5.133
  120    HB2  LEU  16           HB2      LEU  16  94.917   4.862   8.132
  121    HB3  LEU  16           HB1      LEU  16  96.359   4.472   7.200
  122    HG   LEU  16           HG       LEU  16  96.252   6.811   6.231
  123   HD11  LEU  16          HD11      LEU  16  93.974   7.436   6.628
  124   HD12  LEU  16          HD12      LEU  16  94.946   8.439   7.704
  125   HD13  LEU  16          HD13      LEU  16  94.092   7.036   8.342
  126   HD21  LEU  16          HD21      LEU  16  96.630   6.316   9.189
  127   HD22  LEU  16          HD22      LEU  16  97.006   7.872   8.452
  128   HD23  LEU  16          HD23      LEU  16  97.865   6.421   7.935
  129    H    GLU  17           HN       GLU  17  96.376   3.292   4.885
  130    HA   GLU  17           HA       GLU  17  95.090   0.986   4.130
  131    HB2  GLU  17           HB2      GLU  17  97.429   1.395   3.626
  132    HB3  GLU  17           HB1      GLU  17  97.868   1.205   5.315
  133    HG2  GLU  17           HG2      GLU  17  96.410  -1.005   3.867
  134    HG3  GLU  17           HG1      GLU  17  98.151  -0.834   3.685
  135    H    GLY  18           HN       GLY  18  94.750  -1.060   5.029
  136    HA2  GLY  18           HA2      GLY  18  93.984  -2.515   6.617
  137    HA3  GLY  18           HA1      GLY  18  95.306  -1.915   7.607
  138    H    GLY  19           HN       GLY  19  92.877   0.322   6.522
  139    HA2  GLY  19           HA2      GLY  19  92.043   0.752   9.303
  140    HA3  GLY  19           HA1      GLY  19  91.723   1.815   7.939
  141    H    GLU  20           HN       GLU  20  89.618   1.610   9.336
  142    HA   GLU  20           HA       GLU  20  87.892  -0.540   8.217
  143    HB2  GLU  20           HB2      GLU  20  88.109  -0.585  10.682
  144    HB3  GLU  20           HB1      GLU  20  87.564   1.090  10.758
  145    HG2  GLU  20           HG2      GLU  20  85.413   0.462   9.770
  146    HG3  GLU  20           HG1      GLU  20  85.953  -1.209   9.616
  147    H    ALA  21           HN       ALA  21  85.756   0.138   7.437
  148    HA   ALA  21           HA       ALA  21  85.185   3.003   7.377
  149    HB1  ALA  21           HB1      ALA  21  85.123   2.953   4.797
  150    HB2  ALA  21           HB2      ALA  21  86.150   1.530   4.939
  151    HB3  ALA  21           HB3      ALA  21  86.697   3.077   5.582
  152    H    LEU  22           HN       LEU  22  83.107   3.563   6.541
  153    HA   LEU  22           HA       LEU  22  81.350   1.386   5.683
  154    HB2  LEU  22           HB2      LEU  22  79.685   2.539   7.556
  155    HB3  LEU  22           HB1      LEU  22  80.586   1.050   7.808
  156    HG   LEU  22           HG       LEU  22  82.481   2.423   8.745
  157   HD11  LEU  22          HD11      LEU  22  80.403   4.628   8.551
  158   HD12  LEU  22          HD12      LEU  22  81.915   4.555   7.648
  159   HD13  LEU  22          HD13      LEU  22  81.943   4.756   9.399
  160   HD21  LEU  22          HD21      LEU  22  79.788   2.770  10.095
  161   HD22  LEU  22          HD22      LEU  22  81.360   2.848  10.888
  162   HD23  LEU  22          HD23      LEU  22  80.798   1.329  10.192
  163    H    PHE  23           HN       PHE  23  79.413   2.033   4.729
  164    HA   PHE  23           HA       PHE  23  79.251   4.892   3.938
  165    HB2  PHE  23           HB2      PHE  23  78.845   2.342   2.374
  166    HB3  PHE  23           HB1      PHE  23  78.138   3.857   1.842
  167    HD1  PHE  23           HD2      PHE  23  79.538   5.723   1.092
  168    HD2  PHE  23           HD1      PHE  23  81.262   1.995   2.360
  169    HE1  PHE  23           HE2      PHE  23  81.696   6.367   0.057
  170    HE2  PHE  23           HE1      PHE  23  83.417   2.643   1.320
  171    HZ   PHE  23           HZ       PHE  23  83.630   4.828   0.169
  172    H    GLU  24           HN       GLU  24  77.545   5.749   5.049
  173    HA   GLU  24           HA       GLU  24  75.108   4.096   5.439
  174    HB2  GLU  24           HB2      GLU  24  76.149   6.550   6.864
  175    HB3  GLU  24           HB1      GLU  24  74.531   5.900   7.123
  176    HG2  GLU  24           HG2      GLU  24  75.444   3.784   7.885
  177    HG3  GLU  24           HG1      GLU  24  77.082   4.303   7.488
  178    H    CYS  25           HN       CYS  25  73.372   4.490   4.253
  179    HA   CYS  25           HA       CYS  25  72.866   7.226   3.203
  180    HB2  CYS  25           HB2      CYS  25  71.665   5.520   1.353
  181    HB3  CYS  25           HB1      CYS  25  73.208   6.336   1.119
  182    HG   CYS  25           HG       CYS  25  74.289   4.095   2.262
  183    H    GLN  26           HN       GLN  26  71.015   7.987   3.904
  184    HA   GLN  26           HA       GLN  26  68.948   6.115   4.911
  185    HB2  GLN  26           HB2      GLN  26  69.823   7.664   6.592
  186    HB3  GLN  26           HB1      GLN  26  69.457   9.035   5.544
  187    HG2  GLN  26           HG2      GLN  26  67.095   8.576   5.659
  188    HG3  GLN  26           HG1      GLN  26  67.381   7.065   6.520
  189   HE21  GLN  26          HE21      GLN  26  66.721   7.392   8.659
  190   HE22  GLN  26          HE22      GLN  26  67.108   8.758   9.591
  191    H    LEU  27           HN       LEU  27  66.711   6.629   4.415
  192    HA   LEU  27           HA       LEU  27  66.211   8.625   2.357
  193    HB2  LEU  27           HB2      LEU  27  65.203   6.820   0.831
  194    HB3  LEU  27           HB1      LEU  27  66.954   6.962   0.875
  195    HG   LEU  27           HG       LEU  27  67.173   5.040   2.298
  196   HD11  LEU  27          HD11      LEU  27  64.154   5.175   2.508
  197   HD12  LEU  27          HD12      LEU  27  65.333   5.216   3.825
  198   HD13  LEU  27          HD13      LEU  27  65.070   3.730   2.921
  199   HD21  LEU  27          HD21      LEU  27  65.088   4.523   0.164
  200   HD22  LEU  27          HD22      LEU  27  66.158   3.308   0.868
  201   HD23  LEU  27          HD23      LEU  27  66.829   4.616  -0.108
  202    H    SER  28           HN       SER  28  63.836   7.864   1.398
  203    HA   SER  28           HA       SER  28  62.096   7.537   3.774
  204    HB2  SER  28           HB2      SER  28  61.698   9.252   1.312
  205    HB3  SER  28           HB1      SER  28  60.427   8.912   2.482
  206    HG   SER  28           HG       SER  28  62.629  10.566   2.655
  207    H    GLN  29           HN       GLN  29  61.766   5.362   3.553
  208    HA   GLN  29           HA       GLN  29  59.825   4.411   1.763
  209    HB2  GLN  29           HB2      GLN  29  61.902   4.598   0.245
  210    HB3  GLN  29           HB1      GLN  29  62.555   3.260   1.183
  211    HG2  GLN  29           HG2      GLN  29  60.501   1.942   0.651
  212    HG3  GLN  29           HG1      GLN  29  59.959   3.265  -0.379
  213   HE21  GLN  29          HE21      GLN  29  60.106   1.889  -2.314
  214   HE22  GLN  29          HE22      GLN  29  61.616   1.476  -2.971
  215    HA   PRO  30           HA       PRO  30  60.544   2.046   5.649
  216    HB2  PRO  30           HB2      PRO  30  57.799   1.125   5.599
  217    HB3  PRO  30           HB1      PRO  30  58.549   2.282   6.706
  218    HG2  PRO  30           HG2      PRO  30  56.675   2.855   4.677
  219    HG3  PRO  30           HG1      PRO  30  57.599   4.021   5.632
  220    HD2  PRO  30           HD2      PRO  30  57.981   3.232   2.821
  221    HD3  PRO  30           HD1      PRO  30  58.637   4.630   3.696
  222    H    GLU  31           HN       GLU  31  59.479   0.921   2.541
  223    HA   GLU  31           HA       GLU  31  60.580  -1.716   3.177
  224    HB2  GLU  31           HB2      GLU  31  58.636  -2.911   2.319
  225    HB3  GLU  31           HB1      GLU  31  58.153  -1.895   3.673
  226    HG2  GLU  31           HG2      GLU  31  56.482  -1.396   2.120
  227    HG3  GLU  31           HG1      GLU  31  57.639  -0.108   1.803
  228    H    VAL  32           HN       VAL  32  61.765  -2.433   1.551
  229    HA   VAL  32           HA       VAL  32  62.165  -0.871  -0.744
  230    HB   VAL  32           HB       VAL  32  63.971  -2.140   0.225
  231   HG11  VAL  32          HG11      VAL  32  63.988  -4.543   0.340
  232   HG12  VAL  32          HG12      VAL  32  62.493  -4.657  -0.591
  233   HG13  VAL  32          HG13      VAL  32  62.462  -4.016   1.051
  234   HG21  VAL  32          HG21      VAL  32  63.300  -3.506  -2.383
  235   HG22  VAL  32          HG22      VAL  32  64.884  -3.036  -1.770
  236   HG23  VAL  32          HG23      VAL  32  63.747  -1.803  -2.315
  237    H    ALA  33           HN       ALA  33  61.854  -1.291  -2.846
  238    HA   ALA  33           HA       ALA  33  59.674  -3.177  -3.566
  239    HB1  ALA  33           HB1      ALA  33  60.540  -0.765  -5.172
  240    HB2  ALA  33           HB2      ALA  33  59.324  -0.646  -3.899
  241    HB3  ALA  33           HB3      ALA  33  59.038  -1.680  -5.298
  242    H    ALA  34           HN       ALA  34  62.765  -1.766  -4.432
  243    HA   ALA  34           HA       ALA  34  63.803  -4.195  -5.508
  244    HB1  ALA  34           HB1      ALA  34  63.194  -1.991  -7.501
  245    HB2  ALA  34           HB2      ALA  34  62.402  -3.566  -7.437
  246    HB3  ALA  34           HB3      ALA  34  64.115  -3.457  -7.836
  247    H    HIS  35           HN       HIS  35  65.857  -4.081  -4.807
  248    HA   HIS  35           HA       HIS  35  67.308  -1.494  -5.014
  249    HB2  HIS  35           HB2      HIS  35  67.039  -3.371  -2.672
  250    HB3  HIS  35           HB1      HIS  35  68.464  -2.349  -2.829
  251    HD1  HIS  35           HD1      HIS  35  65.413  -0.778  -4.151
  252    HD2  HIS  35           HD2      HIS  35  67.339  -1.001  -0.465
  253    HE1  HIS  35           HE1      HIS  35  64.383   1.019  -2.693
  254    H    THR  36           HN       THR  36  69.290  -1.606  -5.887
  255    HA   THR  36           HA       THR  36  70.659  -4.243  -6.079
  256    HB   THR  36           HB       THR  36  71.521  -3.558  -8.290
  257    HG1  THR  36           HG1      THR  36  71.086  -1.244  -7.698
  258   HG21  THR  36          HG21      THR  36  68.515  -3.292  -8.332
  259   HG22  THR  36          HG22      THR  36  69.312  -4.825  -7.975
  260   HG23  THR  36          HG23      THR  36  69.562  -4.042  -9.535
  261    H    TRP  37           HN       TRP  37  72.660  -4.149  -5.126
  262    HA   TRP  37           HA       TRP  37  73.941  -1.474  -4.859
  263    HB2  TRP  37           HB2      TRP  37  72.848  -2.522  -2.773
  264    HB3  TRP  37           HB1      TRP  37  74.181  -3.666  -2.808
  265    HD1  TRP  37           HD1      TRP  37  76.039  -0.970  -3.998
  266    HE1  TRP  37           HE1      TRP  37  77.044   0.510  -2.151
  267    HE3  TRP  37           HE3      TRP  37  73.141  -2.398  -0.035
  268    HZ2  TRP  37           HZ2      TRP  37  76.676   1.027   0.638
  269    HZ3  TRP  37           HZ3      TRP  37  73.494  -1.393   2.200
  270    HH2  TRP  37           HH2      TRP  37  75.255   0.316   2.543
  271    H    LEU  38           HN       LEU  38  75.445  -1.646  -6.433
  272    HA   LEU  38           HA       LEU  38  77.495  -3.781  -6.123
  273    HB2  LEU  38           HB2      LEU  38  76.679  -2.406  -8.698
  274    HB3  LEU  38           HB1      LEU  38  77.904  -3.664  -8.527
  275    HG   LEU  38           HG       LEU  38  74.955  -3.995  -7.866
  276   HD11  LEU  38          HD11      LEU  38  75.465  -3.766 -10.308
  277   HD12  LEU  38          HD12      LEU  38  74.869  -5.371  -9.887
  278   HD13  LEU  38          HD13      LEU  38  76.592  -5.118 -10.169
  279   HD21  LEU  38          HD21      LEU  38  75.777  -6.494  -7.962
  280   HD22  LEU  38          HD22      LEU  38  76.079  -5.558  -6.502
  281   HD23  LEU  38          HD23      LEU  38  77.374  -5.801  -7.675
  282    H    LEU  39           HN       LEU  39  79.272  -2.952  -5.300
  283    HA   LEU  39           HA       LEU  39  79.966  -0.129  -5.787
  284    HB2  LEU  39           HB2      LEU  39  81.728  -0.955  -3.865
  285    HB3  LEU  39           HB1      LEU  39  80.146  -0.309  -3.490
  286    HG   LEU  39           HG       LEU  39  79.231  -2.628  -3.492
  287   HD11  LEU  39          HD11      LEU  39  80.981  -3.662  -4.920
  288   HD12  LEU  39          HD12      LEU  39  80.807  -4.508  -3.383
  289   HD13  LEU  39          HD13      LEU  39  82.159  -3.407  -3.631
  290   HD21  LEU  39          HD21      LEU  39  79.687  -1.728  -1.369
  291   HD22  LEU  39          HD22      LEU  39  81.435  -1.809  -1.605
  292   HD23  LEU  39          HD23      LEU  39  80.510  -3.285  -1.349
  293    H    ASP  40           HN       ASP  40  82.605  -2.083  -4.806
  294    HA   ASP  40           HA       ASP  40  84.053  -1.693  -7.143
  295    HB2  ASP  40           HB2      ASP  40  84.352  -4.245  -5.531
  296    HB3  ASP  40           HB1      ASP  40  85.604  -3.264  -6.293
  297    H    ASP  41           HN       ASP  41  84.489  -3.505  -8.743
  298    HA   ASP  41           HA       ASP  41  82.078  -4.304  -9.937
  299    HB2  ASP  41           HB2      ASP  41  84.932  -5.148 -10.449
  300    HB3  ASP  41           HB1      ASP  41  83.575  -5.674 -11.443
  301    H    GLU  42           HN       GLU  42  82.282  -5.330  -7.203
  302    HA   GLU  42           HA       GLU  42  81.907  -8.202  -7.791
  303    HB2  GLU  42           HB2      GLU  42  83.459  -6.932  -5.529
  304    HB3  GLU  42           HB1      GLU  42  82.826  -8.575  -5.413
  305    HG2  GLU  42           HG2      GLU  42  84.093  -9.251  -7.374
  306    HG3  GLU  42           HG1      GLU  42  84.630  -7.593  -7.642
  307    HA   PRO  43           HA       PRO  43  77.972  -7.248  -5.890
  308    HB2  PRO  43           HB2      PRO  43  77.664  -9.906  -4.751
  309    HB3  PRO  43           HB1      PRO  43  76.825  -9.209  -6.143
  310    HG2  PRO  43           HG2      PRO  43  78.934 -11.163  -6.129
  311    HG3  PRO  43           HG1      PRO  43  78.037 -10.525  -7.511
  312    HD2  PRO  43           HD2      PRO  43  80.764  -9.998  -6.855
  313    HD3  PRO  43           HD1      PRO  43  79.810  -9.221  -8.132
  314    H    VAL  44           HN       VAL  44  77.424  -6.501  -3.850
  315    HA   VAL  44           HA       VAL  44  79.516  -6.715  -1.842
  316    HB   VAL  44           HB       VAL  44  78.645  -4.541  -2.388
  317   HG11  VAL  44          HG11      VAL  44  75.986  -5.185  -1.155
  318   HG12  VAL  44          HG12      VAL  44  76.261  -5.557  -2.851
  319   HG13  VAL  44          HG13      VAL  44  76.418  -3.899  -2.274
  320   HG21  VAL  44          HG21      VAL  44  77.849  -5.442   0.387
  321   HG22  VAL  44          HG22      VAL  44  78.084  -3.779  -0.104
  322   HG23  VAL  44          HG23      VAL  44  79.442  -4.898  -0.104
  323    H    ARG  45           HN       ARG  45  79.284  -8.823  -1.246
  324    HA   ARG  45           HA       ARG  45  77.378  -9.245   0.918
  325    HB2  ARG  45           HB2      ARG  45  76.264 -10.356  -0.983
  326    HB3  ARG  45           HB1      ARG  45  77.750 -11.209  -1.383
  327    HG2  ARG  45           HG2      ARG  45  76.533 -12.824  -0.184
  328    HG3  ARG  45           HG1      ARG  45  77.582 -12.163   1.058
  329    HD2  ARG  45           HD2      ARG  45  75.688 -10.569   1.651
  330    HD3  ARG  45           HD1      ARG  45  74.670 -11.512   0.571
  331    HE   ARG  45           HE       ARG  45  76.018 -13.149   2.511
  332   HH11  ARG  45          HH21      ARG  45  73.101 -13.198   1.399
  333   HH12  ARG  45          HH22      ARG  45  72.210 -12.936   2.862
  334   HH21  ARG  45          HH11      ARG  45  74.973 -11.866   4.661
  335   HH22  ARG  45          HH12      ARG  45  73.271 -12.182   4.712
  336    H    THR  46           HN       THR  46  79.207 -11.787  -0.520
  337    HA   THR  46           HA       THR  46  81.127 -12.888   0.081
  338    HB   THR  46           HB       THR  46  83.022 -11.565   0.373
  339    HG1  THR  46           HG1      THR  46  83.105 -10.176   1.930
  340   HG21  THR  46          HG21      THR  46  81.296 -10.725  -1.485
  341   HG22  THR  46          HG22      THR  46  82.796  -9.853  -1.170
  342   HG23  THR  46          HG23      THR  46  81.283  -9.281  -0.471
  343    H    SER  47           HN       SER  47  82.567 -11.541   2.635
  344    HA   SER  47           HA       SER  47  80.897 -12.861   4.694
  345    HB2  SER  47           HB2      SER  47  82.767 -14.335   3.727
  346    HB3  SER  47           HB1      SER  47  83.884 -13.242   4.536
  347    HG   SER  47           HG       SER  47  83.013 -13.805   6.480
  348    H    GLU  48           HN       GLU  48  83.315 -12.589   6.502
  349    HA   GLU  48           HA       GLU  48  82.590 -10.242   7.801
  350    HB2  GLU  48           HB2      GLU  48  84.658 -10.483   9.085
  351    HB3  GLU  48           HB1      GLU  48  83.896 -12.055   8.850
  352    HG2  GLU  48           HG2      GLU  48  85.421 -12.415   6.876
  353    HG3  GLU  48           HG1      GLU  48  86.257 -10.928   7.318
  354    H    ASN  49           HN       ASN  49  85.182 -10.753   5.440
  355    HA   ASN  49           HA       ASN  49  86.316  -8.174   5.606
  356    HB2  ASN  49           HB2      ASN  49  87.454  -8.701   3.559
  357    HB3  ASN  49           HB1      ASN  49  87.364 -10.173   4.521
  358   HD21  ASN  49          HD21      ASN  49  87.740 -10.580   1.837
  359   HD22  ASN  49          HD22      ASN  49  86.309 -11.113   1.096
  360    H    ALA  50           HN       ALA  50  83.234  -8.802   4.822
  361    HA   ALA  50           HA       ALA  50  82.509  -6.291   3.944
  362    HB1  ALA  50           HB1      ALA  50  82.011  -6.940   1.450
  363    HB2  ALA  50           HB2      ALA  50  83.308  -8.113   1.685
  364    HB3  ALA  50           HB3      ALA  50  83.628  -6.391   1.886
  365    H    GLU  51           HN       GLU  51  80.302  -6.175   4.120
  366    HA   GLU  51           HA       GLU  51  78.476  -8.120   3.221
  367    HB2  GLU  51           HB2      GLU  51  79.452  -9.514   5.039
  368    HB3  GLU  51           HB1      GLU  51  79.005  -8.271   6.203
  369    HG2  GLU  51           HG2      GLU  51  76.650  -8.564   5.677
  370    HG3  GLU  51           HG1      GLU  51  77.044  -9.709   4.395
  371    H    VAL  52           HN       VAL  52  76.328  -7.274   3.308
  372    HA   VAL  52           HA       VAL  52  76.120  -4.593   4.402
  373    HB   VAL  52           HB       VAL  52  73.961  -6.126   2.948
  374   HG11  VAL  52          HG11      VAL  52  74.713  -3.198   3.150
  375   HG12  VAL  52          HG12      VAL  52  73.331  -3.986   3.912
  376   HG13  VAL  52          HG13      VAL  52  73.403  -3.834   2.156
  377   HG21  VAL  52          HG21      VAL  52  74.844  -5.482   0.834
  378   HG22  VAL  52          HG22      VAL  52  76.175  -6.252   1.687
  379   HG23  VAL  52          HG23      VAL  52  76.097  -4.489   1.567
  380    H    VAL  53           HN       VAL  53  74.673  -3.958   5.945
  381    HA   VAL  53           HA       VAL  53  72.954  -5.979   7.236
  382    HB   VAL  53           HB       VAL  53  73.571  -4.877   9.457
  383   HG11  VAL  53          HG11      VAL  53  75.594  -6.284   9.705
  384   HG12  VAL  53          HG12      VAL  53  75.680  -6.456   7.952
  385   HG13  VAL  53          HG13      VAL  53  74.315  -7.134   8.839
  386   HG21  VAL  53          HG21      VAL  53  75.734  -3.769   9.572
  387   HG22  VAL  53          HG22      VAL  53  74.722  -2.924   8.405
  388   HG23  VAL  53          HG23      VAL  53  75.989  -4.012   7.843
  389    H    PHE  54           HN       PHE  54  70.980  -5.210   7.832
  390    HA   PHE  54           HA       PHE  54  70.378  -2.405   7.107
  391    HB2  PHE  54           HB2      PHE  54  68.728  -4.925   7.203
  392    HB3  PHE  54           HB1      PHE  54  67.940  -3.353   7.286
  393    HD1  PHE  54           HD2      PHE  54  68.402  -1.657   5.466
  394    HD2  PHE  54           HD1      PHE  54  69.468  -5.804   5.109
  395    HE1  PHE  54           HE2      PHE  54  68.500  -1.424   3.006
  396    HE2  PHE  54           HE1      PHE  54  69.574  -5.563   2.641
  397    HZ   PHE  54           HZ       PHE  54  69.087  -3.371   1.587
  398    H    PHE  55           HN       PHE  55  69.053  -1.142   8.404
  399    HA   PHE  55           HA       PHE  55  68.461  -1.998  11.132
  400    HB2  PHE  55           HB2      PHE  55  70.258   0.367  10.517
  401    HB3  PHE  55           HB1      PHE  55  69.510   0.066  12.083
  402    HD1  PHE  55           HD2      PHE  55  69.947  -2.263  13.173
  403    HD2  PHE  55           HD1      PHE  55  72.338  -0.616  10.004
  404    HE1  PHE  55           HE2      PHE  55  71.802  -3.796  13.774
  405    HE2  PHE  55           HE1      PHE  55  74.192  -2.147  10.610
  406    HZ   PHE  55           HZ       PHE  55  73.926  -3.737  12.493
  407    H    GLU  56           HN       GLU  56  66.936  -0.584  12.164
  408    HA   GLU  56           HA       GLU  56  65.033   0.676  12.202
  409    HB2  GLU  56           HB2      GLU  56  66.559   2.277  10.136
  410    HB3  GLU  56           HB1      GLU  56  65.064   2.802  10.905
  411    HG2  GLU  56           HG2      GLU  56  67.602   2.088  12.403
  412    HG3  GLU  56           HG1      GLU  56  67.101   3.732  12.007
  413    H    ASN  57           HN       ASN  57  65.158  -1.626  10.423
  414    HA   ASN  57           HA       ASN  57  63.852  -2.706   8.889
  415    HB2  ASN  57           HB2      ASN  57  61.977  -0.371   9.278
  416    HB3  ASN  57           HB1      ASN  57  61.563  -1.960   8.642
  417   HD21  ASN  57          HD21      ASN  57  63.289  -3.418  10.601
  418   HD22  ASN  57          HD22      ASN  57  62.486  -3.301  12.093
  419    H    GLY  58           HN       GLY  58  65.782  -1.621   7.405
  420    HA2  GLY  58           HA2      GLY  58  66.170  -1.194   5.161
  421    HA3  GLY  58           HA1      GLY  58  64.438  -1.099   4.923
  422    H    LEU  59           HN       LEU  59  64.827   0.984   7.332
  423    HA   LEU  59           HA       LEU  59  64.631   3.288   5.640
  424    HB2  LEU  59           HB2      LEU  59  63.461   3.001   7.840
  425    HB3  LEU  59           HB1      LEU  59  65.024   3.150   8.626
  426    HG   LEU  59           HG       LEU  59  65.298   5.396   7.540
  427   HD11  LEU  59          HD11      LEU  59  62.944   6.376   6.853
  428   HD12  LEU  59          HD12      LEU  59  62.553   4.689   6.526
  429   HD13  LEU  59          HD13      LEU  59  63.889   5.467   5.679
  430   HD21  LEU  59          HD21      LEU  59  63.648   6.527   9.044
  431   HD22  LEU  59          HD22      LEU  59  64.555   5.247   9.848
  432   HD23  LEU  59          HD23      LEU  59  62.894   4.959   9.332
  433    H    ARG  60           HN       ARG  60  67.188   1.576   7.090
  434    HA   ARG  60           HA       ARG  60  69.117   3.681   6.309
  435    HB2  ARG  60           HB2      ARG  60  68.786   3.707   8.809
  436    HB3  ARG  60           HB1      ARG  60  69.375   2.045   8.847
  437    HG2  ARG  60           HG2      ARG  60  71.487   2.786   7.774
  438    HG3  ARG  60           HG1      ARG  60  70.904   4.450   7.810
  439    HD2  ARG  60           HD2      ARG  60  71.221   2.710  10.269
  440    HD3  ARG  60           HD1      ARG  60  72.418   3.882   9.729
  441    HE   ARG  60           HE       ARG  60  69.954   4.463  11.095
  442   HH11  ARG  60          HH21      ARG  60  72.308   5.607   8.827
  443   HH12  ARG  60          HH22      ARG  60  71.957   7.280   9.097
  444   HH21  ARG  60          HH11      ARG  60  69.479   6.658  11.441
  445   HH22  ARG  60          HH12      ARG  60  70.357   7.876  10.577
  446    H    HIS  61           HN       HIS  61  71.017   2.929   5.470
  447    HA   HIS  61           HA       HIS  61  71.306  -0.009   5.130
  448    HB2  HIS  61           HB2      HIS  61  72.133   1.975   3.011
  449    HB3  HIS  61           HB1      HIS  61  71.891   0.235   2.864
  450    HD1  HIS  61           HD1      HIS  61  69.565   2.908   4.280
  451    HD2  HIS  61           HD2      HIS  61  69.636   0.004   1.292
  452    HE1  HIS  61           HE1      HIS  61  67.259   2.898   3.235
  453    H    LEU  62           HN       LEU  62  73.003  -0.457   6.434
  454    HA   LEU  62           HA       LEU  62  75.368   1.329   6.338
  455    HB2  LEU  62           HB2      LEU  62  74.030   1.050   8.479
  456    HB3  LEU  62           HB1      LEU  62  74.561  -0.620   8.506
  457    HG   LEU  62           HG       LEU  62  76.552   1.649   8.308
  458   HD11  LEU  62          HD11      LEU  62  75.302   2.187  10.276
  459   HD12  LEU  62          HD12      LEU  62  76.751   1.350  10.837
  460   HD13  LEU  62          HD13      LEU  62  75.210   0.494  10.763
  461   HD21  LEU  62          HD21      LEU  62  76.650  -1.271   9.127
  462   HD22  LEU  62          HD22      LEU  62  77.911  -0.142   9.612
  463   HD23  LEU  62          HD23      LEU  62  77.613  -0.442   7.906
  464    H    LEU  63           HN       LEU  63  77.004   0.500   5.214
  465    HA   LEU  63           HA       LEU  63  77.315  -2.448   4.986
  466    HB2  LEU  63           HB2      LEU  63  77.007  -1.500   2.816
  467    HB3  LEU  63           HB1      LEU  63  78.083  -0.152   3.170
  468    HG   LEU  63           HG       LEU  63  80.015  -1.705   3.257
  469   HD11  LEU  63          HD11      LEU  63  79.181  -3.764   4.005
  470   HD12  LEU  63          HD12      LEU  63  79.460  -4.080   2.293
  471   HD13  LEU  63          HD13      LEU  63  77.832  -3.744   2.874
  472   HD21  LEU  63          HD21      LEU  63  79.811  -2.509   0.803
  473   HD22  LEU  63          HD22      LEU  63  79.739  -0.779   1.126
  474   HD23  LEU  63          HD23      LEU  63  78.254  -1.675   0.814
  475    H    LEU  64           HN       LEU  64  79.040  -3.329   6.130
  476    HA   LEU  64           HA       LEU  64  81.122  -1.476   7.027
  477    HB2  LEU  64           HB2      LEU  64  79.875  -2.854   8.686
  478    HB3  LEU  64           HB1      LEU  64  80.502  -4.304   7.906
  479    HG   LEU  64           HG       LEU  64  82.816  -3.542   8.379
  480   HD11  LEU  64          HD11      LEU  64  81.333  -1.162   9.463
  481   HD12  LEU  64          HD12      LEU  64  82.838  -1.219   8.546
  482   HD13  LEU  64          HD13      LEU  64  82.833  -1.651  10.250
  483   HD21  LEU  64          HD21      LEU  64  81.403  -4.961   9.973
  484   HD22  LEU  64          HD22      LEU  64  81.157  -3.486  10.908
  485   HD23  LEU  64          HD23      LEU  64  82.783  -4.133  10.697
  486    H    LEU  65           HN       LEU  65  83.084  -1.556   6.338
  487    HA   LEU  65           HA       LEU  65  84.057  -3.757   4.621
  488    HB2  LEU  65           HB2      LEU  65  84.915  -0.849   4.674
  489    HB3  LEU  65           HB1      LEU  65  85.581  -2.097   3.623
  490    HG   LEU  65           HG       LEU  65  82.681  -1.206   3.637
  491   HD11  LEU  65          HD11      LEU  65  83.973   0.587   2.742
  492   HD12  LEU  65          HD12      LEU  65  83.374  -0.299   1.340
  493   HD13  LEU  65          HD13      LEU  65  85.041  -0.515   1.875
  494   HD21  LEU  65          HD21      LEU  65  82.708  -3.435   2.821
  495   HD22  LEU  65          HD22      LEU  65  84.259  -3.211   2.011
  496   HD23  LEU  65          HD23      LEU  65  82.803  -2.458   1.360
  497    H    LYS  66           HN       LYS  66  86.595  -3.874   4.780
  498    HA   LYS  66           HA       LYS  66  87.650  -3.124   7.365
  499    HB2  LYS  66           HB2      LYS  66  86.220  -5.297   7.599
  500    HB3  LYS  66           HB1      LYS  66  87.573  -6.074   6.785
  501    HG2  LYS  66           HG2      LYS  66  89.102  -5.403   8.531
  502    HG3  LYS  66           HG1      LYS  66  87.873  -4.391   9.288
  503    HD2  LYS  66           HD2      LYS  66  88.014  -6.471  10.529
  504    HD3  LYS  66           HD1      LYS  66  86.483  -6.446   9.654
  505    HE2  LYS  66           HE2      LYS  66  87.253  -7.985   8.029
  506    HE3  LYS  66           HE1      LYS  66  88.945  -7.742   8.475
  507    HZ1  LYS  66           HZ1      LYS  66  87.880  -8.557  10.789
  508    HZ2  LYS  66           HZ2      LYS  66  88.616  -9.596   9.663
  509    HZ3  LYS  66           HZ3      LYS  66  86.926  -9.423   9.687
  510    H    ASN  67           HN       ASN  67  89.882  -4.034   7.653
  511    HA   ASN  67           HA       ASN  67  92.059  -3.801   6.808
  512    HB2  ASN  67           HB2      ASN  67  91.397  -6.238   6.842
  513    HB3  ASN  67           HB1      ASN  67  91.072  -6.099   5.116
  514   HD21  ASN  67          HD21      ASN  67  93.378  -7.293   7.048
  515   HD22  ASN  67          HD22      ASN  67  94.773  -6.918   6.156
  516    H    LEU  68           HN       LEU  68  90.641  -1.841   5.543
  517    HA   LEU  68           HA       LEU  68  90.621  -2.074   2.711
  518    HB2  LEU  68           HB2      LEU  68  90.521   0.304   4.569
  519    HB3  LEU  68           HB1      LEU  68  90.492   0.483   2.820
  520    HG   LEU  68           HG       LEU  68  88.518  -1.347   3.033
  521   HD11  LEU  68          HD11      LEU  68  88.853  -1.452   5.540
  522   HD12  LEU  68          HD12      LEU  68  87.210  -1.071   5.031
  523   HD13  LEU  68          HD13      LEU  68  88.269   0.210   5.619
  524   HD21  LEU  68          HD21      LEU  68  86.915   0.499   2.986
  525   HD22  LEU  68          HD22      LEU  68  88.341   0.935   2.048
  526   HD23  LEU  68          HD23      LEU  68  88.119   1.594   3.667
  527    H    ARG  69           HN       ARG  69  92.291  -2.292   1.458
  528    HA   ARG  69           HA       ARG  69  94.866  -1.000   2.125
  529    HB2  ARG  69           HB2      ARG  69  94.734  -2.872  -0.189
  530    HB3  ARG  69           HB1      ARG  69  95.919  -2.778   1.115
  531    HG2  ARG  69           HG2      ARG  69  94.201  -3.794   2.649
  532    HG3  ARG  69           HG1      ARG  69  93.172  -4.046   1.240
  533    HD2  ARG  69           HD2      ARG  69  94.949  -5.402   0.186
  534    HD3  ARG  69           HD1      ARG  69  95.970  -5.153   1.599
  535    HE   ARG  69           HE       ARG  69  94.464  -6.520   2.883
  536   HH11  ARG  69          HH11      ARG  69  91.964  -6.017   1.196
  537   HH12  ARG  69          HH12      ARG  69  91.740  -7.562   0.446
  538   HH21  ARG  69          HH21      ARG  69  94.941  -8.675   1.179
  539   HH22  ARG  69          HH22      ARG  69  93.426  -9.067   0.436
  540    HA   PRO  70           HA       PRO  70  94.508   1.782  -1.252
  541    HB2  PRO  70           HB2      PRO  70  96.626   0.935  -3.046
  542    HB3  PRO  70           HB1      PRO  70  96.646   2.274  -1.889
  543    HG2  PRO  70           HG2      PRO  70  98.096  -0.124  -1.686
  544    HG3  PRO  70           HG1      PRO  70  97.874   1.082  -0.411
  545    HD2  PRO  70           HD2      PRO  70  96.597  -1.563  -0.710
  546    HD3  PRO  70           HD1      PRO  70  96.756  -0.559   0.746
  547    H    GLN  71           HN       GLN  71  94.933  -1.509  -2.318
  548    HA   GLN  71           HA       GLN  71  94.062  -1.407  -4.941
  549    HB2  GLN  71           HB2      GLN  71  94.956  -3.421  -3.763
  550    HB3  GLN  71           HB1      GLN  71  93.395  -3.599  -2.966
  551    HG2  GLN  71           HG2      GLN  71  93.412  -5.047  -4.906
  552    HG3  GLN  71           HG1      GLN  71  92.319  -3.706  -5.248
  553   HE21  GLN  71          HE21      GLN  71  95.892  -4.243  -5.513
  554   HE22  GLN  71          HE22      GLN  71  96.005  -3.617  -7.087
  555    H    ASP  72           HN       ASP  72  91.990  -1.996  -2.054
  556    HA   ASP  72           HA       ASP  72  89.594  -2.321  -3.250
  557    HB2  ASP  72           HB2      ASP  72  88.581  -1.346  -1.197
  558    HB3  ASP  72           HB1      ASP  72  89.844  -2.532  -0.877
  559    H    SER  73           HN       SER  73  91.222   0.854  -2.912
  560    HA   SER  73           HA       SER  73  89.336   2.698  -3.150
  561    HB2  SER  73           HB2      SER  73  90.801   4.038  -4.423
  562    HB3  SER  73           HB1      SER  73  91.851   2.956  -3.513
  563    HG   SER  73           HG       SER  73  92.557   2.814  -5.572
  564    H    CYS  74           HN       CYS  74  87.394   2.309  -3.995
  565    HA   CYS  74           HA       CYS  74  87.148   2.308  -6.905
  566    HB2  CYS  74           HB2      CYS  74  86.002   0.072  -5.217
  567    HB3  CYS  74           HB1      CYS  74  85.557   0.388  -6.892
  568    HG   CYS  74           HG       CYS  74  88.577  -0.012  -6.393
  569    H    ARG  75           HN       ARG  75  84.680   2.257  -7.462
  570    HA   ARG  75           HA       ARG  75  83.494   4.397  -5.875
  571    HB2  ARG  75           HB2      ARG  75  82.239   3.137  -8.304
  572    HB3  ARG  75           HB1      ARG  75  82.000   4.754  -7.654
  573    HG2  ARG  75           HG2      ARG  75  84.316   3.674  -9.233
  574    HG3  ARG  75           HG1      ARG  75  83.366   5.129  -9.506
  575    HD2  ARG  75           HD2      ARG  75  84.369   5.996  -7.308
  576    HD3  ARG  75           HD1      ARG  75  85.519   4.670  -7.443
  577    HE   ARG  75           HE       ARG  75  85.488   7.074  -9.031
  578   HH11  ARG  75          HH11      ARG  75  85.378   4.377 -10.692
  579   HH12  ARG  75          HH12      ARG  75  87.054   4.231 -11.104
  580   HH21  ARG  75          HH21      ARG  75  88.101   6.608  -8.811
  581   HH22  ARG  75          HH22      ARG  75  88.594   5.492 -10.040
  582    H    VAL  76           HN       VAL  76  81.406   4.401  -5.072
  583    HA   VAL  76           HA       VAL  76  80.245   1.741  -4.483
  584    HB   VAL  76           HB       VAL  76  80.052   4.267  -2.821
  585   HG11  VAL  76          HG11      VAL  76  78.989   2.807  -1.167
  586   HG12  VAL  76          HG12      VAL  76  79.180   1.420  -2.236
  587   HG13  VAL  76          HG13      VAL  76  78.090   2.731  -2.681
  588   HG21  VAL  76          HG21      VAL  76  82.290   3.433  -2.606
  589   HG22  VAL  76          HG22      VAL  76  81.731   1.762  -2.544
  590   HG23  VAL  76          HG23      VAL  76  81.413   2.848  -1.193
  591    H    THR  77           HN       THR  77  78.372   1.430  -5.545
  592    HA   THR  77           HA       THR  77  76.709   3.814  -6.187
  593    HB   THR  77           HB       THR  77  77.047   1.335  -7.892
  594    HG1  THR  77           HG1      THR  77  78.358   2.552  -9.127
  595   HG21  THR  77          HG21      THR  77  74.872   2.296  -8.207
  596   HG22  THR  77          HG22      THR  77  75.865   2.844  -9.558
  597   HG23  THR  77          HG23      THR  77  75.528   3.933  -8.213
  598    H    PHE  78           HN       PHE  78  74.747   3.764  -5.412
  599    HA   PHE  78           HA       PHE  78  73.473   1.165  -4.761
  600    HB2  PHE  78           HB2      PHE  78  74.210   2.302  -2.709
  601    HB3  PHE  78           HB1      PHE  78  73.342   3.757  -3.195
  602    HD1  PHE  78           HD2      PHE  78  72.758   0.080  -2.710
  603    HD2  PHE  78           HD1      PHE  78  71.155   4.056  -2.414
  604    HE1  PHE  78           HE2      PHE  78  70.695  -0.826  -1.676
  605    HE2  PHE  78           HE1      PHE  78  69.096   3.147  -1.375
  606    HZ   PHE  78           HZ       PHE  78  68.865   0.707  -1.007
  607    H    LEU  79           HN       LEU  79  71.812   0.903  -6.113
  608    HA   LEU  79           HA       LEU  79  70.330   3.286  -7.052
  609    HB2  LEU  79           HB2      LEU  79  71.367   2.144  -8.875
  610    HB3  LEU  79           HB1      LEU  79  70.794   0.581  -8.304
  611    HG   LEU  79           HG       LEU  79  68.498   1.155  -8.824
  612   HD11  LEU  79          HD11      LEU  79  69.651   3.912  -9.273
  613   HD12  LEU  79          HD12      LEU  79  68.326   3.439  -8.207
  614   HD13  LEU  79          HD13      LEU  79  68.094   3.433  -9.953
  615   HD21  LEU  79          HD21      LEU  79  68.710   1.642 -11.274
  616   HD22  LEU  79          HD22      LEU  79  69.784   0.360 -10.714
  617   HD23  LEU  79          HD23      LEU  79  70.421   1.976 -11.011
  618    H    ALA  80           HN       ALA  80  68.835   3.444  -5.400
  619    HA   ALA  80           HA       ALA  80  66.964   1.172  -5.026
  620    HB1  ALA  80           HB1      ALA  80  67.809   3.480  -3.297
  621    HB2  ALA  80           HB2      ALA  80  67.705   1.766  -2.895
  622    HB3  ALA  80           HB3      ALA  80  66.236   2.727  -3.036
  623    H    GLY  81           HN       GLY  81  65.567   1.454  -6.748
  624    HA2  GLY  81           HA2      GLY  81  63.791   2.352  -7.916
  625    HA3  GLY  81           HA1      GLY  81  63.495   3.355  -6.495
  626    H    ASP  82           HN       ASP  82  62.912   5.009  -8.166
  627    HA   ASP  82           HA       ASP  82  64.649   6.078 -10.036
  628    HB2  ASP  82           HB2      ASP  82  62.500   7.401  -8.368
  629    HB3  ASP  82           HB1      ASP  82  63.273   8.151  -9.767
  630    H    MET  83           HN       MET  83  65.900   5.684  -7.214
  631    HA   MET  83           HA       MET  83  67.141   8.374  -7.050
  632    HB2  MET  83           HB2      MET  83  66.614   6.554  -4.701
  633    HB3  MET  83           HB1      MET  83  67.224   8.205  -4.669
  634    HG2  MET  83           HG2      MET  83  65.052   8.857  -4.388
  635    HG3  MET  83           HG1      MET  83  64.818   8.455  -6.085
  636    HE1  MET  83           HE1      MET  83  64.655   7.566  -2.510
  637    HE2  MET  83           HE2      MET  83  65.347   5.987  -2.826
  638    HE3  MET  83           HE3      MET  83  63.666   6.127  -2.341
  639    H    VAL  84           HN       VAL  84  69.329   8.434  -6.963
  640    HA   VAL  84           HA       VAL  84  70.812   5.911  -6.504
  641    HB   VAL  84           HB       VAL  84  70.739   6.108  -8.882
  642   HG11  VAL  84          HG11      VAL  84  71.566   9.001  -8.499
  643   HG12  VAL  84          HG12      VAL  84  69.967   8.447  -8.990
  644   HG13  VAL  84          HG13      VAL  84  71.352   8.194 -10.051
  645   HG21  VAL  84          HG21      VAL  84  73.049   6.240  -9.415
  646   HG22  VAL  84          HG22      VAL  84  73.019   5.770  -7.716
  647   HG23  VAL  84          HG23      VAL  84  73.355   7.443  -8.163
  648    H    THR  85           HN       THR  85  72.508   6.110  -5.185
  649    HA   THR  85           HA       THR  85  73.663   8.787  -4.630
  650    HB   THR  85           HB       THR  85  73.591   8.446  -2.317
  651    HG1  THR  85           HG1      THR  85  72.992   5.728  -2.491
  652   HG21  THR  85          HG21      THR  85  71.264   8.563  -3.182
  653   HG22  THR  85          HG22      THR  85  71.372   7.594  -1.714
  654   HG23  THR  85          HG23      THR  85  71.225   6.802  -3.281
  655    H    SER  86           HN       SER  86  75.857   8.803  -4.956
  656    HA   SER  86           HA       SER  86  77.402   6.362  -4.482
  657    HB2  SER  86           HB2      SER  86  76.714   6.096  -6.807
  658    HB3  SER  86           HB1      SER  86  77.308   7.709  -7.189
  659    HG   SER  86           HG       SER  86  78.819   6.046  -7.693
  660    H    ALA  87           HN       ALA  87  79.609   6.671  -4.196
  661    HA   ALA  87           HA       ALA  87  80.749   9.349  -4.471
  662    HB1  ALA  87           HB1      ALA  87  80.365   7.976  -1.803
  663    HB2  ALA  87           HB2      ALA  87  79.775   9.566  -2.286
  664    HB3  ALA  87           HB3      ALA  87  81.504   9.297  -2.060
  665    H    PHE  88           HN       PHE  88  83.074   9.343  -3.982
  666    HA   PHE  88           HA       PHE  88  84.305   6.948  -5.033
  667    HB2  PHE  88           HB2      PHE  88  85.542   9.548  -4.105
  668    HB3  PHE  88           HB1      PHE  88  86.357   8.280  -5.021
  669    HD1  PHE  88           HD2      PHE  88  83.688  10.843  -5.127
  670    HD2  PHE  88           HD1      PHE  88  85.957   7.972  -7.376
  671    HE1  PHE  88           HE2      PHE  88  82.809  11.800  -7.239
  672    HE2  PHE  88           HE1      PHE  88  85.078   8.927  -9.487
  673    HZ   PHE  88           HZ       PHE  88  83.504  10.842  -9.418
  674    H    LEU  89           HN       LEU  89  86.363   6.186  -4.090
  675    HA   LEU  89           HA       LEU  89  86.321   6.049  -1.129
  676    HB2  LEU  89           HB2      LEU  89  85.514   3.906  -2.043
  677    HB3  LEU  89           HB1      LEU  89  86.940   3.807  -3.072
  678    HG   LEU  89           HG       LEU  89  88.401   3.656  -1.134
  679   HD11  LEU  89          HD11      LEU  89  87.456   4.947   0.577
  680   HD12  LEU  89          HD12      LEU  89  87.136   3.312   1.148
  681   HD13  LEU  89          HD13      LEU  89  85.858   4.239   0.366
  682   HD21  LEU  89          HD21      LEU  89  87.432   1.513  -0.132
  683   HD22  LEU  89          HD22      LEU  89  87.585   1.542  -1.889
  684   HD23  LEU  89          HD23      LEU  89  86.010   1.800  -1.136
  685    H    THR  90           HN       THR  90  88.298   6.358  -0.178
  686    HA   THR  90           HA       THR  90  90.689   6.479  -1.929
  687    HB   THR  90           HB       THR  90  91.371   8.497  -0.515
  688    HG1  THR  90           HG1      THR  90  89.745   8.195   1.060
  689   HG21  THR  90          HG21      THR  90  90.011  10.053  -1.898
  690   HG22  THR  90          HG22      THR  90  88.983   8.700  -2.370
  691   HG23  THR  90          HG23      THR  90  90.680   8.726  -2.849
  692    H    VAL  91           HN       VAL  91  92.167   5.103  -1.184
  693    HA   VAL  91           HA       VAL  91  92.562   4.870   1.751
  694    HB   VAL  91           HB       VAL  91  92.506   2.527  -0.160
  695   HG11  VAL  91          HG11      VAL  91  92.584   1.266   2.041
  696   HG12  VAL  91          HG12      VAL  91  92.956   2.802   2.821
  697   HG13  VAL  91          HG13      VAL  91  94.062   2.130   1.624
  698   HG21  VAL  91          HG21      VAL  91  90.443   1.880   0.953
  699   HG22  VAL  91          HG22      VAL  91  90.250   3.512   0.324
  700   HG23  VAL  91          HG23      VAL  91  90.552   3.261   2.043
  701    H    ARG  92           HN       ARG  92  94.673   5.254   2.270
  702    HA   ARG  92           HA       ARG  92  96.717   4.907   0.159
  703    HB2  ARG  92           HB2      ARG  92  96.782   6.569   2.685
  704    HB3  ARG  92           HB1      ARG  92  98.043   6.516   1.457
  705    HG2  ARG  92           HG2      ARG  92  95.186   7.389   0.918
  706    HG3  ARG  92           HG1      ARG  92  96.512   8.502   1.254
  707    HD2  ARG  92           HD2      ARG  92  97.744   7.484  -0.697
  708    HD3  ARG  92           HD1      ARG  92  96.276   6.600  -1.087
  709    HE   ARG  92           HE       ARG  92  96.606   9.527  -1.247
  710   HH11  ARG  92          HH21      ARG  92  93.776   8.776  -0.589
  711   HH12  ARG  92          HH22      ARG  92  93.059   8.598  -2.155
  712   HH21  ARG  92          HH11      ARG  92  96.097   8.370  -3.812
  713   HH22  ARG  92          HH12      ARG  92  94.373   8.371  -3.979
  714    H    GLY  93           HN       GLY  93  98.571   3.812   0.445
  715    HA2  GLY  93           HA2      GLY  93  99.293   2.664   3.018
  716    HA3  GLY  93           HA1      GLY  93  98.775   1.503   1.797
  717    H    GLY  94           HN       GLY  94 101.467   2.510   3.152
  718    HA2  GLY  94           HA2      GLY  94 103.077   2.973   0.738
  719    HA3  GLY  94           HA1      GLY  94 103.644   3.048   2.405
  720    H    LEU  95           HN       LEU  95 103.283   1.083  -0.381
  721    HA   LEU  95           HA       LEU  95 104.144  -1.347   1.087
  722    HB2  LEU  95           HB2      LEU  95 102.882  -0.989  -1.641
  723    HB3  LEU  95           HB1      LEU  95 103.429  -2.534  -0.994
  724    HG   LEU  95           HG       LEU  95 101.412  -0.742   0.395
  725   HD11  LEU  95          HD11      LEU  95 100.612  -1.587  -1.824
  726   HD12  LEU  95          HD12      LEU  95  99.682  -2.211  -0.461
  727   HD13  LEU  95          HD13      LEU  95 100.884  -3.233  -1.249
  728   HD21  LEU  95          HD21      LEU  95 102.592  -3.459   0.950
  729   HD22  LEU  95          HD22      LEU  95 100.919  -3.160   1.412
  730   HD23  LEU  95          HD23      LEU  95 102.204  -2.155   2.071
  731    H    GLU  96           HN       GLU  96 105.174   1.077  -1.127
  732    HA   GLU  96           HA       GLU  96 107.337  -0.528  -2.253
  733    HB2  GLU  96           HB2      GLU  96 106.518   2.360  -2.590
  734    HB3  GLU  96           HB1      GLU  96 107.936   1.657  -3.369
  735    HG2  GLU  96           HG2      GLU  96 106.559   0.024  -4.520
  736    HG3  GLU  96           HG1      GLU  96 105.122   0.566  -3.655
  737    H    HIS  97           HN       HIS  97 109.196  -0.815  -1.237
  738    HA   HIS  97           HA       HIS  97 109.913   0.753   1.084
  739    HB2  HIS  97           HB2      HIS  97 111.268  -1.526  -0.365
  740    HB3  HIS  97           HB1      HIS  97 111.942  -0.752   1.068
  741    HD1  HIS  97           HD1      HIS  97 109.224  -3.055  -0.049
  742    HD2  HIS  97           HD2      HIS  97 110.459  -1.219   3.484
  743    HE1  HIS  97           HE1      HIS  97 107.964  -4.195   1.829
  744    H    HIS  98           HN       HIS  98 111.789  -0.095  -1.828
  745    HA   HIS  98           HA       HIS  98 112.577   2.659  -2.268
  746    HB2  HIS  98           HB2      HIS  98 114.089   1.851  -0.411
  747    HB3  HIS  98           HB1      HIS  98 114.722   0.656  -1.543
  748    HD1  HIS  98           HD1      HIS  98 116.046   1.561  -3.628
  749    HD2  HIS  98           HD2      HIS  98 114.975   4.493  -0.864
  750    HE1  HIS  98           HE1      HIS  98 117.388   3.626  -4.218
  751    H    HIS  99           HN       HIS  99 111.841   2.420  -4.364
  752    HA   HIS  99           HA       HIS  99 113.198   0.389  -6.052
  753    HB2  HIS  99           HB2      HIS  99 110.744   0.168  -5.928
  754    HB3  HIS  99           HB1      HIS  99 110.572   1.821  -6.518
  755    HD1  HIS  99           HD1      HIS  99 110.816   2.210  -9.010
  756    HD2  HIS  99           HD2      HIS  99 111.890  -1.659  -7.891
  757    HE1  HIS  99           HE1      HIS  99 111.146   0.910 -11.158
  758    H    HIS 100           HN       HIS 100 112.375   3.801  -5.708
  759    HA   HIS 100           HA       HIS 100 113.587   4.496  -8.267
  760    HB2  HIS 100           HB2      HIS 100 113.037   6.811  -7.644
  761    HB3  HIS 100           HB1      HIS 100 111.634   5.758  -7.498
  762    HD1  HIS 100           HD1      HIS 100 114.482   6.247  -5.010
  763    HD2  HIS 100           HD2      HIS 100 110.357   6.791  -5.269
  764    HE1  HIS 100           HE1      HIS 100 113.709   6.976  -2.710
  765    H    HIS 101           HN       HIS 101 115.218   6.340  -8.253
  766    HA   HIS 101           HA       HIS 101 117.172   6.073  -6.043
  767    HB2  HIS 101           HB2      HIS 101 117.812   5.983  -9.003
  768    HB3  HIS 101           HB1      HIS 101 118.984   5.940  -7.686
  769    HD1  HIS 101           HD1      HIS 101 118.868   3.805  -6.082
  770    HD2  HIS 101           HD2      HIS 101 116.619   3.521  -9.580
  771    HE1  HIS 101           HE1      HIS 101 118.269   1.359  -6.351
  772    H    HIS 102           HN       HIS 102 118.570   7.874  -5.787
  773    HA   HIS 102           HA       HIS 102 118.368  10.189  -7.463
  774    HB2  HIS 102           HB2      HIS 102 116.193  10.278  -6.215
  775    HB3  HIS 102           HB1      HIS 102 117.117  10.410  -4.719
  776    HD1  HIS 102           HD1      HIS 102 118.255  12.646  -4.210
  777    HD2  HIS 102           HD2      HIS 102 116.429  12.568  -7.957
  778    HE1  HIS 102           HE1      HIS 102 118.290  15.027  -5.074
  Start of MODEL   19
    1    H1   THR   1           HT1      THR   1  57.393  -1.154  -2.625
    2    H2   THR   1           HT2      THR   1  56.709   0.177  -1.820
    3    H3   THR   1           HT3      THR   1  58.357   0.186  -2.235
    4    HA   THR   1           HA       THR   1  57.903   1.111  -4.176
    5    HB   THR   1           HB       THR   1  56.535  -0.147  -5.819
    6    HG1  THR   1           HG1      THR   1  55.765  -1.438  -3.460
    7   HG21  THR   1          HG21      THR   1  58.324  -1.908  -4.121
    8   HG22  THR   1          HG22      THR   1  58.870  -0.828  -5.404
    9   HG23  THR   1          HG23      THR   1  57.861  -2.222  -5.793
   10    H    ALA   2           HN       ALA   2  56.925   2.799  -2.795
   11    HA   ALA   2           HA       ALA   2  54.239   3.417  -3.716
   12    HB1  ALA   2           HB1      ALA   2  54.756   3.398  -0.740
   13    HB2  ALA   2           HB2      ALA   2  54.024   2.028  -1.574
   14    HB3  ALA   2           HB3      ALA   2  53.217   3.596  -1.579
   15    H    LYS   3           HN       LYS   3  56.977   4.237  -1.659
   16    HA   LYS   3           HA       LYS   3  57.121   6.893  -2.799
   17    HB2  LYS   3           HB2      LYS   3  55.413   7.010  -0.877
   18    HB3  LYS   3           HB1      LYS   3  56.780   6.707   0.201
   19    HG2  LYS   3           HG2      LYS   3  57.946   8.672  -0.689
   20    HG3  LYS   3           HG1      LYS   3  56.630   8.963  -1.826
   21    HD2  LYS   3           HD2      LYS   3  55.071   9.282   0.064
   22    HD3  LYS   3           HD1      LYS   3  56.401   9.019   1.196
   23    HE2  LYS   3           HE2      LYS   3  57.600  10.953   0.240
   24    HE3  LYS   3           HE1      LYS   3  56.265  11.225  -0.880
   25    HZ1  LYS   3           HZ1      LYS   3  54.875  11.906   0.799
   26    HZ2  LYS   3           HZ2      LYS   3  56.365  12.523   1.334
   27    HZ3  LYS   3           HZ3      LYS   3  55.742  11.095   2.010
   28    H    ASN   4           HN       ASN   4  59.268   7.268  -3.075
   29    HA   ASN   4           HA       ASN   4  61.142   6.301  -1.019
   30    HB2  ASN   4           HB2      ASN   4  61.824   6.319  -3.948
   31    HB3  ASN   4           HB1      ASN   4  62.661   5.513  -2.620
   32   HD21  ASN   4          HD21      ASN   4  60.701   4.843  -5.218
   33   HD22  ASN   4          HD22      ASN   4  59.955   3.431  -4.642
   34    H    THR   5           HN       THR   5  62.198   8.065  -0.170
   35    HA   THR   5           HA       THR   5  62.889  10.245  -2.046
   36    HB   THR   5           HB       THR   5  61.380  10.568   0.560
   37    HG1  THR   5           HG1      THR   5  60.103  10.343  -1.258
   38   HG21  THR   5          HG21      THR   5  61.693  13.080  -0.069
   39   HG22  THR   5          HG22      THR   5  63.091  12.515  -0.983
   40   HG23  THR   5          HG23      THR   5  63.009  12.251   0.759
   41    H    VAL   6           HN       VAL   6  64.988  10.071  -2.009
   42    HA   VAL   6           HA       VAL   6  66.484   9.119   0.198
   43    HB   VAL   6           HB       VAL   6  67.201   9.020  -2.226
   44   HG11  VAL   6          HG11      VAL   6  66.635  11.529  -2.540
   45   HG12  VAL   6          HG12      VAL   6  68.106  10.925  -3.299
   46   HG13  VAL   6          HG13      VAL   6  68.203  11.837  -1.793
   47   HG21  VAL   6          HG21      VAL   6  69.586   9.336  -1.691
   48   HG22  VAL   6          HG22      VAL   6  68.750   8.571  -0.339
   49   HG23  VAL   6          HG23      VAL   6  69.149  10.285  -0.271
   50    H    VAL   7           HN       VAL   7  67.223  10.096   1.915
   51    HA   VAL   7           HA       VAL   7  66.916  13.003   2.195
   52    HB   VAL   7           HB       VAL   7  67.754  10.963   4.268
   53   HG11  VAL   7          HG11      VAL   7  68.340  13.297   4.774
   54   HG12  VAL   7          HG12      VAL   7  67.044  12.745   5.834
   55   HG13  VAL   7          HG13      VAL   7  66.676  13.793   4.462
   56   HG21  VAL   7          HG21      VAL   7  65.000  12.091   3.655
   57   HG22  VAL   7          HG22      VAL   7  65.398  11.039   5.013
   58   HG23  VAL   7          HG23      VAL   7  65.514  10.428   3.362
   59    H    ARG   8           HN       ARG   8  69.288  10.423   2.188
   60    HA   ARG   8           HA       ARG   8  71.421  12.367   1.711
   61    HB2  ARG   8           HB2      ARG   8  71.732  12.220   4.022
   62    HB3  ARG   8           HB1      ARG   8  71.265  10.524   4.077
   63    HG2  ARG   8           HG2      ARG   8  73.340   9.818   3.103
   64    HG3  ARG   8           HG1      ARG   8  73.778  11.468   2.656
   65    HD2  ARG   8           HD2      ARG   8  74.994  10.788   4.677
   66    HD3  ARG   8           HD1      ARG   8  73.838  12.056   5.080
   67    HE   ARG   8           HE       ARG   8  72.738   9.424   5.425
   68   HH11  ARG   8          HH11      ARG   8  72.088  11.674   7.245
   69   HH12  ARG   8          HH12      ARG   8  72.964  11.279   8.687
   70   HH21  ARG   8          HH21      ARG   8  75.027   8.977   7.113
   71   HH22  ARG   8          HH22      ARG   8  74.627   9.748   8.612
   72    H    GLY   9           HN       GLY   9  72.785  11.712   0.235
   73    HA2  GLY   9           HA2      GLY   9  72.620   8.982  -0.787
   74    HA3  GLY   9           HA1      GLY   9  73.382  10.367  -1.576
   75    H    LEU  10           HN       LEU  10  75.145   8.646  -1.795
   76    HA   LEU  10           HA       LEU  10  76.655   8.018   0.578
   77    HB2  LEU  10           HB2      LEU  10  77.271   7.711  -2.371
   78    HB3  LEU  10           HB1      LEU  10  78.297   7.099  -1.073
   79    HG   LEU  10           HG       LEU  10  75.364   6.369  -1.161
   80   HD11  LEU  10          HD11      LEU  10  76.158   5.736  -3.358
   81   HD12  LEU  10          HD12      LEU  10  76.073   4.275  -2.378
   82   HD13  LEU  10          HD13      LEU  10  77.632   5.043  -2.684
   83   HD21  LEU  10          HD21      LEU  10  76.285   4.292  -0.061
   84   HD22  LEU  10          HD22      LEU  10  76.555   5.760   0.871
   85   HD23  LEU  10          HD23      LEU  10  77.874   5.053  -0.061
   86    H    GLU  11           HN       GLU  11  78.898   8.740   0.916
   87    HA   GLU  11           HA       GLU  11  79.524  11.341  -0.329
   88    HB2  GLU  11           HB2      GLU  11  80.210  12.165   1.943
   89    HB3  GLU  11           HB1      GLU  11  78.471  11.953   1.746
   90    HG2  GLU  11           HG2      GLU  11  80.273   9.843   2.960
   91    HG3  GLU  11           HG1      GLU  11  79.419  11.050   3.918
   92    H    ASN  12           HN       ASN  12  81.790  11.984   0.104
   93    HA   ASN  12           HA       ASN  12  83.555   9.917  -0.604
   94    HB2  ASN  12           HB2      ASN  12  85.356  11.544  -0.162
   95    HB3  ASN  12           HB1      ASN  12  84.048  12.248  -1.108
   96   HD21  ASN  12          HD21      ASN  12  84.211  14.430  -0.398
   97   HD22  ASN  12          HD22      ASN  12  84.011  14.898   1.220
   98    H    VAL  13           HN       VAL  13  85.075   8.758   0.527
   99    HA   VAL  13           HA       VAL  13  85.002   8.893   3.486
  100    HB   VAL  13           HB       VAL  13  84.670   6.425   1.770
  101   HG11  VAL  13          HG11      VAL  13  85.383   6.720   4.695
  102   HG12  VAL  13          HG12      VAL  13  86.221   5.774   3.465
  103   HG13  VAL  13          HG13      VAL  13  84.638   5.257   4.049
  104   HG21  VAL  13          HG21      VAL  13  83.015   7.710   3.961
  105   HG22  VAL  13          HG22      VAL  13  82.652   6.149   3.227
  106   HG23  VAL  13          HG23      VAL  13  82.598   7.618   2.251
  107    H    GLU  14           HN       GLU  14  86.975   8.808   4.404
  108    HA   GLU  14           HA       GLU  14  89.266   7.837   2.794
  109    HB2  GLU  14           HB2      GLU  14  89.194  10.303   2.683
  110    HB3  GLU  14           HB1      GLU  14  89.212  10.377   4.444
  111    HG2  GLU  14           HG2      GLU  14  91.394   9.285   4.509
  112    HG3  GLU  14           HG1      GLU  14  91.370   9.071   2.760
  113    H    ALA  15           HN       ALA  15  90.368   6.331   3.842
  114    HA   ALA  15           HA       ALA  15  90.730   6.519   6.749
  115    HB1  ALA  15           HB1      ALA  15  90.076   4.175   7.085
  116    HB2  ALA  15           HB2      ALA  15  89.622   4.050   5.386
  117    HB3  ALA  15           HB3      ALA  15  88.724   5.120   6.462
  118    H    LEU  16           HN       LEU  16  92.594   5.571   7.490
  119    HA   LEU  16           HA       LEU  16  94.732   5.279   5.650
  120    HB2  LEU  16           HB2      LEU  16  94.406   4.803   8.605
  121    HB3  LEU  16           HB1      LEU  16  95.909   4.379   7.790
  122    HG   LEU  16           HG       LEU  16  96.136   6.698   6.984
  123   HD11  LEU  16          HD11      LEU  16  93.513   7.052   8.454
  124   HD12  LEU  16          HD12      LEU  16  93.871   7.430   6.769
  125   HD13  LEU  16          HD13      LEU  16  94.568   8.409   8.059
  126   HD21  LEU  16          HD21      LEU  16  96.544   7.753   9.191
  127   HD22  LEU  16          HD22      LEU  16  97.120   6.087   9.156
  128   HD23  LEU  16          HD23      LEU  16  95.603   6.477   9.965
  129    H    GLU  17           HN       GLU  17  96.061   3.418   5.285
  130    HA   GLU  17           HA       GLU  17  94.751   1.152   4.382
  131    HB2  GLU  17           HB2      GLU  17  97.006   1.640   3.677
  132    HB3  GLU  17           HB1      GLU  17  97.609   1.449   5.323
  133    HG2  GLU  17           HG2      GLU  17  98.077  -0.547   3.940
  134    HG3  GLU  17           HG1      GLU  17  97.016  -0.943   5.283
  135    H    GLY  18           HN       GLY  18  94.354  -0.874   5.130
  136    HA2  GLY  18           HA2      GLY  18  93.944  -2.583   6.594
  137    HA3  GLY  18           HA1      GLY  18  95.157  -1.876   7.665
  138    H    GLY  19           HN       GLY  19  92.480   0.022   6.554
  139    HA2  GLY  19           HA2      GLY  19  91.323  -0.002   9.286
  140    HA3  GLY  19           HA1      GLY  19  91.258   1.362   8.172
  141    H    GLU  20           HN       GLU  20  88.931   1.177   8.748
  142    HA   GLU  20           HA       GLU  20  87.542  -0.702   6.916
  143    HB2  GLU  20           HB2      GLU  20  85.610  -0.480   8.578
  144    HB3  GLU  20           HB1      GLU  20  86.977  -1.468   9.093
  145    HG2  GLU  20           HG2      GLU  20  87.019   1.463   9.771
  146    HG3  GLU  20           HG1      GLU  20  85.945   0.416  10.691
  147    H    ALA  21           HN       ALA  21  85.219   0.196   6.505
  148    HA   ALA  21           HA       ALA  21  85.192   3.146   6.377
  149    HB1  ALA  21           HB1      ALA  21  84.374   2.939   3.955
  150    HB2  ALA  21           HB2      ALA  21  85.053   1.319   3.996
  151    HB3  ALA  21           HB3      ALA  21  86.098   2.708   4.238
  152    H    LEU  22           HN       LEU  22  83.184   4.048   6.459
  153    HA   LEU  22           HA       LEU  22  80.873   2.194   6.545
  154    HB2  LEU  22           HB2      LEU  22  81.230   4.588   8.347
  155    HB3  LEU  22           HB1      LEU  22  80.014   3.323   8.461
  156    HG   LEU  22           HG       LEU  22  82.973   2.758   8.751
  157   HD11  LEU  22          HD11      LEU  22  82.416   2.655  11.219
  158   HD12  LEU  22          HD12      LEU  22  80.886   3.444  10.837
  159   HD13  LEU  22          HD13      LEU  22  82.409   4.280  10.535
  160   HD21  LEU  22          HD21      LEU  22  81.569   0.821   8.220
  161   HD22  LEU  22          HD22      LEU  22  80.450   1.257   9.511
  162   HD23  LEU  22          HD23      LEU  22  82.087   0.734   9.901
  163    H    PHE  23           HN       PHE  23  79.404   2.692   5.047
  164    HA   PHE  23           HA       PHE  23  79.108   5.534   4.228
  165    HB2  PHE  23           HB2      PHE  23  78.567   2.932   2.787
  166    HB3  PHE  23           HB1      PHE  23  78.005   4.492   2.198
  167    HD1  PHE  23           HD1      PHE  23  80.957   2.387   2.854
  168    HD2  PHE  23           HD2      PHE  23  79.549   6.142   1.321
  169    HE1  PHE  23           HE1      PHE  23  83.163   2.781   1.791
  170    HE2  PHE  23           HE2      PHE  23  81.753   6.536   0.263
  171    HZ   PHE  23           HZ       PHE  23  83.551   4.855   0.490
  172    H    GLU  24           HN       GLU  24  77.465   6.314   5.530
  173    HA   GLU  24           HA       GLU  24  75.059   4.643   5.927
  174    HB2  GLU  24           HB2      GLU  24  76.021   7.168   7.283
  175    HB3  GLU  24           HB1      GLU  24  74.472   6.399   7.620
  176    HG2  GLU  24           HG2      GLU  24  75.846   5.484   9.276
  177    HG3  GLU  24           HG1      GLU  24  75.903   4.245   8.027
  178    H    CYS  25           HN       CYS  25  73.377   4.925   4.674
  179    HA   CYS  25           HA       CYS  25  72.749   7.625   3.615
  180    HB2  CYS  25           HB2      CYS  25  72.708   4.927   2.295
  181    HB3  CYS  25           HB1      CYS  25  71.576   6.172   1.762
  182    HG   CYS  25           HG       CYS  25  74.506   7.102   1.900
  183    H    GLN  26           HN       GLN  26  70.603   8.260   3.737
  184    HA   GLN  26           HA       GLN  26  68.735   6.419   5.141
  185    HB2  GLN  26           HB2      GLN  26  69.220   9.371   5.570
  186    HB3  GLN  26           HB1      GLN  26  67.805   8.522   6.195
  187    HG2  GLN  26           HG2      GLN  26  69.217   7.005   7.464
  188    HG3  GLN  26           HG1      GLN  26  70.669   7.711   6.760
  189   HE21  GLN  26          HE21      GLN  26  71.651   8.870   8.427
  190   HE22  GLN  26          HE22      GLN  26  70.848   9.964   9.445
  191    H    LEU  27           HN       LEU  27  67.030   5.966   3.968
  192    HA   LEU  27           HA       LEU  27  65.928   8.010   2.138
  193    HB2  LEU  27           HB2      LEU  27  65.245   5.888   0.727
  194    HB3  LEU  27           HB1      LEU  27  66.841   6.599   0.536
  195    HG   LEU  27           HG       LEU  27  66.858   4.108   0.722
  196   HD11  LEU  27          HD11      LEU  27  68.675   5.864   1.779
  197   HD12  LEU  27          HD12      LEU  27  68.900   4.120   1.710
  198   HD13  LEU  27          HD13      LEU  27  68.316   4.868   3.190
  199   HD21  LEU  27          HD21      LEU  27  64.935   4.201   2.478
  200   HD22  LEU  27          HD22      LEU  27  66.237   4.397   3.649
  201   HD23  LEU  27          HD23      LEU  27  66.173   2.960   2.633
  202    H    SER  28           HN       SER  28  63.650   7.865   1.777
  203    HA   SER  28           HA       SER  28  62.241   6.732   4.085
  204    HB2  SER  28           HB2      SER  28  62.009   9.180   3.458
  205    HB3  SER  28           HB1      SER  28  61.118   8.638   2.038
  206    HG   SER  28           HG       SER  28  59.494   8.033   3.276
  207    H    GLN  29           HN       GLN  29  61.691   4.661   3.650
  208    HA   GLN  29           HA       GLN  29  59.556   4.015   1.991
  209    HB2  GLN  29           HB2      GLN  29  60.930   2.485   0.398
  210    HB3  GLN  29           HB1      GLN  29  60.832   4.206   0.032
  211    HG2  GLN  29           HG2      GLN  29  63.023   4.619   0.866
  212    HG3  GLN  29           HG1      GLN  29  63.093   3.061   1.675
  213   HE21  GLN  29          HE21      GLN  29  62.115   1.427  -0.508
  214   HE22  GLN  29          HE22      GLN  29  63.287   1.464  -1.734
  215    HA   PRO  30           HA       PRO  30  60.665   0.902   5.190
  216    HB2  PRO  30           HB2      PRO  30  57.879   0.139   5.418
  217    HB3  PRO  30           HB1      PRO  30  58.875   1.010   6.595
  218    HG2  PRO  30           HG2      PRO  30  56.757   2.072   5.067
  219    HG3  PRO  30           HG1      PRO  30  57.909   2.977   6.058
  220    HD2  PRO  30           HD2      PRO  30  57.784   2.739   3.118
  221    HD3  PRO  30           HD1      PRO  30  58.653   3.926   4.114
  222    H    GLU  31           HN       GLU  31  59.256   0.729   2.132
  223    HA   GLU  31           HA       GLU  31  59.299  -2.231   2.057
  224    HB2  GLU  31           HB2      GLU  31  57.218  -1.094   1.299
  225    HB3  GLU  31           HB1      GLU  31  58.152  -0.258   0.059
  226    HG2  GLU  31           HG2      GLU  31  58.720  -2.344  -1.017
  227    HG3  GLU  31           HG1      GLU  31  58.021  -3.276   0.306
  228    H    VAL  32           HN       VAL  32  60.241  -3.179   0.066
  229    HA   VAL  32           HA       VAL  32  61.737  -2.137  -1.887
  230    HB   VAL  32           HB       VAL  32  63.135  -0.807  -0.411
  231   HG11  VAL  32          HG11      VAL  32  64.205  -1.602   1.521
  232   HG12  VAL  32          HG12      VAL  32  64.118  -3.285   1.006
  233   HG13  VAL  32          HG13      VAL  32  62.672  -2.465   1.586
  234   HG21  VAL  32          HG21      VAL  32  65.265  -1.528  -1.122
  235   HG22  VAL  32          HG22      VAL  32  64.152  -2.146  -2.344
  236   HG23  VAL  32          HG23      VAL  32  64.785  -3.223  -1.101
  237    H    ALA  33           HN       ALA  33  61.625  -3.992  -3.038
  238    HA   ALA  33           HA       ALA  33  62.358  -6.539  -1.747
  239    HB1  ALA  33           HB1      ALA  33  60.228  -6.587  -2.846
  240    HB2  ALA  33           HB2      ALA  33  61.351  -7.510  -3.844
  241    HB3  ALA  33           HB3      ALA  33  60.903  -5.870  -4.309
  242    H    ALA  34           HN       ALA  34  63.099  -4.591  -4.637
  243    HA   ALA  34           HA       ALA  34  65.629  -6.134  -4.933
  244    HB1  ALA  34           HB1      ALA  34  65.409  -5.659  -7.392
  245    HB2  ALA  34           HB2      ALA  34  63.777  -5.071  -7.074
  246    HB3  ALA  34           HB3      ALA  34  64.185  -6.756  -6.750
  247    H    HIS  35           HN       HIS  35  67.448  -5.049  -5.321
  248    HA   HIS  35           HA       HIS  35  67.481  -2.214  -5.956
  249    HB2  HIS  35           HB2      HIS  35  69.155  -2.136  -3.773
  250    HB3  HIS  35           HB1      HIS  35  67.466  -1.631  -3.733
  251    HD1  HIS  35           HD1      HIS  35  65.711  -3.583  -3.053
  252    HD2  HIS  35           HD2      HIS  35  69.705  -4.303  -2.104
  253    HE1  HIS  35           HE1      HIS  35  65.708  -5.450  -1.345
  254    H    THR  36           HN       THR  36  69.718  -1.466  -6.384
  255    HA   THR  36           HA       THR  36  71.489  -3.731  -7.157
  256    HB   THR  36           HB       THR  36  71.322  -0.993  -8.423
  257    HG1  THR  36           HG1      THR  36  69.470  -2.289  -8.796
  258   HG21  THR  36          HG21      THR  36  72.665  -2.167 -10.201
  259   HG22  THR  36          HG22      THR  36  72.814  -3.537  -9.099
  260   HG23  THR  36          HG23      THR  36  73.515  -1.978  -8.665
  261    H    TRP  37           HN       TRP  37  72.671  -3.781  -5.237
  262    HA   TRP  37           HA       TRP  37  74.191  -1.364  -4.471
  263    HB2  TRP  37           HB2      TRP  37  73.303  -3.881  -3.130
  264    HB3  TRP  37           HB1      TRP  37  74.876  -3.284  -2.645
  265    HD1  TRP  37           HD1      TRP  37  71.173  -2.441  -2.504
  266    HE1  TRP  37           HE1      TRP  37  70.826  -0.557  -0.778
  267    HE3  TRP  37           HE3      TRP  37  76.036  -1.222  -1.535
  268    HZ2  TRP  37           HZ2      TRP  37  72.398   1.230   0.802
  269    HZ3  TRP  37           HZ3      TRP  37  76.583   0.573   0.086
  270    HH2  TRP  37           HH2      TRP  37  74.772   1.799   1.255
  271    H    LEU  38           HN       LEU  38  75.725  -1.385  -6.243
  272    HA   LEU  38           HA       LEU  38  77.662  -3.640  -6.111
  273    HB2  LEU  38           HB2      LEU  38  76.772  -2.153  -8.588
  274    HB3  LEU  38           HB1      LEU  38  78.000  -3.413  -8.528
  275    HG   LEU  38           HG       LEU  38  75.100  -3.788  -7.711
  276   HD11  LEU  38          HD11      LEU  38  76.557  -4.748 -10.196
  277   HD12  LEU  38          HD12      LEU  38  75.457  -3.370 -10.160
  278   HD13  LEU  38          HD13      LEU  38  74.852  -4.989  -9.818
  279   HD21  LEU  38          HD21      LEU  38  75.913  -6.271  -8.050
  280   HD22  LEU  38          HD22      LEU  38  76.318  -5.450  -6.553
  281   HD23  LEU  38          HD23      LEU  38  77.524  -5.595  -7.827
  282    H    LEU  39           HN       LEU  39  79.524  -3.004  -5.424
  283    HA   LEU  39           HA       LEU  39  80.478  -0.245  -5.875
  284    HB2  LEU  39           HB2      LEU  39  82.379  -1.452  -4.270
  285    HB3  LEU  39           HB1      LEU  39  80.998  -0.576  -3.645
  286    HG   LEU  39           HG       LEU  39  79.713  -2.750  -3.651
  287   HD11  LEU  39          HD11      LEU  39  82.489  -3.895  -4.102
  288   HD12  LEU  39          HD12      LEU  39  81.165  -3.946  -5.266
  289   HD13  LEU  39          HD13      LEU  39  81.039  -4.830  -3.750
  290   HD21  LEU  39          HD21      LEU  39  81.152  -3.684  -1.661
  291   HD22  LEU  39          HD22      LEU  39  80.409  -2.093  -1.526
  292   HD23  LEU  39          HD23      LEU  39  82.122  -2.232  -1.921
  293    H    ASP  40           HN       ASP  40  82.887  -2.654  -5.383
  294    HA   ASP  40           HA       ASP  40  83.958  -2.326  -7.983
  295    HB2  ASP  40           HB2      ASP  40  84.395  -4.485  -5.878
  296    HB3  ASP  40           HB1      ASP  40  85.274  -4.431  -7.404
  297    H    ASP  41           HN       ASP  41  84.010  -4.258  -9.512
  298    HA   ASP  41           HA       ASP  41  81.376  -4.904 -10.232
  299    HB2  ASP  41           HB2      ASP  41  82.411  -6.326 -11.958
  300    HB3  ASP  41           HB1      ASP  41  83.185  -4.743 -11.867
  301    H    GLU  42           HN       GLU  42  81.968  -5.861  -7.499
  302    HA   GLU  42           HA       GLU  42  81.296  -8.720  -7.916
  303    HB2  GLU  42           HB2      GLU  42  83.176  -7.514  -5.880
  304    HB3  GLU  42           HB1      GLU  42  82.453  -9.111  -5.659
  305    HG2  GLU  42           HG2      GLU  42  83.471  -9.931  -7.680
  306    HG3  GLU  42           HG1      GLU  42  83.996  -8.314  -8.144
  307    HA   PRO  43           HA       PRO  43  77.677  -7.466  -5.622
  308    HB2  PRO  43           HB2      PRO  43  77.358 -10.031  -4.289
  309    HB3  PRO  43           HB1      PRO  43  76.399  -9.360  -5.615
  310    HG2  PRO  43           HG2      PRO  43  78.330 -11.462  -5.735
  311    HG3  PRO  43           HG1      PRO  43  77.393 -10.769  -7.063
  312    HD2  PRO  43           HD2      PRO  43  80.215 -10.457  -6.560
  313    HD3  PRO  43           HD1      PRO  43  79.258  -9.747  -7.875
  314    H    VAL  44           HN       VAL  44  77.466  -6.457  -3.642
  315    HA   VAL  44           HA       VAL  44  79.679  -6.838  -1.782
  316    HB   VAL  44           HB       VAL  44  79.152  -4.597  -2.435
  317   HG11  VAL  44          HG11      VAL  44  76.622  -5.171  -2.722
  318   HG12  VAL  44          HG12      VAL  44  77.092  -3.548  -2.220
  319   HG13  VAL  44          HG13      VAL  44  76.503  -4.698  -1.026
  320   HG21  VAL  44          HG21      VAL  44  79.927  -5.141  -0.082
  321   HG22  VAL  44          HG22      VAL  44  78.253  -4.940   0.420
  322   HG23  VAL  44          HG23      VAL  44  79.124  -3.582  -0.269
  323    H    ARG  45           HN       ARG  45  79.154  -8.819  -0.994
  324    HA   ARG  45           HA       ARG  45  77.497  -8.716   1.386
  325    HB2  ARG  45           HB2      ARG  45  75.965  -9.719  -0.309
  326    HB3  ARG  45           HB1      ARG  45  77.164 -10.980  -0.608
  327    HG2  ARG  45           HG2      ARG  45  77.032 -11.747   1.680
  328    HG3  ARG  45           HG1      ARG  45  76.014 -10.379   2.128
  329    HD2  ARG  45           HD2      ARG  45  74.624 -12.346   1.841
  330    HD3  ARG  45           HD1      ARG  45  74.278 -11.193   0.557
  331    HE   ARG  45           HE       ARG  45  76.279 -13.001  -0.316
  332   HH11  ARG  45          HH11      ARG  45  73.019 -13.123   0.785
  333   HH12  ARG  45          HH12      ARG  45  72.501 -14.261  -0.415
  334   HH21  ARG  45          HH21      ARG  45  75.565 -14.351  -2.032
  335   HH22  ARG  45          HH22      ARG  45  73.942 -14.951  -2.013
  336    H    THR  46           HN       THR  46  78.849 -11.487  -0.309
  337    HA   THR  46           HA       THR  46  80.611 -12.873   0.172
  338    HB   THR  46           HB       THR  46  82.669 -11.805   0.329
  339    HG1  THR  46           HG1      THR  46  81.648  -9.590   1.708
  340   HG21  THR  46          HG21      THR  46  81.137  -9.287  -0.220
  341   HG22  THR  46          HG22      THR  46  80.960 -10.648  -1.327
  342   HG23  THR  46          HG23      THR  46  82.548  -9.936  -1.050
  343    H    SER  47           HN       SER  47  82.319 -11.777   2.711
  344    HA   SER  47           HA       SER  47  80.602 -13.059   4.767
  345    HB2  SER  47           HB2      SER  47  82.251 -14.688   3.855
  346    HB3  SER  47           HB1      SER  47  83.550 -13.611   4.359
  347    HG   SER  47           HG       SER  47  81.736 -15.106   5.901
  348    H    GLU  48           HN       GLU  48  83.016 -12.945   6.597
  349    HA   GLU  48           HA       GLU  48  82.380 -10.557   7.895
  350    HB2  GLU  48           HB2      GLU  48  83.537 -12.475   8.966
  351    HB3  GLU  48           HB1      GLU  48  85.002 -12.055   8.081
  352    HG2  GLU  48           HG2      GLU  48  85.001  -9.819   9.148
  353    HG3  GLU  48           HG1      GLU  48  83.545 -10.255  10.039
  354    H    ASN  49           HN       ASN  49  85.035 -11.223   5.625
  355    HA   ASN  49           HA       ASN  49  86.341  -8.733   5.899
  356    HB2  ASN  49           HB2      ASN  49  86.251 -10.623   3.542
  357    HB3  ASN  49           HB1      ASN  49  87.346  -9.248   3.683
  358   HD21  ASN  49          HD21      ASN  49  88.358 -11.914   3.501
  359   HD22  ASN  49          HD22      ASN  49  89.072 -12.320   4.985
  360    H    ALA  50           HN       ALA  50  83.262  -9.091   5.020
  361    HA   ALA  50           HA       ALA  50  82.797  -6.528   4.106
  362    HB1  ALA  50           HB1      ALA  50  83.548  -8.448   1.924
  363    HB2  ALA  50           HB2      ALA  50  83.909  -6.728   2.066
  364    HB3  ALA  50           HB3      ALA  50  82.293  -7.251   1.597
  365    H    GLU  51           HN       GLU  51  80.617  -6.229   4.301
  366    HA   GLU  51           HA       GLU  51  78.628  -8.005   3.396
  367    HB2  GLU  51           HB2      GLU  51  79.438  -9.497   5.192
  368    HB3  GLU  51           HB1      GLU  51  79.196  -8.213   6.370
  369    HG2  GLU  51           HG2      GLU  51  76.794  -8.206   5.921
  370    HG3  GLU  51           HG1      GLU  51  77.004  -9.401   4.644
  371    H    VAL  52           HN       VAL  52  76.544  -6.989   3.511
  372    HA   VAL  52           HA       VAL  52  76.606  -4.303   4.632
  373    HB   VAL  52           HB       VAL  52  74.371  -5.606   3.066
  374   HG11  VAL  52          HG11      VAL  52  74.016  -3.427   4.257
  375   HG12  VAL  52          HG12      VAL  52  73.810  -3.320   2.509
  376   HG13  VAL  52          HG13      VAL  52  75.292  -2.727   3.259
  377   HG21  VAL  52          HG21      VAL  52  76.512  -3.948   1.736
  378   HG22  VAL  52          HG22      VAL  52  75.362  -5.066   1.013
  379   HG23  VAL  52          HG23      VAL  52  76.732  -5.685   1.922
  380    H    VAL  53           HN       VAL  53  75.158  -3.576   6.120
  381    HA   VAL  53           HA       VAL  53  73.217  -5.433   7.312
  382    HB   VAL  53           HB       VAL  53  73.939  -4.731   9.593
  383   HG11  VAL  53          HG11      VAL  53  74.696  -6.869   8.569
  384   HG12  VAL  53          HG12      VAL  53  75.893  -6.206   9.682
  385   HG13  VAL  53          HG13      VAL  53  76.120  -6.042   7.940
  386   HG21  VAL  53          HG21      VAL  53  76.216  -3.484   8.022
  387   HG22  VAL  53          HG22      VAL  53  76.272  -3.772   9.762
  388   HG23  VAL  53          HG23      VAL  53  75.083  -2.658   9.091
  389    H    PHE  54           HN       PHE  54  71.369  -4.376   8.050
  390    HA   PHE  54           HA       PHE  54  71.378  -1.451   8.178
  391    HB2  PHE  54           HB2      PHE  54  69.600  -1.148   6.573
  392    HB3  PHE  54           HB1      PHE  54  70.931  -1.997   5.789
  393    HD1  PHE  54           HD2      PHE  54  67.546  -2.403   7.262
  394    HD2  PHE  54           HD1      PHE  54  70.699  -4.241   4.994
  395    HE1  PHE  54           HE2      PHE  54  66.009  -4.241   6.615
  396    HE2  PHE  54           HE1      PHE  54  69.162  -6.076   4.344
  397    HZ   PHE  54           HZ       PHE  54  66.814  -6.072   5.149
  398    H    PHE  55           HN       PHE  55  69.739  -0.578   9.359
  399    HA   PHE  55           HA       PHE  55  67.962  -2.489  10.772
  400    HB2  PHE  55           HB2      PHE  55  69.050   0.107  11.881
  401    HB3  PHE  55           HB1      PHE  55  68.229  -1.185  12.756
  402    HD1  PHE  55           HD1      PHE  55  69.346  -3.536  12.713
  403    HD2  PHE  55           HD2      PHE  55  71.405   0.102  11.723
  404    HE1  PHE  55           HE1      PHE  55  71.521  -4.658  13.104
  405    HE2  PHE  55           HE2      PHE  55  73.581  -1.021  12.117
  406    HZ   PHE  55           HZ       PHE  55  73.639  -3.403  12.805
  407    H    GLU  56           HN       GLU  56  66.153  -1.144  11.889
  408    HA   GLU  56           HA       GLU  56  64.209   0.024  11.644
  409    HB2  GLU  56           HB2      GLU  56  66.029   1.853  10.067
  410    HB3  GLU  56           HB1      GLU  56  64.355   2.231  10.465
  411    HG2  GLU  56           HG2      GLU  56  64.829   2.066  12.845
  412    HG3  GLU  56           HG1      GLU  56  66.482   1.551  12.512
  413    H    ASN  57           HN       ASN  57  64.865  -2.112   9.816
  414    HA   ASN  57           HA       ASN  57  63.959  -3.165   8.000
  415    HB2  ASN  57           HB2      ASN  57  61.962  -0.900   7.998
  416    HB3  ASN  57           HB1      ASN  57  61.757  -2.504   7.294
  417   HD21  ASN  57          HD21      ASN  57  62.709  -4.183   9.299
  418   HD22  ASN  57          HD22      ASN  57  61.785  -3.992  10.710
  419    H    GLY  58           HN       GLY  58  66.100  -1.308   7.511
  420    HA2  GLY  58           HA2      GLY  58  67.223  -0.860   5.497
  421    HA3  GLY  58           HA1      GLY  58  65.697  -0.963   4.636
  422    H    LEU  59           HN       LEU  59  65.169   1.031   7.242
  423    HA   LEU  59           HA       LEU  59  64.994   3.361   5.610
  424    HB2  LEU  59           HB2      LEU  59  63.688   2.771   7.785
  425    HB3  LEU  59           HB1      LEU  59  65.091   3.436   8.618
  426    HG   LEU  59           HG       LEU  59  64.746   5.473   6.952
  427   HD11  LEU  59          HD11      LEU  59  62.893   4.258   5.716
  428   HD12  LEU  59          HD12      LEU  59  62.454   5.857   6.309
  429   HD13  LEU  59          HD13      LEU  59  61.910   4.419   7.169
  430   HD21  LEU  59          HD21      LEU  59  64.582   5.741   9.343
  431   HD22  LEU  59          HD22      LEU  59  63.039   4.888   9.389
  432   HD23  LEU  59          HD23      LEU  59  63.145   6.479   8.636
  433    H    ARG  60           HN       ARG  60  67.544   1.886   7.292
  434    HA   ARG  60           HA       ARG  60  69.334   4.142   6.691
  435    HB2  ARG  60           HB2      ARG  60  68.696   4.406   9.078
  436    HB3  ARG  60           HB1      ARG  60  69.265   2.767   9.395
  437    HG2  ARG  60           HG2      ARG  60  71.535   3.421   8.617
  438    HG3  ARG  60           HG1      ARG  60  70.955   5.065   8.358
  439    HD2  ARG  60           HD2      ARG  60  70.822   3.638  11.023
  440    HD3  ARG  60           HD1      ARG  60  72.140   4.707  10.555
  441    HE   ARG  60           HE       ARG  60  69.750   6.110  10.171
  442   HH11  ARG  60          HH11      ARG  60  71.764   4.794  12.647
  443   HH12  ARG  60          HH12      ARG  60  71.166   5.842  13.889
  444   HH21  ARG  60          HH21      ARG  60  68.867   7.410  11.816
  445   HH22  ARG  60          HH22      ARG  60  69.522   7.328  13.416
  446    H    HIS  61           HN       HIS  61  70.286   2.970   5.071
  447    HA   HIS  61           HA       HIS  61  71.256   0.270   5.555
  448    HB2  HIS  61           HB2      HIS  61  71.366   2.086   3.148
  449    HB3  HIS  61           HB1      HIS  61  72.094   0.482   3.182
  450    HD1  HIS  61           HD1      HIS  61  68.898   2.220   2.683
  451    HD2  HIS  61           HD2      HIS  61  70.103  -1.662   3.613
  452    HE1  HIS  61           HE1      HIS  61  66.914   0.720   2.207
  453    H    LEU  62           HN       LEU  62  73.281  -0.337   6.025
  454    HA   LEU  62           HA       LEU  62  75.457   1.678   5.887
  455    HB2  LEU  62           HB2      LEU  62  75.124  -0.499   7.972
  456    HB3  LEU  62           HB1      LEU  62  76.420   0.685   7.887
  457    HG   LEU  62           HG       LEU  62  74.320   2.400   7.936
  458   HD11  LEU  62          HD11      LEU  62  72.619   1.539   9.530
  459   HD12  LEU  62          HD12      LEU  62  73.383  -0.048   9.469
  460   HD13  LEU  62          HD13      LEU  62  72.626   0.619   8.026
  461   HD21  LEU  62          HD21      LEU  62  76.257   2.250   9.565
  462   HD22  LEU  62          HD22      LEU  62  75.326   1.049  10.461
  463   HD23  LEU  62          HD23      LEU  62  74.720   2.696  10.306
  464    H    LEU  63           HN       LEU  63  77.457   0.919   5.232
  465    HA   LEU  63           HA       LEU  63  77.647  -1.916   4.353
  466    HB2  LEU  63           HB2      LEU  63  77.389  -0.747   2.316
  467    HB3  LEU  63           HB1      LEU  63  78.336   0.623   2.878
  468    HG   LEU  63           HG       LEU  63  80.398  -0.678   2.747
  469   HD11  LEU  63          HD11      LEU  63  80.258  -3.009   1.729
  470   HD12  LEU  63          HD12      LEU  63  78.533  -2.957   2.073
  471   HD13  LEU  63          HD13      LEU  63  79.692  -2.879   3.393
  472   HD21  LEU  63          HD21      LEU  63  78.887  -1.292   0.208
  473   HD22  LEU  63          HD22      LEU  63  80.574  -0.813   0.401
  474   HD23  LEU  63          HD23      LEU  63  79.291   0.366   0.661
  475    H    LEU  64           HN       LEU  64  79.195  -2.874   5.708
  476    HA   LEU  64           HA       LEU  64  81.395  -1.181   6.671
  477    HB2  LEU  64           HB2      LEU  64  80.115  -3.760   7.570
  478    HB3  LEU  64           HB1      LEU  64  81.738  -3.342   8.119
  479    HG   LEU  64           HG       LEU  64  80.911  -1.234   9.033
  480   HD11  LEU  64          HD11      LEU  64  79.137  -0.560   7.645
  481   HD12  LEU  64          HD12      LEU  64  78.307  -1.041   9.123
  482   HD13  LEU  64          HD13      LEU  64  78.343  -2.131   7.736
  483   HD21  LEU  64          HD21      LEU  64  80.838  -3.237  10.462
  484   HD22  LEU  64          HD22      LEU  64  79.217  -3.602   9.871
  485   HD23  LEU  64          HD23      LEU  64  79.498  -2.153  10.837
  486    H    LEU  65           HN       LEU  65  83.353  -1.354   5.865
  487    HA   LEU  65           HA       LEU  65  84.128  -3.770   4.326
  488    HB2  LEU  65           HB2      LEU  65  85.240  -0.954   4.156
  489    HB3  LEU  65           HB1      LEU  65  85.809  -2.334   3.223
  490    HG   LEU  65           HG       LEU  65  82.999  -1.184   3.127
  491   HD11  LEU  65          HD11      LEU  65  84.568   0.304   2.014
  492   HD12  LEU  65          HD12      LEU  65  83.643  -0.557   0.792
  493   HD13  LEU  65          HD13      LEU  65  85.297  -1.047   1.151
  494   HD21  LEU  65          HD21      LEU  65  82.637  -3.404   2.555
  495   HD22  LEU  65          HD22      LEU  65  84.276  -3.637   1.951
  496   HD23  LEU  65          HD23      LEU  65  83.089  -2.776   0.972
  497    H    LYS  66           HN       LYS  66  86.679  -4.073   4.529
  498    HA   LYS  66           HA       LYS  66  87.712  -3.263   7.118
  499    HB2  LYS  66           HB2      LYS  66  87.094  -6.165   6.514
  500    HB3  LYS  66           HB1      LYS  66  88.202  -5.646   7.781
  501    HG2  LYS  66           HG2      LYS  66  86.362  -4.341   8.829
  502    HG3  LYS  66           HG1      LYS  66  85.260  -4.933   7.588
  503    HD2  LYS  66           HD2      LYS  66  85.735  -7.257   8.278
  504    HD3  LYS  66           HD1      LYS  66  86.786  -6.650   9.557
  505    HE2  LYS  66           HE2      LYS  66  83.821  -6.066   9.275
  506    HE3  LYS  66           HE1      LYS  66  84.548  -7.163  10.448
  507    HZ1  LYS  66           HZ1      LYS  66  84.060  -4.920  11.332
  508    HZ2  LYS  66           HZ2      LYS  66  85.202  -4.276  10.251
  509    HZ3  LYS  66           HZ3      LYS  66  85.693  -5.358  11.464
  510    H    ASN  67           HN       ASN  67  89.926  -4.238   7.446
  511    HA   ASN  67           HA       ASN  67  92.124  -4.084   6.594
  512    HB2  ASN  67           HB2      ASN  67  90.869  -6.420   5.131
  513    HB3  ASN  67           HB1      ASN  67  92.606  -6.151   5.299
  514   HD21  ASN  67          HD21      ASN  67  90.731  -8.316   6.460
  515   HD22  ASN  67          HD22      ASN  67  91.074  -8.297   8.122
  516    H    LEU  68           HN       LEU  68  90.812  -2.104   5.346
  517    HA   LEU  68           HA       LEU  68  90.483  -2.262   2.597
  518    HB2  LEU  68           HB2      LEU  68  91.173   0.074   4.361
  519    HB3  LEU  68           HB1      LEU  68  90.778   0.246   2.653
  520    HG   LEU  68           HG       LEU  68  88.988  -1.157   4.656
  521   HD11  LEU  68          HD11      LEU  68  89.153   1.146   5.343
  522   HD12  LEU  68          HD12      LEU  68  87.613   0.947   4.509
  523   HD13  LEU  68          HD13      LEU  68  88.973   1.709   3.682
  524   HD21  LEU  68          HD21      LEU  68  88.790  -0.464   1.734
  525   HD22  LEU  68          HD22      LEU  68  87.319  -0.380   2.698
  526   HD23  LEU  68          HD23      LEU  68  88.212  -1.892   2.592
  527    H    ARG  69           HN       ARG  69  91.836  -2.840   1.131
  528    HA   ARG  69           HA       ARG  69  94.698  -2.205   1.332
  529    HB2  ARG  69           HB2      ARG  69  94.805  -3.767  -0.685
  530    HB3  ARG  69           HB1      ARG  69  94.288  -4.512   0.823
  531    HG2  ARG  69           HG2      ARG  69  92.128  -3.371  -0.908
  532    HG3  ARG  69           HG1      ARG  69  92.929  -4.818  -1.510
  533    HD2  ARG  69           HD2      ARG  69  91.694  -4.567   1.245
  534    HD3  ARG  69           HD1      ARG  69  90.917  -5.332  -0.133
  535    HE   ARG  69           HE       ARG  69  93.314  -6.332   1.282
  536   HH11  ARG  69          HH21      ARG  69  92.555  -6.836  -1.804
  537   HH12  ARG  69          HH22      ARG  69  92.026  -8.481  -1.673
  538   HH21  ARG  69          HH11      ARG  69  91.856  -8.431   1.786
  539   HH22  ARG  69          HH12      ARG  69  91.628  -9.381   0.355
  540    HA   PRO  70           HA       PRO  70  94.346   1.134  -1.523
  541    HB2  PRO  70           HB2      PRO  70  96.493   0.379  -3.314
  542    HB3  PRO  70           HB1      PRO  70  96.513   1.608  -2.043
  543    HG2  PRO  70           HG2      PRO  70  97.742  -0.995  -2.033
  544    HG3  PRO  70           HG1      PRO  70  97.843   0.274  -0.808
  545    HD2  PRO  70           HD2      PRO  70  96.433  -2.200  -0.604
  546    HD3  PRO  70           HD1      PRO  70  96.415  -0.864   0.558
  547    H    GLN  71           HN       GLN  71  94.784  -2.077  -2.920
  548    HA   GLN  71           HA       GLN  71  93.864  -1.575  -5.516
  549    HB2  GLN  71           HB2      GLN  71  94.903  -3.712  -4.825
  550    HB3  GLN  71           HB1      GLN  71  93.459  -4.094  -3.887
  551    HG2  GLN  71           HG2      GLN  71  92.079  -4.106  -5.886
  552    HG3  GLN  71           HG1      GLN  71  93.426  -3.518  -6.863
  553   HE21  GLN  71          HE21      GLN  71  92.141  -5.939  -7.549
  554   HE22  GLN  71          HE22      GLN  71  93.203  -7.232  -7.257
  555    H    ASP  72           HN       ASP  72  91.957  -2.944  -2.789
  556    HA   ASP  72           HA       ASP  72  89.520  -3.054  -3.969
  557    HB2  ASP  72           HB2      ASP  72  90.000  -3.885  -1.723
  558    HB3  ASP  72           HB1      ASP  72  90.106  -2.232  -1.120
  559    H    SER  73           HN       SER  73  91.057  -0.050  -2.710
  560    HA   SER  73           HA       SER  73  88.912   1.614  -2.539
  561    HB2  SER  73           HB2      SER  73  90.402   3.379  -2.821
  562    HB3  SER  73           HB1      SER  73  91.497   2.067  -2.396
  563    HG   SER  73           HG       SER  73  90.803   2.884  -5.028
  564    H    CYS  74           HN       CYS  74  87.354   2.325  -3.874
  565    HA   CYS  74           HA       CYS  74  87.751   2.733  -6.672
  566    HB2  CYS  74           HB2      CYS  74  87.592   0.177  -6.406
  567    HB3  CYS  74           HB1      CYS  74  85.884   0.451  -6.061
  568    HG   CYS  74           HG       CYS  74  87.242   1.267  -8.763
  569    H    ARG  75           HN       ARG  75  84.812   1.776  -7.003
  570    HA   ARG  75           HA       ARG  75  83.598   4.279  -5.975
  571    HB2  ARG  75           HB2      ARG  75  82.822   2.517  -8.303
  572    HB3  ARG  75           HB1      ARG  75  81.977   3.980  -7.801
  573    HG2  ARG  75           HG2      ARG  75  84.033   5.295  -8.186
  574    HG3  ARG  75           HG1      ARG  75  84.861   3.826  -8.714
  575    HD2  ARG  75           HD2      ARG  75  83.147   3.522 -10.476
  576    HD3  ARG  75           HD1      ARG  75  82.395   5.037  -9.982
  577    HE   ARG  75           HE       ARG  75  84.870   4.731 -11.489
  578   HH11  ARG  75          HH11      ARG  75  82.573   6.791  -9.931
  579   HH12  ARG  75          HH12      ARG  75  83.382   8.255 -10.373
  580   HH21  ARG  75          HH21      ARG  75  86.047   6.640 -11.895
  581   HH22  ARG  75          HH22      ARG  75  85.343   8.172 -11.493
  582    H    VAL  76           HN       VAL  76  81.737   4.249  -4.834
  583    HA   VAL  76           HA       VAL  76  80.534   1.614  -4.181
  584    HB   VAL  76           HB       VAL  76  80.506   4.150  -2.515
  585   HG11  VAL  76          HG11      VAL  76  79.545   2.737  -0.792
  586   HG12  VAL  76          HG12      VAL  76  79.738   1.304  -1.800
  587   HG13  VAL  76          HG13      VAL  76  78.575   2.549  -2.251
  588   HG21  VAL  76          HG21      VAL  76  82.766   3.013  -2.769
  589   HG22  VAL  76          HG22      VAL  76  82.047   1.591  -2.014
  590   HG23  VAL  76          HG23      VAL  76  82.161   3.104  -1.115
  591    H    THR  77           HN       THR  77  78.712   1.385  -5.361
  592    HA   THR  77           HA       THR  77  76.997   3.781  -5.787
  593    HB   THR  77           HB       THR  77  77.472   1.435  -7.632
  594    HG1  THR  77           HG1      THR  77  78.726   2.762  -8.699
  595   HG21  THR  77          HG21      THR  77  75.253   2.010  -8.075
  596   HG22  THR  77          HG22      THR  77  76.127   3.069  -9.181
  597   HG23  THR  77          HG23      THR  77  75.503   3.708  -7.663
  598    H    PHE  78           HN       PHE  78  75.006   3.704  -5.124
  599    HA   PHE  78           HA       PHE  78  73.662   1.110  -4.658
  600    HB2  PHE  78           HB2      PHE  78  74.236   1.819  -2.459
  601    HB3  PHE  78           HB1      PHE  78  73.879   3.504  -2.824
  602    HD1  PHE  78           HD2      PHE  78  71.900   0.353  -3.420
  603    HD2  PHE  78           HD1      PHE  78  72.098   4.172  -1.463
  604    HE1  PHE  78           HE2      PHE  78  69.593   0.048  -2.591
  605    HE2  PHE  78           HE1      PHE  78  69.784   3.865  -0.634
  606    HZ   PHE  78           HZ       PHE  78  68.529   1.802  -1.195
  607    H    LEU  79           HN       LEU  79  71.883   1.023  -5.927
  608    HA   LEU  79           HA       LEU  79  70.438   3.555  -6.511
  609    HB2  LEU  79           HB2      LEU  79  71.601   3.050  -8.510
  610    HB3  LEU  79           HB1      LEU  79  71.237   1.333  -8.389
  611    HG   LEU  79           HG       LEU  79  68.898   1.721  -8.887
  612   HD11  LEU  79          HD11      LEU  79  69.663   4.603  -8.462
  613   HD12  LEU  79          HD12      LEU  79  68.309   3.710  -7.781
  614   HD13  LEU  79          HD13      LEU  79  68.276   4.199  -9.472
  615   HD21  LEU  79          HD21      LEU  79  70.669   3.385 -10.704
  616   HD22  LEU  79          HD22      LEU  79  69.087   2.737 -11.134
  617   HD23  LEU  79          HD23      LEU  79  70.430   1.641 -10.814
  618    H    ALA  80           HN       ALA  80  68.720   3.379  -5.251
  619    HA   ALA  80           HA       ALA  80  66.957   1.008  -5.563
  620    HB1  ALA  80           HB1      ALA  80  66.070   1.883  -3.257
  621    HB2  ALA  80           HB2      ALA  80  67.630   2.700  -3.167
  622    HB3  ALA  80           HB3      ALA  80  67.561   0.943  -3.299
  623    H    GLY  81           HN       GLY  81  65.132   1.504  -6.651
  624    HA2  GLY  81           HA2      GLY  81  63.373   2.726  -7.513
  625    HA3  GLY  81           HA1      GLY  81  63.485   3.711  -6.056
  626    H    ASP  82           HN       ASP  82  62.820   5.308  -7.931
  627    HA   ASP  82           HA       ASP  82  64.686   6.149  -9.839
  628    HB2  ASP  82           HB2      ASP  82  62.429   7.592  -8.452
  629    HB3  ASP  82           HB1      ASP  82  63.352   8.296  -9.778
  630    H    MET  83           HN       MET  83  65.950   5.887  -7.129
  631    HA   MET  83           HA       MET  83  67.082   8.627  -6.961
  632    HB2  MET  83           HB2      MET  83  66.845   6.791  -4.579
  633    HB3  MET  83           HB1      MET  83  67.144   8.531  -4.606
  634    HG2  MET  83           HG2      MET  83  64.843   8.772  -5.693
  635    HG3  MET  83           HG1      MET  83  64.571   7.084  -5.264
  636    HE1  MET  83           HE1      MET  83  66.092   6.966  -2.163
  637    HE2  MET  83           HE2      MET  83  64.885   6.110  -3.120
  638    HE3  MET  83           HE3      MET  83  64.424   6.852  -1.588
  639    H    VAL  84           HN       VAL  84  69.228   8.694  -7.307
  640    HA   VAL  84           HA       VAL  84  70.800   6.196  -6.950
  641    HB   VAL  84           HB       VAL  84  70.586   6.526  -9.306
  642   HG11  VAL  84          HG11      VAL  84  69.766   8.766  -9.446
  643   HG12  VAL  84          HG12      VAL  84  71.281   8.727 -10.345
  644   HG13  VAL  84          HG13      VAL  84  71.236   9.421  -8.728
  645   HG21  VAL  84          HG21      VAL  84  72.919   6.120  -8.330
  646   HG22  VAL  84          HG22      VAL  84  73.226   7.832  -8.619
  647   HG23  VAL  84          HG23      VAL  84  72.866   6.762  -9.973
  648    H    THR  85           HN       THR  85  72.522   6.312  -5.704
  649    HA   THR  85           HA       THR  85  73.719   8.951  -5.064
  650    HB   THR  85           HB       THR  85  73.701   8.469  -2.783
  651    HG1  THR  85           HG1      THR  85  73.541   6.256  -2.064
  652   HG21  THR  85          HG21      THR  85  71.341   8.527  -3.581
  653   HG22  THR  85          HG22      THR  85  71.538   7.499  -2.163
  654   HG23  THR  85          HG23      THR  85  71.378   6.773  -3.755
  655    H    SER  86           HN       SER  86  75.989   8.976  -5.093
  656    HA   SER  86           HA       SER  86  77.472   6.462  -5.136
  657    HB2  SER  86           HB2      SER  86  77.157   8.198  -7.575
  658    HB3  SER  86           HB1      SER  86  78.573   7.173  -7.357
  659    HG   SER  86           HG       SER  86  77.187   5.397  -7.185
  660    H    ALA  87           HN       ALA  87  79.558   6.694  -4.420
  661    HA   ALA  87           HA       ALA  87  80.784   9.369  -4.397
  662    HB1  ALA  87           HB1      ALA  87  79.472   9.072  -2.268
  663    HB2  ALA  87           HB2      ALA  87  81.197   9.354  -2.039
  664    HB3  ALA  87           HB3      ALA  87  80.540   7.725  -1.873
  665    H    PHE  88           HN       PHE  88  83.014   9.381  -3.914
  666    HA   PHE  88           HA       PHE  88  84.430   7.123  -4.992
  667    HB2  PHE  88           HB2      PHE  88  85.357   9.769  -3.862
  668    HB3  PHE  88           HB1      PHE  88  86.423   8.586  -4.618
  669    HD1  PHE  88           HD2      PHE  88  83.685  10.986  -5.171
  670    HD2  PHE  88           HD1      PHE  88  86.325   8.143  -7.012
  671    HE1  PHE  88           HE2      PHE  88  83.077  11.871  -7.407
  672    HE2  PHE  88           HE1      PHE  88  85.715   9.024  -9.248
  673    HZ   PHE  88           HZ       PHE  88  84.092  10.890  -9.446
  674    H    LEU  89           HN       LEU  89  86.284   6.157  -4.002
  675    HA   LEU  89           HA       LEU  89  86.224   6.001  -1.042
  676    HB2  LEU  89           HB2      LEU  89  85.228   3.935  -1.899
  677    HB3  LEU  89           HB1      LEU  89  86.571   3.719  -3.011
  678    HG   LEU  89           HG       LEU  89  88.126   3.452  -1.103
  679   HD11  LEU  89          HD11      LEU  89  87.053   3.082   1.175
  680   HD12  LEU  89          HD12      LEU  89  85.605   3.836   0.525
  681   HD13  LEU  89          HD13      LEU  89  87.102   4.757   0.638
  682   HD21  LEU  89          HD21      LEU  89  86.644   1.543  -2.128
  683   HD22  LEU  89          HD22      LEU  89  85.810   1.595  -0.578
  684   HD23  LEU  89          HD23      LEU  89  87.535   1.234  -0.639
  685    H    THR  90           HN       THR  90  88.256   6.089  -0.083
  686    HA   THR  90           HA       THR  90  90.620   5.940  -1.855
  687    HB   THR  90           HB       THR  90  90.120   8.196   0.099
  688    HG1  THR  90           HG1      THR  90  89.021   7.986  -2.121
  689   HG21  THR  90          HG21      THR  90  92.366   7.583  -1.839
  690   HG22  THR  90          HG22      THR  90  92.477   7.650  -0.081
  691   HG23  THR  90          HG23      THR  90  92.173   9.123  -1.002
  692    H    VAL  91           HN       VAL  91  92.145   4.695  -1.024
  693    HA   VAL  91           HA       VAL  91  92.296   4.359   1.931
  694    HB   VAL  91           HB       VAL  91  92.760   2.237  -0.182
  695   HG11  VAL  91          HG11      VAL  91  92.559   2.031   2.836
  696   HG12  VAL  91          HG12      VAL  91  94.070   1.984   1.929
  697   HG13  VAL  91          HG13      VAL  91  92.875   0.709   1.715
  698   HG21  VAL  91          HG21      VAL  91  90.653   1.276   0.549
  699   HG22  VAL  91          HG22      VAL  91  90.368   2.944   0.055
  700   HG23  VAL  91          HG23      VAL  91  90.459   2.534   1.768
  701    H    ARG  92           HN       ARG  92  94.114   5.373   2.522
  702    HA   ARG  92           HA       ARG  92  96.517   5.207   0.805
  703    HB2  ARG  92           HB2      ARG  92  95.740   7.084   3.039
  704    HB3  ARG  92           HB1      ARG  92  97.326   7.079   2.266
  705    HG2  ARG  92           HG2      ARG  92  96.276   7.492   0.082
  706    HG3  ARG  92           HG1      ARG  92  94.683   7.488   0.843
  707    HD2  ARG  92           HD2      ARG  92  95.332   9.391   2.245
  708    HD3  ARG  92           HD1      ARG  92  96.937   9.393   1.519
  709    HE   ARG  92           HE       ARG  92  94.725   9.662  -0.361
  710   HH11  ARG  92          HH21      ARG  92  97.764  10.773   0.198
  711   HH12  ARG  92          HH22      ARG  92  97.435  12.457  -0.042
  712   HH21  ARG  92          HH11      ARG  92  93.993  12.062  -0.054
  713   HH22  ARG  92          HH12      ARG  92  95.307  13.184  -0.192
  714    H    GLY  93           HN       GLY  93  98.432   4.436   1.531
  715    HA2  GLY  93           HA2      GLY  93  98.542   3.281   4.265
  716    HA3  GLY  93           HA1      GLY  93  99.166   2.425   2.855
  717    H    GLY  94           HN       GLY  94  99.492   5.838   2.907
  718    HA2  GLY  94           HA2      GLY  94 102.379   5.640   2.932
  719    HA3  GLY  94           HA1      GLY  94 101.428   7.102   2.692
  720    H    LEU  95           HN       LEU  95 103.722   6.972   4.313
  721    HA   LEU  95           HA       LEU  95 102.852   6.869   7.092
  722    HB2  LEU  95           HB2      LEU  95 105.065   6.021   6.534
  723    HB3  LEU  95           HB1      LEU  95 105.505   7.562   5.805
  724    HG   LEU  95           HG       LEU  95 105.335   8.680   7.976
  725   HD11  LEU  95          HD11      LEU  95 103.625   7.608   9.168
  726   HD12  LEU  95          HD12      LEU  95 105.063   7.031  10.002
  727   HD13  LEU  95          HD13      LEU  95 104.254   5.996   8.824
  728   HD21  LEU  95          HD21      LEU  95 106.936   6.102   8.053
  729   HD22  LEU  95          HD22      LEU  95 107.180   7.465   9.147
  730   HD23  LEU  95          HD23      LEU  95 107.482   7.656   7.420
  731    H    GLU  96           HN       GLU  96 104.825   9.318   5.449
  732    HA   GLU  96           HA       GLU  96 103.706  11.418   7.077
  733    HB2  GLU  96           HB2      GLU  96 105.680  11.455   4.784
  734    HB3  GLU  96           HB1      GLU  96 105.210  12.884   5.704
  735    HG2  GLU  96           HG2      GLU  96 106.001  11.819   7.779
  736    HG3  GLU  96           HG1      GLU  96 106.468  10.385   6.865
  737    H    HIS  97           HN       HIS  97 102.393  13.098   6.455
  738    HA   HIS  97           HA       HIS  97 100.948  12.738   3.887
  739    HB2  HIS  97           HB2      HIS  97 100.101  14.109   6.452
  740    HB3  HIS  97           HB1      HIS  97  99.133  14.017   4.979
  741    HD1  HIS  97           HD1      HIS  97 100.048  12.112   7.994
  742    HD2  HIS  97           HD2      HIS  97  98.402  11.258   4.260
  743    HE1  HIS  97           HE1      HIS  97  99.059   9.787   8.162
  744    H    HIS  98           HN       HIS  98 101.300  14.210   2.347
  745    HA   HIS  98           HA       HIS  98 102.890  16.556   2.891
  746    HB2  HIS  98           HB2      HIS  98 103.125  15.328   0.762
  747    HB3  HIS  98           HB1      HIS  98 101.459  15.745   0.347
  748    HD1  HIS  98           HD1      HIS  98 104.744  17.470   1.200
  749    HD2  HIS  98           HD2      HIS  98 101.190  18.253  -0.834
  750    HE1  HIS  98           HE1      HIS  98 105.021  19.746   0.129
  751    H    HIS  99           HN       HIS  99  99.510  15.834   2.253
  752    HA   HIS  99           HA       HIS  99  98.745  18.626   2.103
  753    HB2  HIS  99           HB2      HIS  99  96.389  17.523   2.176
  754    HB3  HIS  99           HB1      HIS  99  97.401  17.247   0.758
  755    HD1  HIS  99           HD1      HIS  99  96.175  15.545   3.893
  756    HD2  HIS  99           HD2      HIS  99  98.284  14.577   0.429
  757    HE1  HIS  99           HE1      HIS  99  96.361  13.020   3.850
  758    H    HIS 100           HN       HIS 100  97.066  19.498   3.532
  759    HA   HIS 100           HA       HIS 100  97.001  18.383   6.254
  760    HB2  HIS 100           HB2      HIS 100  97.859  21.199   5.552
  761    HB3  HIS 100           HB1      HIS 100  97.393  20.688   7.174
  762    HD1  HIS 100           HD1      HIS 100  98.799  18.355   7.935
  763    HD2  HIS 100           HD2      HIS 100 100.571  20.918   5.165
  764    HE1  HIS 100           HE1      HIS 100 101.274  17.820   7.947
  765    H    HIS 101           HN       HIS 101  95.163  18.932   7.410
  766    HA   HIS 101           HA       HIS 101  92.981  20.140   5.800
  767    HB2  HIS 101           HB2      HIS 101  92.900  17.682   6.611
  768    HB3  HIS 101           HB1      HIS 101  92.616  18.362   8.210
  769    HD1  HIS 101           HD1      HIS 101  90.527  16.718   6.392
  770    HD2  HIS 101           HD2      HIS 101  90.579  20.845   6.973
  771    HE1  HIS 101           HE1      HIS 101  88.180  17.537   5.917
  772    H    HIS 102           HN       HIS 102  92.429  22.122   6.396
  773    HA   HIS 102           HA       HIS 102  93.109  23.134   9.056
  774    HB2  HIS 102           HB2      HIS 102  93.576  24.507   7.051
  775    HB3  HIS 102           HB1      HIS 102  91.852  24.536   6.681
  776    HD1  HIS 102           HD1      HIS 102  94.320  25.713   9.300
  777    HD2  HIS 102           HD2      HIS 102  90.362  26.386   8.178
  778    HE1  HIS 102           HE1      HIS 102  93.521  27.702  10.648
  Start of MODEL   20
    1    H1   THR   1           HT1      THR   1  55.640  -0.399  -1.992
    2    H2   THR   1           HT2      THR   1  57.216   0.087  -2.401
    3    H3   THR   1           HT3      THR   1  56.535  -1.292  -3.119
    4    HA   THR   1           HA       THR   1  56.603   1.031  -4.346
    5    HB   THR   1           HB       THR   1  54.180  -0.775  -4.464
    6    HG1  THR   1           HG1      THR   1  55.949  -2.094  -4.419
    7   HG21  THR   1          HG21      THR   1  54.357   1.314  -5.926
    8   HG22  THR   1          HG22      THR   1  54.113  -0.209  -6.778
    9   HG23  THR   1          HG23      THR   1  55.716   0.523  -6.717
   10    H    ALA   2           HN       ALA   2  56.192   2.360  -2.167
   11    HA   ALA   2           HA       ALA   2  53.450   3.462  -2.382
   12    HB1  ALA   2           HB1      ALA   2  53.247   3.628  -0.005
   13    HB2  ALA   2           HB2      ALA   2  54.917   3.121   0.239
   14    HB3  ALA   2           HB3      ALA   2  53.723   1.966  -0.352
   15    H    LYS   3           HN       LYS   3  56.761   3.966  -1.136
   16    HA   LYS   3           HA       LYS   3  56.917   6.581  -2.299
   17    HB2  LYS   3           HB2      LYS   3  55.412   6.978  -0.328
   18    HB3  LYS   3           HB1      LYS   3  56.737   6.462   0.720
   19    HG2  LYS   3           HG2      LYS   3  58.160   8.264  -0.176
   20    HG3  LYS   3           HG1      LYS   3  56.848   8.777  -1.240
   21    HD2  LYS   3           HD2      LYS   3  55.426   9.205   0.750
   22    HD3  LYS   3           HD1      LYS   3  56.767   8.731   1.793
   23    HE2  LYS   3           HE2      LYS   3  58.148  10.552   0.870
   24    HE3  LYS   3           HE1      LYS   3  56.818  11.024  -0.190
   25    HZ1  LYS   3           HZ1      LYS   3  56.394  12.398   1.537
   26    HZ2  LYS   3           HZ2      LYS   3  57.122  11.383   2.687
   27    HZ3  LYS   3           HZ3      LYS   3  55.557  11.043   2.120
   28    H    ASN   4           HN       ASN   4  59.026   7.067  -2.634
   29    HA   ASN   4           HA       ASN   4  61.057   6.110  -0.758
   30    HB2  ASN   4           HB2      ASN   4  61.514   5.761  -3.705
   31    HB3  ASN   4           HB1      ASN   4  62.366   5.013  -2.354
   32   HD21  ASN   4          HD21      ASN   4  60.341   4.164  -4.773
   33   HD22  ASN   4          HD22      ASN   4  59.450   2.939  -4.010
   34    H    THR   5           HN       THR   5  62.106   7.935  -0.123
   35    HA   THR   5           HA       THR   5  62.911   9.860  -2.221
   36    HB   THR   5           HB       THR   5  61.375  10.561   0.297
   37    HG1  THR   5           HG1      THR   5  59.906  11.373  -1.164
   38   HG21  THR   5          HG21      THR   5  61.649  12.928  -0.687
   39   HG22  THR   5          HG22      THR   5  62.985  12.250  -1.621
   40   HG23  THR   5          HG23      THR   5  63.039  12.232   0.144
   41    H    VAL   6           HN       VAL   6  65.044   9.725  -2.025
   42    HA   VAL   6           HA       VAL   6  66.425   9.039   0.342
   43    HB   VAL   6           HB       VAL   6  67.325   8.775  -1.964
   44   HG11  VAL   6          HG11      VAL   6  68.124  10.632  -3.208
   45   HG12  VAL   6          HG12      VAL   6  68.040  11.707  -1.813
   46   HG13  VAL   6          HG13      VAL   6  66.559  11.166  -2.600
   47   HG21  VAL   6          HG21      VAL   6  68.741   8.869   0.193
   48   HG22  VAL   6          HG22      VAL   6  69.187  10.497  -0.324
   49   HG23  VAL   6          HG23      VAL   6  69.580   9.108  -1.337
   50    H    VAL   7           HN       VAL   7  67.101  10.153   2.013
   51    HA   VAL   7           HA       VAL   7  66.554  13.017   2.169
   52    HB   VAL   7           HB       VAL   7  67.622  11.093   4.261
   53   HG11  VAL   7          HG11      VAL   7  68.126  13.442   4.745
   54   HG12  VAL   7          HG12      VAL   7  66.864  12.856   5.833
   55   HG13  VAL   7          HG13      VAL   7  66.441  13.877   4.455
   56   HG21  VAL   7          HG21      VAL   7  65.303  11.077   5.110
   57   HG22  VAL   7          HG22      VAL   7  65.365  10.461   3.455
   58   HG23  VAL   7          HG23      VAL   7  64.804  12.105   3.764
   59    H    ARG   8           HN       ARG   8  69.242  10.735   2.394
   60    HA   ARG   8           HA       ARG   8  71.151  12.834   1.636
   61    HB2  ARG   8           HB2      ARG   8  71.560  12.893   3.940
   62    HB3  ARG   8           HB1      ARG   8  71.222  11.176   4.141
   63    HG2  ARG   8           HG2      ARG   8  73.319  10.537   3.179
   64    HG3  ARG   8           HG1      ARG   8  73.625  12.161   2.557
   65    HD2  ARG   8           HD2      ARG   8  73.415  11.410   5.497
   66    HD3  ARG   8           HD1      ARG   8  74.931  11.635   4.630
   67    HE   ARG   8           HE       ARG   8  73.126  13.721   5.541
   68   HH11  ARG   8          HH21      ARG   8  73.839  14.173   2.588
   69   HH12  ARG   8          HH22      ARG   8  75.242  15.181   2.726
   70   HH21  ARG   8          HH11      ARG   8  75.763  14.444   6.071
   71   HH22  ARG   8          HH12      ARG   8  76.311  15.353   4.702
   72    H    GLY   9           HN       GLY   9  72.573  12.143   0.169
   73    HA2  GLY   9           HA2      GLY   9  72.559   9.325  -0.600
   74    HA3  GLY   9           HA1      GLY   9  73.261  10.659  -1.519
   75    H    LEU  10           HN       LEU  10  74.967   8.747  -1.454
   76    HA   LEU  10           HA       LEU  10  76.538   8.556   0.943
   77    HB2  LEU  10           HB2      LEU  10  77.066   7.672  -1.894
   78    HB3  LEU  10           HB1      LEU  10  78.093   7.271  -0.515
   79    HG   LEU  10           HG       LEU  10  75.129   6.663  -0.631
   80   HD11  LEU  10          HD11      LEU  10  76.103   5.377  -2.393
   81   HD12  LEU  10          HD12      LEU  10  75.982   4.274  -1.022
   82   HD13  LEU  10          HD13      LEU  10  77.533   5.005  -1.431
   83   HD21  LEU  10          HD21      LEU  10  77.351   6.058   1.301
   84   HD22  LEU  10          HD22      LEU  10  76.053   4.887   1.121
   85   HD23  LEU  10          HD23      LEU  10  75.691   6.531   1.624
   86    H    GLU  11           HN       GLU  11  78.965   9.007   0.857
   87    HA   GLU  11           HA       GLU  11  79.651  11.393  -0.706
   88    HB2  GLU  11           HB2      GLU  11  80.540  12.497   1.326
   89    HB3  GLU  11           HB1      GLU  11  78.792  12.290   1.402
   90    HG2  GLU  11           HG2      GLU  11  79.097  10.236   2.756
   91    HG3  GLU  11           HG1      GLU  11  80.846  10.480   2.708
   92    H    ASN  12           HN       ASN  12  82.083  11.928  -0.131
   93    HA   ASN  12           HA       ASN  12  83.561   9.604  -0.836
   94    HB2  ASN  12           HB2      ASN  12  85.541  10.977  -0.703
   95    HB3  ASN  12           HB1      ASN  12  84.258  11.909  -1.472
   96   HD21  ASN  12          HD21      ASN  12  85.557  13.845  -0.732
   97   HD22  ASN  12          HD22      ASN  12  85.369  14.394   0.863
   98    H    VAL  13           HN       VAL  13  85.183   8.534   0.334
   99    HA   VAL  13           HA       VAL  13  85.002   8.767   3.295
  100    HB   VAL  13           HB       VAL  13  84.743   6.251   1.638
  101   HG11  VAL  13          HG11      VAL  13  86.291   5.658   3.375
  102   HG12  VAL  13          HG12      VAL  13  84.705   5.115   3.930
  103   HG13  VAL  13          HG13      VAL  13  85.404   6.601   4.574
  104   HG21  VAL  13          HG21      VAL  13  82.663   7.457   2.092
  105   HG22  VAL  13          HG22      VAL  13  83.064   7.539   3.809
  106   HG23  VAL  13          HG23      VAL  13  82.715   5.982   3.060
  107    H    GLU  14           HN       GLU  14  86.903   8.831   4.277
  108    HA   GLU  14           HA       GLU  14  89.360   8.123   2.755
  109    HB2  GLU  14           HB2      GLU  14  89.147  10.533   3.291
  110    HB3  GLU  14           HB1      GLU  14  88.976  10.132   4.998
  111    HG2  GLU  14           HG2      GLU  14  91.225   9.144   5.014
  112    HG3  GLU  14           HG1      GLU  14  91.400   9.472   3.289
  113    H    ALA  15           HN       ALA  15  90.592   6.496   3.605
  114    HA   ALA  15           HA       ALA  15  90.492   5.945   6.481
  115    HB1  ALA  15           HB1      ALA  15  89.518   4.004   4.371
  116    HB2  ALA  15           HB2      ALA  15  88.627   4.634   5.756
  117    HB3  ALA  15           HB3      ALA  15  89.966   3.518   6.009
  118    H    LEU  16           HN       LEU  16  92.460   5.299   7.204
  119    HA   LEU  16           HA       LEU  16  94.596   4.932   5.345
  120    HB2  LEU  16           HB2      LEU  16  94.369   4.747   8.341
  121    HB3  LEU  16           HB1      LEU  16  95.840   4.220   7.525
  122    HG   LEU  16           HG       LEU  16  94.654   6.922   6.910
  123   HD11  LEU  16          HD11      LEU  16  96.560   6.284   9.180
  124   HD12  LEU  16          HD12      LEU  16  94.888   6.813   9.365
  125   HD13  LEU  16          HD13      LEU  16  96.084   7.903   8.662
  126   HD21  LEU  16          HD21      LEU  16  97.167   7.408   6.619
  127   HD22  LEU  16          HD22      LEU  16  96.430   6.343   5.430
  128   HD23  LEU  16          HD23      LEU  16  97.409   5.665   6.728
  129    H    GLU  17           HN       GLU  17  95.962   3.129   5.208
  130    HA   GLU  17           HA       GLU  17  94.794   0.785   4.406
  131    HB2  GLU  17           HB2      GLU  17  97.192   1.443   4.064
  132    HB3  GLU  17           HB1      GLU  17  97.514   0.955   5.727
  133    HG2  GLU  17           HG2      GLU  17  96.725  -1.325   5.219
  134    HG3  GLU  17           HG1      GLU  17  96.395  -0.845   3.555
  135    H    GLY  18           HN       GLY  18  94.220  -1.148   5.315
  136    HA2  GLY  18           HA2      GLY  18  93.624  -2.693   6.892
  137    HA3  GLY  18           HA1      GLY  18  94.813  -1.954   7.968
  138    H    GLY  19           HN       GLY  19  92.342  -0.025   6.520
  139    HA2  GLY  19           HA2      GLY  19  91.085   0.394   9.163
  140    HA3  GLY  19           HA1      GLY  19  91.054   1.526   7.813
  141    H    GLU  20           HN       GLU  20  88.694   1.296   8.666
  142    HA   GLU  20           HA       GLU  20  87.300  -0.788   7.065
  143    HB2  GLU  20           HB2      GLU  20  85.434  -0.570   8.657
  144    HB3  GLU  20           HB1      GLU  20  86.910  -1.073   9.479
  145    HG2  GLU  20           HG2      GLU  20  85.957   1.812   9.341
  146    HG3  GLU  20           HG1      GLU  20  85.639   0.727  10.685
  147    H    ALA  21           HN       ALA  21  84.965   0.046   6.502
  148    HA   ALA  21           HA       ALA  21  85.104   2.929   5.768
  149    HB1  ALA  21           HB1      ALA  21  83.892   0.816   3.992
  150    HB2  ALA  21           HB2      ALA  21  85.553   1.377   3.808
  151    HB3  ALA  21           HB3      ALA  21  84.219   2.502   3.618
  152    H    LEU  22           HN       LEU  22  83.364   4.091   6.258
  153    HA   LEU  22           HA       LEU  22  80.915   2.661   7.127
  154    HB2  LEU  22           HB2      LEU  22  82.297   5.121   8.184
  155    HB3  LEU  22           HB1      LEU  22  80.593   4.835   8.508
  156    HG   LEU  22           HG       LEU  22  82.066   4.041  10.342
  157   HD11  LEU  22          HD11      LEU  22  79.831   2.883   9.543
  158   HD12  LEU  22          HD12      LEU  22  80.820   2.152  10.801
  159   HD13  LEU  22          HD13      LEU  22  80.907   1.541   9.151
  160   HD21  LEU  22          HD21      LEU  22  83.749   2.487  10.087
  161   HD22  LEU  22          HD22      LEU  22  83.855   3.268   8.514
  162   HD23  LEU  22          HD23      LEU  22  83.005   1.732   8.686
  163    H    PHE  23           HN       PHE  23  79.723   2.768   5.225
  164    HA   PHE  23           HA       PHE  23  79.272   5.455   4.042
  165    HB2  PHE  23           HB2      PHE  23  78.874   2.641   3.027
  166    HB3  PHE  23           HB1      PHE  23  78.153   4.031   2.221
  167    HD1  PHE  23           HD1      PHE  23  79.633   5.894   1.414
  168    HD2  PHE  23           HD2      PHE  23  81.186   2.116   2.729
  169    HE1  PHE  23           HE1      PHE  23  81.736   6.347   0.207
  170    HE2  PHE  23           HE2      PHE  23  83.298   2.572   1.516
  171    HZ   PHE  23           HZ       PHE  23  83.579   4.687   0.256
  172    H    GLU  24           HN       GLU  24  77.646   6.375   5.277
  173    HA   GLU  24           HA       GLU  24  75.210   4.759   5.769
  174    HB2  GLU  24           HB2      GLU  24  76.325   7.226   7.113
  175    HB3  GLU  24           HB1      GLU  24  74.681   6.659   7.393
  176    HG2  GLU  24           HG2      GLU  24  75.915   5.652   9.127
  177    HG3  GLU  24           HG1      GLU  24  75.772   4.366   7.935
  178    H    CYS  25           HN       CYS  25  73.493   5.062   4.611
  179    HA   CYS  25           HA       CYS  25  72.889   7.736   3.483
  180    HB2  CYS  25           HB2      CYS  25  71.743   6.124   1.617
  181    HB3  CYS  25           HB1      CYS  25  73.381   6.756   1.448
  182    HG   CYS  25           HG       CYS  25  72.652   3.839   2.207
  183    H    GLN  26           HN       GLN  26  70.884   8.403   3.982
  184    HA   GLN  26           HA       GLN  26  69.023   6.408   5.179
  185    HB2  GLN  26           HB2      GLN  26  69.452   9.340   5.750
  186    HB3  GLN  26           HB1      GLN  26  68.100   8.404   6.393
  187    HG2  GLN  26           HG2      GLN  26  69.635   6.859   7.487
  188    HG3  GLN  26           HG1      GLN  26  71.019   7.692   6.779
  189   HE21  GLN  26          HE21      GLN  26  69.595   7.411   9.680
  190   HE22  GLN  26          HE22      GLN  26  69.804   8.982  10.287
  191    H    LEU  27           HN       LEU  27  67.207   6.046   4.150
  192    HA   LEU  27           HA       LEU  27  66.052   8.150   2.432
  193    HB2  LEU  27           HB2      LEU  27  65.316   6.119   0.935
  194    HB3  LEU  27           HB1      LEU  27  66.916   6.817   0.741
  195    HG   LEU  27           HG       LEU  27  66.886   4.313   0.804
  196   HD11  LEU  27          HD11      LEU  27  68.479   4.941   3.224
  197   HD12  LEU  27          HD12      LEU  27  68.772   6.011   1.852
  198   HD13  LEU  27          HD13      LEU  27  68.978   4.272   1.671
  199   HD21  LEU  27          HD21      LEU  27  66.304   3.103   2.730
  200   HD22  LEU  27          HD22      LEU  27  65.055   4.336   2.641
  201   HD23  LEU  27          HD23      LEU  27  66.391   4.521   3.767
  202    H    SER  28           HN       SER  28  63.789   7.994   2.067
  203    HA   SER  28           HA       SER  28  62.352   6.876   4.364
  204    HB2  SER  28           HB2      SER  28  61.926   9.206   4.003
  205    HB3  SER  28           HB1      SER  28  61.633   8.951   2.286
  206    HG   SER  28           HG       SER  28  59.749   9.129   3.785
  207    H    GLN  29           HN       GLN  29  61.859   4.797   3.951
  208    HA   GLN  29           HA       GLN  29  59.727   4.120   2.250
  209    HB2  GLN  29           HB2      GLN  29  61.138   2.406   0.864
  210    HB3  GLN  29           HB1      GLN  29  61.069   4.082   0.333
  211    HG2  GLN  29           HG2      GLN  29  63.211   4.557   1.307
  212    HG3  GLN  29           HG1      GLN  29  63.252   2.990   2.113
  213   HE21  GLN  29          HE21      GLN  29  65.093   2.101   1.024
  214   HE22  GLN  29          HE22      GLN  29  65.132   1.834  -0.650
  215    HA   PRO  30           HA       PRO  30  60.722   1.243   5.706
  216    HB2  PRO  30           HB2      PRO  30  57.892   1.073   6.317
  217    HB3  PRO  30           HB1      PRO  30  59.176   1.821   7.280
  218    HG2  PRO  30           HG2      PRO  30  57.129   3.173   5.937
  219    HG3  PRO  30           HG1      PRO  30  58.602   3.899   6.600
  220    HD2  PRO  30           HD2      PRO  30  57.925   3.285   3.771
  221    HD3  PRO  30           HD1      PRO  30  59.075   4.471   4.428
  222    H    GLU  31           HN       GLU  31  60.366   0.664   2.891
  223    HA   GLU  31           HA       GLU  31  59.456  -2.093   3.110
  224    HB2  GLU  31           HB2      GLU  31  57.437  -0.804   2.376
  225    HB3  GLU  31           HB1      GLU  31  58.346  -0.257   0.970
  226    HG2  GLU  31           HG2      GLU  31  58.587  -2.524   0.157
  227    HG3  GLU  31           HG1      GLU  31  57.914  -3.179   1.648
  228    H    VAL  32           HN       VAL  32  60.136  -3.340   1.166
  229    HA   VAL  32           HA       VAL  32  62.367  -2.104  -0.314
  230    HB   VAL  32           HB       VAL  32  63.428  -3.315   1.474
  231   HG11  VAL  32          HG11      VAL  32  61.317  -4.795   1.856
  232   HG12  VAL  32          HG12      VAL  32  62.904  -5.501   2.162
  233   HG13  VAL  32          HG13      VAL  32  62.047  -5.866   0.665
  234   HG21  VAL  32          HG21      VAL  32  64.793  -4.808   0.209
  235   HG22  VAL  32          HG22      VAL  32  64.269  -3.551  -0.910
  236   HG23  VAL  32          HG23      VAL  32  63.494  -5.136  -0.941
  237    H    ALA  33           HN       ALA  33  61.930  -2.256  -2.388
  238    HA   ALA  33           HA       ALA  33  60.244  -4.489  -3.379
  239    HB1  ALA  33           HB1      ALA  33  59.416  -2.102  -3.610
  240    HB2  ALA  33           HB2      ALA  33  59.474  -3.044  -5.101
  241    HB3  ALA  33           HB3      ALA  33  60.729  -1.849  -4.763
  242    H    ALA  34           HN       ALA  34  63.112  -2.543  -4.159
  243    HA   ALA  34           HA       ALA  34  64.414  -4.787  -5.400
  244    HB1  ALA  34           HB1      ALA  34  63.263  -2.613  -7.148
  245    HB2  ALA  34           HB2      ALA  34  62.986  -4.351  -7.270
  246    HB3  ALA  34           HB3      ALA  34  64.568  -3.676  -7.676
  247    H    HIS  35           HN       HIS  35  66.533  -4.495  -4.987
  248    HA   HIS  35           HA       HIS  35  67.695  -1.812  -5.271
  249    HB2  HIS  35           HB2      HIS  35  67.758  -3.432  -2.714
  250    HB3  HIS  35           HB1      HIS  35  68.778  -2.030  -3.031
  251    HD1  HIS  35           HD1      HIS  35  65.048  -2.899  -2.975
  252    HD2  HIS  35           HD2      HIS  35  67.575   0.363  -2.381
  253    HE1  HIS  35           HE1      HIS  35  63.575  -0.967  -2.255
  254    H    THR  36           HN       THR  36  69.658  -1.882  -6.173
  255    HA   THR  36           HA       THR  36  71.210  -4.415  -6.021
  256    HB   THR  36           HB       THR  36  71.074  -2.589  -8.434
  257    HG1  THR  36           HG1      THR  36  69.243  -3.571  -8.724
  258   HG21  THR  36          HG21      THR  36  72.216  -5.361  -7.982
  259   HG22  THR  36          HG22      THR  36  73.151  -3.882  -8.192
  260   HG23  THR  36          HG23      THR  36  72.191  -4.514  -9.529
  261    H    TRP  37           HN       TRP  37  73.161  -4.145  -5.208
  262    HA   TRP  37           HA       TRP  37  74.371  -1.421  -5.133
  263    HB2  TRP  37           HB2      TRP  37  73.633  -2.663  -2.941
  264    HB3  TRP  37           HB1      TRP  37  75.069  -3.641  -3.207
  265    HD1  TRP  37           HD1      TRP  37  77.092  -1.411  -4.194
  266    HE1  TRP  37           HE1      TRP  37  77.932   0.361  -2.537
  267    HE3  TRP  37           HE3      TRP  37  73.386  -1.644  -0.690
  268    HZ2  TRP  37           HZ2      TRP  37  77.156   1.531  -0.050
  269    HZ3  TRP  37           HZ3      TRP  37  73.460  -0.197   1.306
  270    HH2  TRP  37           HH2      TRP  37  75.332   1.395   1.643
  271    H    LEU  38           HN       LEU  38  76.188  -1.244  -6.357
  272    HA   LEU  38           HA       LEU  38  77.973  -3.576  -6.598
  273    HB2  LEU  38           HB2      LEU  38  76.910  -1.972  -8.938
  274    HB3  LEU  38           HB1      LEU  38  78.261  -3.098  -9.033
  275    HG   LEU  38           HG       LEU  38  75.482  -3.870  -8.081
  276   HD11  LEU  38          HD11      LEU  38  75.037  -4.729 -10.258
  277   HD12  LEU  38          HD12      LEU  38  76.717  -4.542 -10.768
  278   HD13  LEU  38          HD13      LEU  38  75.694  -3.118 -10.542
  279   HD21  LEU  38          HD21      LEU  38  76.520  -6.189  -8.815
  280   HD22  LEU  38          HD22      LEU  38  76.944  -5.515  -7.248
  281   HD23  LEU  38          HD23      LEU  38  78.060  -5.358  -8.603
  282    H    LEU  39           HN       LEU  39  79.749  -2.828  -5.659
  283    HA   LEU  39           HA       LEU  39  80.666  -0.073  -6.186
  284    HB2  LEU  39           HB2      LEU  39  82.587  -1.205  -4.542
  285    HB3  LEU  39           HB1      LEU  39  81.193  -0.347  -3.943
  286    HG   LEU  39           HG       LEU  39  79.949  -2.498  -3.874
  287   HD11  LEU  39          HD11      LEU  39  81.314  -3.733  -5.513
  288   HD12  LEU  39          HD12      LEU  39  81.281  -4.595  -3.978
  289   HD13  LEU  39          HD13      LEU  39  82.698  -3.653  -4.427
  290   HD21  LEU  39          HD21      LEU  39  82.403  -1.991  -2.221
  291   HD22  LEU  39          HD22      LEU  39  81.462  -3.455  -1.940
  292   HD23  LEU  39          HD23      LEU  39  80.703  -1.874  -1.763
  293    H    ASP  40           HN       ASP  40  83.136  -2.388  -5.641
  294    HA   ASP  40           HA       ASP  40  84.148  -2.110  -8.286
  295    HB2  ASP  40           HB2      ASP  40  85.501  -2.783  -6.201
  296    HB3  ASP  40           HB1      ASP  40  84.734  -4.363  -6.309
  297    H    ASP  41           HN       ASP  41  84.143  -4.141  -9.771
  298    HA   ASP  41           HA       ASP  41  81.497  -4.883 -10.297
  299    HB2  ASP  41           HB2      ASP  41  83.318  -4.783 -11.971
  300    HB3  ASP  41           HB1      ASP  41  84.017  -6.235 -11.263
  301    H    GLU  42           HN       GLU  42  81.762  -5.703  -7.638
  302    HA   GLU  42           HA       GLU  42  81.299  -8.605  -7.938
  303    HB2  GLU  42           HB2      GLU  42  83.187  -7.241  -6.028
  304    HB3  GLU  42           HB1      GLU  42  82.356  -8.704  -5.494
  305    HG2  GLU  42           HG2      GLU  42  83.340 -10.011  -7.234
  306    HG3  GLU  42           HG1      GLU  42  83.878  -8.584  -8.113
  307    HA   PRO  43           HA       PRO  43  77.547  -7.362  -5.826
  308    HB2  PRO  43           HB2      PRO  43  77.148  -9.890  -4.448
  309    HB3  PRO  43           HB1      PRO  43  76.312  -9.293  -5.889
  310    HG2  PRO  43           HG2      PRO  43  78.296 -11.351  -5.728
  311    HG3  PRO  43           HG1      PRO  43  77.425 -10.784  -7.156
  312    HD2  PRO  43           HD2      PRO  43  80.203 -10.344  -6.513
  313    HD3  PRO  43           HD1      PRO  43  79.302  -9.733  -7.912
  314    H    VAL  44           HN       VAL  44  77.112  -6.482  -3.791
  315    HA   VAL  44           HA       VAL  44  79.332  -6.544  -1.927
  316    HB   VAL  44           HB       VAL  44  76.758  -5.040  -1.590
  317   HG11  VAL  44          HG11      VAL  44  78.744  -5.221   0.146
  318   HG12  VAL  44          HG12      VAL  44  77.994  -3.661  -0.177
  319   HG13  VAL  44          HG13      VAL  44  79.525  -4.073  -0.934
  320   HG21  VAL  44          HG21      VAL  44  77.330  -4.456  -3.785
  321   HG22  VAL  44          HG22      VAL  44  79.050  -4.539  -3.462
  322   HG23  VAL  44          HG23      VAL  44  78.094  -3.202  -2.819
  323    H    ARG  45           HN       ARG  45  79.154  -8.650  -1.109
  324    HA   ARG  45           HA       ARG  45  77.505  -8.768   1.260
  325    HB2  ARG  45           HB2      ARG  45  77.242 -10.803  -0.958
  326    HB3  ARG  45           HB1      ARG  45  76.822 -11.170   0.719
  327    HG2  ARG  45           HG2      ARG  45  75.308  -9.153   0.706
  328    HG3  ARG  45           HG1      ARG  45  75.637  -8.985  -1.019
  329    HD2  ARG  45           HD2      ARG  45  74.724 -11.205  -1.430
  330    HD3  ARG  45           HD1      ARG  45  74.455 -11.422   0.297
  331    HE   ARG  45           HE       ARG  45  72.631  -9.960   0.179
  332   HH11  ARG  45          HH11      ARG  45  72.185 -11.272  -2.519
  333   HH12  ARG  45          HH12      ARG  45  71.952  -9.898  -3.545
  334   HH21  ARG  45          HH21      ARG  45  73.277  -7.636  -1.275
  335   HH22  ARG  45          HH22      ARG  45  72.566  -7.843  -2.841
  336    H    THR  46           HN       THR  46  79.161 -11.322  -0.479
  337    HA   THR  46           HA       THR  46  80.997 -12.598   0.102
  338    HB   THR  46           HB       THR  46  82.986 -11.390   0.390
  339    HG1  THR  46           HG1      THR  46  82.329  -8.986   1.132
  340   HG21  THR  46          HG21      THR  46  82.762  -9.412  -1.043
  341   HG22  THR  46          HG22      THR  46  81.014  -9.436  -0.820
  342   HG23  THR  46          HG23      THR  46  81.813 -10.756  -1.675
  343    H    SER  47           HN       SER  47  82.578 -11.191   2.615
  344    HA   SER  47           HA       SER  47  80.893 -12.447   4.702
  345    HB2  SER  47           HB2      SER  47  82.782 -13.932   3.775
  346    HB3  SER  47           HB1      SER  47  83.872 -12.833   4.613
  347    HG   SER  47           HG       SER  47  83.016 -14.757   5.792
  348    H    GLU  48           HN       GLU  48  83.227 -12.133   6.573
  349    HA   GLU  48           HA       GLU  48  82.483  -9.723   7.744
  350    HB2  GLU  48           HB2      GLU  48  85.095 -11.233   7.994
  351    HB3  GLU  48           HB1      GLU  48  84.642  -9.876   9.021
  352    HG2  GLU  48           HG2      GLU  48  83.918 -11.684  10.311
  353    HG3  GLU  48           HG1      GLU  48  82.443 -11.278   9.439
  354    H    ASN  49           HN       ASN  49  85.229 -10.331   5.577
  355    HA   ASN  49           HA       ASN  49  86.349  -7.749   5.690
  356    HB2  ASN  49           HB2      ASN  49  87.514  -8.301   3.620
  357    HB3  ASN  49           HB1      ASN  49  87.535  -9.676   4.717
  358   HD21  ASN  49          HD21      ASN  49  87.941 -10.848   2.542
  359   HD22  ASN  49          HD22      ASN  49  86.572 -11.335   1.665
  360    H    ALA  50           HN       ALA  50  83.306  -8.375   4.755
  361    HA   ALA  50           HA       ALA  50  82.681  -5.865   3.771
  362    HB1  ALA  50           HB1      ALA  50  83.669  -7.749   1.665
  363    HB2  ALA  50           HB2      ALA  50  83.825  -5.999   1.757
  364    HB3  ALA  50           HB3      ALA  50  82.298  -6.718   1.261
  365    H    GLU  51           HN       GLU  51  80.453  -5.686   3.690
  366    HA   GLU  51           HA       GLU  51  78.684  -7.664   2.818
  367    HB2  GLU  51           HB2      GLU  51  77.764  -8.338   5.105
  368    HB3  GLU  51           HB1      GLU  51  79.287  -9.077   4.625
  369    HG2  GLU  51           HG2      GLU  51  80.533  -7.436   5.938
  370    HG3  GLU  51           HG1      GLU  51  79.031  -6.611   6.354
  371    H    VAL  52           HN       VAL  52  76.478  -6.887   2.768
  372    HA   VAL  52           HA       VAL  52  76.182  -4.145   3.727
  373    HB   VAL  52           HB       VAL  52  74.347  -5.917   2.093
  374   HG11  VAL  52          HG11      VAL  52  73.005  -4.208   3.018
  375   HG12  VAL  52          HG12      VAL  52  73.453  -3.576   1.434
  376   HG13  VAL  52          HG13      VAL  52  74.285  -3.003   2.880
  377   HG21  VAL  52          HG21      VAL  52  75.280  -5.005   0.153
  378   HG22  VAL  52          HG22      VAL  52  76.703  -5.219   1.161
  379   HG23  VAL  52          HG23      VAL  52  75.976  -3.625   0.995
  380    H    VAL  53           HN       VAL  53  74.640  -3.510   5.166
  381    HA   VAL  53           HA       VAL  53  72.811  -5.454   6.362
  382    HB   VAL  53           HB       VAL  53  73.506  -4.869   8.668
  383   HG11  VAL  53          HG11      VAL  53  75.346  -6.387   8.736
  384   HG12  VAL  53          HG12      VAL  53  75.854  -5.955   7.104
  385   HG13  VAL  53          HG13      VAL  53  74.376  -6.887   7.350
  386   HG21  VAL  53          HG21      VAL  53  75.735  -3.452   7.170
  387   HG22  VAL  53          HG22      VAL  53  75.807  -3.822   8.895
  388   HG23  VAL  53          HG23      VAL  53  74.570  -2.727   8.278
  389    H    PHE  54           HN       PHE  54  71.093  -4.451   7.518
  390    HA   PHE  54           HA       PHE  54  70.998  -1.507   7.373
  391    HB2  PHE  54           HB2      PHE  54  68.730  -1.532   6.466
  392    HB3  PHE  54           HB1      PHE  54  69.852  -2.290   5.346
  393    HD1  PHE  54           HD2      PHE  54  67.119  -2.854   7.762
  394    HD2  PHE  54           HD1      PHE  54  69.703  -4.658   4.844
  395    HE1  PHE  54           HE2      PHE  54  65.685  -4.878   7.747
  396    HE2  PHE  54           HE1      PHE  54  68.265  -6.679   4.821
  397    HZ   PHE  54           HZ       PHE  54  66.249  -6.785   6.263
  398    H    PHE  55           HN       PHE  55  68.720  -0.872   8.404
  399    HA   PHE  55           HA       PHE  55  67.950  -2.494  10.661
  400    HB2  PHE  55           HB2      PHE  55  69.368   0.150  11.138
  401    HB3  PHE  55           HB1      PHE  55  68.631  -0.872  12.367
  402    HD1  PHE  55           HD1      PHE  55  69.570  -3.169  12.800
  403    HD2  PHE  55           HD2      PHE  55  71.559  -0.308  10.292
  404    HE1  PHE  55           HE1      PHE  55  71.680  -4.448  13.014
  405    HE2  PHE  55           HE2      PHE  55  73.672  -1.587  10.506
  406    HZ   PHE  55           HZ       PHE  55  73.735  -3.662  11.863
  407    H    GLU  56           HN       GLU  56  66.417  -1.006  12.082
  408    HA   GLU  56           HA       GLU  56  64.460   0.190  12.154
  409    HB2  GLU  56           HB2      GLU  56  65.977   1.845  10.133
  410    HB3  GLU  56           HB1      GLU  56  64.441   2.324  10.843
  411    HG2  GLU  56           HG2      GLU  56  65.420   2.219  13.082
  412    HG3  GLU  56           HG1      GLU  56  66.953   1.681  12.395
  413    H    ASN  57           HN       ASN  57  64.592  -2.063  10.407
  414    HA   ASN  57           HA       ASN  57  63.259  -3.147   8.886
  415    HB2  ASN  57           HB2      ASN  57  61.546  -0.656   8.883
  416    HB3  ASN  57           HB1      ASN  57  61.071  -2.284   8.414
  417   HD21  ASN  57          HD21      ASN  57  60.126  -0.421  10.688
  418   HD22  ASN  57          HD22      ASN  57  60.227  -1.397  12.074
  419    H    GLY  58           HN       GLY  58  65.494  -1.637   8.005
  420    HA2  GLY  58           HA2      GLY  58  66.469  -1.354   5.910
  421    HA3  GLY  58           HA1      GLY  58  64.889  -1.577   5.182
  422    H    LEU  59           HN       LEU  59  65.136   0.893   7.625
  423    HA   LEU  59           HA       LEU  59  64.656   2.933   5.583
  424    HB2  LEU  59           HB2      LEU  59  64.752   3.063   8.601
  425    HB3  LEU  59           HB1      LEU  59  64.428   4.449   7.568
  426    HG   LEU  59           HG       LEU  59  62.785   1.899   7.578
  427   HD11  LEU  59          HD11      LEU  59  62.367   4.579   8.920
  428   HD12  LEU  59          HD12      LEU  59  62.540   3.015   9.711
  429   HD13  LEU  59          HD13      LEU  59  61.103   3.363   8.752
  430   HD21  LEU  59          HD21      LEU  59  61.131   3.659   6.497
  431   HD22  LEU  59          HD22      LEU  59  62.360   2.897   5.494
  432   HD23  LEU  59          HD23      LEU  59  62.614   4.530   6.109
  433    H    ARG  60           HN       ARG  60  67.248   1.532   7.153
  434    HA   ARG  60           HA       ARG  60  69.026   3.789   6.424
  435    HB2  ARG  60           HB2      ARG  60  68.704   3.596   8.919
  436    HB3  ARG  60           HB1      ARG  60  69.420   1.986   8.825
  437    HG2  ARG  60           HG2      ARG  60  71.439   2.989   7.757
  438    HG3  ARG  60           HG1      ARG  60  70.729   4.588   7.993
  439    HD2  ARG  60           HD2      ARG  60  71.277   2.617  10.225
  440    HD3  ARG  60           HD1      ARG  60  72.338   3.958   9.799
  441    HE   ARG  60           HE       ARG  60  69.754   4.986  10.209
  442   HH11  ARG  60          HH11      ARG  60  71.795   2.986  12.104
  443   HH12  ARG  60          HH12      ARG  60  71.639   3.933  13.544
  444   HH21  ARG  60          HH21      ARG  60  69.782   6.431  12.016
  445   HH22  ARG  60          HH22      ARG  60  70.504   5.888  13.493
  446    H    HIS  61           HN       HIS  61  70.736   3.224   5.260
  447    HA   HIS  61           HA       HIS  61  71.271   0.331   4.803
  448    HB2  HIS  61           HB2      HIS  61  71.192   2.676   2.910
  449    HB3  HIS  61           HB1      HIS  61  72.210   1.289   2.545
  450    HD1  HIS  61           HD1      HIS  61  68.595   2.214   3.113
  451    HD2  HIS  61           HD2      HIS  61  70.824  -0.994   1.663
  452    HE1  HIS  61           HE1      HIS  61  66.939   0.592   2.098
  453    H    LEU  62           HN       LEU  62  73.006  -0.058   6.083
  454    HA   LEU  62           HA       LEU  62  75.323   1.782   5.903
  455    HB2  LEU  62           HB2      LEU  62  74.095   1.383   8.139
  456    HB3  LEU  62           HB1      LEU  62  74.783  -0.230   8.088
  457    HG   LEU  62           HG       LEU  62  76.608   2.147   7.726
  458   HD11  LEU  62          HD11      LEU  62  75.415   1.148  10.317
  459   HD12  LEU  62          HD12      LEU  62  75.442   2.798   9.701
  460   HD13  LEU  62          HD13      LEU  62  76.935   2.044  10.257
  461   HD21  LEU  62          HD21      LEU  62  77.681   0.020   7.424
  462   HD22  LEU  62          HD22      LEU  62  76.891  -0.661   8.849
  463   HD23  LEU  62          HD23      LEU  62  78.136   0.572   9.035
  464    H    LEU  63           HN       LEU  63  77.056   0.993   4.870
  465    HA   LEU  63           HA       LEU  63  77.355  -1.951   4.576
  466    HB2  LEU  63           HB2      LEU  63  76.952  -1.055   2.406
  467    HB3  LEU  63           HB1      LEU  63  78.018   0.315   2.691
  468    HG   LEU  63           HG       LEU  63  79.976  -1.187   2.716
  469   HD11  LEU  63          HD11      LEU  63  79.059  -3.202   3.631
  470   HD12  LEU  63          HD12      LEU  63  79.583  -3.587   1.996
  471   HD13  LEU  63          HD13      LEU  63  77.874  -3.328   2.334
  472   HD21  LEU  63          HD21      LEU  63  79.488  -0.331   0.571
  473   HD22  LEU  63          HD22      LEU  63  78.097  -1.396   0.373
  474   HD23  LEU  63          HD23      LEU  63  79.731  -2.060   0.330
  475    H    LEU  64           HN       LEU  64  78.998  -2.738   5.807
  476    HA   LEU  64           HA       LEU  64  81.218  -0.963   6.531
  477    HB2  LEU  64           HB2      LEU  64  79.959  -2.022   8.334
  478    HB3  LEU  64           HB1      LEU  64  80.227  -3.613   7.618
  479    HG   LEU  64           HG       LEU  64  82.666  -3.355   7.980
  480   HD11  LEU  64          HD11      LEU  64  83.122  -1.054   7.846
  481   HD12  LEU  64          HD12      LEU  64  83.314  -1.395   9.563
  482   HD13  LEU  64          HD13      LEU  64  81.831  -0.634   8.975
  483   HD21  LEU  64          HD21      LEU  64  80.886  -2.893  10.383
  484   HD22  LEU  64          HD22      LEU  64  82.594  -3.319  10.508
  485   HD23  LEU  64          HD23      LEU  64  81.458  -4.437   9.747
  486    H    LEU  65           HN       LEU  65  83.242  -1.303   5.878
  487    HA   LEU  65           HA       LEU  65  83.938  -3.817   4.448
  488    HB2  LEU  65           HB2      LEU  65  85.210  -1.080   4.157
  489    HB3  LEU  65           HB1      LEU  65  85.667  -2.532   3.274
  490    HG   LEU  65           HG       LEU  65  82.937  -1.205   3.164
  491   HD11  LEU  65          HD11      LEU  65  83.536  -0.324   1.060
  492   HD12  LEU  65          HD12      LEU  65  84.930  -1.393   0.908
  493   HD13  LEU  65          HD13      LEU  65  84.970  -0.047   2.045
  494   HD21  LEU  65          HD21      LEU  65  82.488  -3.452   2.665
  495   HD22  LEU  65          HD22      LEU  65  84.087  -3.714   1.964
  496   HD23  LEU  65          HD23      LEU  65  82.867  -2.816   1.065
  497    H    LYS  66           HN       LYS  66  86.554  -4.055   4.664
  498    HA   LYS  66           HA       LYS  66  87.605  -3.204   7.201
  499    HB2  LYS  66           HB2      LYS  66  86.191  -5.761   7.023
  500    HB3  LYS  66           HB1      LYS  66  87.867  -6.012   7.490
  501    HG2  LYS  66           HG2      LYS  66  87.630  -4.501   9.380
  502    HG3  LYS  66           HG1      LYS  66  86.010  -4.043   8.863
  503    HD2  LYS  66           HD2      LYS  66  85.734  -5.653  10.622
  504    HD3  LYS  66           HD1      LYS  66  85.346  -6.475   9.113
  505    HE2  LYS  66           HE2      LYS  66  87.406  -7.651   9.101
  506    HE3  LYS  66           HE1      LYS  66  88.120  -6.580  10.309
  507    HZ1  LYS  66           HZ1      LYS  66  86.700  -8.944  10.727
  508    HZ2  LYS  66           HZ2      LYS  66  85.766  -7.673  11.356
  509    HZ3  LYS  66           HZ3      LYS  66  87.363  -7.904  11.889
  510    H    ASN  67           HN       ASN  67  89.793  -4.436   7.574
  511    HA   ASN  67           HA       ASN  67  91.981  -4.405   6.692
  512    HB2  ASN  67           HB2      ASN  67  90.545  -6.674   5.296
  513    HB3  ASN  67           HB1      ASN  67  92.292  -6.454   5.236
  514   HD21  ASN  67          HD21      ASN  67  91.154  -8.775   6.479
  515   HD22  ASN  67          HD22      ASN  67  91.445  -8.686   8.147
  516    H    LEU  68           HN       LEU  68  90.617  -2.353   5.459
  517    HA   LEU  68           HA       LEU  68  90.507  -2.542   2.652
  518    HB2  LEU  68           HB2      LEU  68  90.706  -0.197   4.532
  519    HB3  LEU  68           HB1      LEU  68  90.516  -0.010   2.794
  520    HG   LEU  68           HG       LEU  68  88.653  -1.709   4.468
  521   HD11  LEU  68          HD11      LEU  68  88.716   0.794   5.104
  522   HD12  LEU  68          HD12      LEU  68  87.162   0.080   4.704
  523   HD13  LEU  68          HD13      LEU  68  87.998   1.076   3.518
  524   HD21  LEU  68          HD21      LEU  68  88.245  -2.348   2.275
  525   HD22  LEU  68          HD22      LEU  68  88.738  -0.796   1.609
  526   HD23  LEU  68          HD23      LEU  68  87.161  -0.965   2.368
  527    H    ARG  69           HN       ARG  69  92.132  -3.023   1.410
  528    HA   ARG  69           HA       ARG  69  94.836  -1.966   1.871
  529    HB2  ARG  69           HB2      ARG  69  93.621  -4.026   0.017
  530    HB3  ARG  69           HB1      ARG  69  95.241  -3.412  -0.276
  531    HG2  ARG  69           HG2      ARG  69  95.890  -4.100   2.017
  532    HG3  ARG  69           HG1      ARG  69  94.277  -4.762   2.255
  533    HD2  ARG  69           HD2      ARG  69  94.647  -6.276   0.311
  534    HD3  ARG  69           HD1      ARG  69  96.291  -5.658   0.183
  535    HE   ARG  69           HE       ARG  69  96.871  -6.997   1.975
  536   HH11  ARG  69          HH21      ARG  69  93.433  -6.521   1.890
  537   HH12  ARG  69          HH22      ARG  69  93.111  -7.658   3.158
  538   HH21  ARG  69          HH11      ARG  69  96.448  -8.430   3.683
  539   HH22  ARG  69          HH12      ARG  69  94.818  -8.703   4.197
  540    HA   PRO  70           HA       PRO  70  94.422   1.371  -1.017
  541    HB2  PRO  70           HB2      PRO  70  96.516   0.577  -2.856
  542    HB3  PRO  70           HB1      PRO  70  96.597   1.812  -1.587
  543    HG2  PRO  70           HG2      PRO  70  97.631  -0.933  -1.573
  544    HG3  PRO  70           HG1      PRO  70  98.057   0.432  -0.535
  545    HD2  PRO  70           HD2      PRO  70  96.609  -1.746   0.331
  546    HD3  PRO  70           HD1      PRO  70  96.503  -0.142   1.077
  547    H    GLN  71           HN       GLN  71  94.882  -1.884  -2.124
  548    HA   GLN  71           HA       GLN  71  93.981  -1.827  -4.741
  549    HB2  GLN  71           HB2      GLN  71  94.909  -3.818  -3.587
  550    HB3  GLN  71           HB1      GLN  71  93.430  -3.942  -2.643
  551    HG2  GLN  71           HG2      GLN  71  92.105  -4.325  -4.646
  552    HG3  GLN  71           HG1      GLN  71  93.512  -4.033  -5.669
  553   HE21  GLN  71          HE21      GLN  71  92.945  -6.342  -6.439
  554   HE22  GLN  71          HE22      GLN  71  93.602  -7.633  -5.555
  555    H    ASP  72           HN       ASP  72  92.011  -2.403  -1.785
  556    HA   ASP  72           HA       ASP  72  89.560  -2.702  -2.857
  557    HB2  ASP  72           HB2      ASP  72  90.527  -1.408  -0.323
  558    HB3  ASP  72           HB1      ASP  72  88.805  -1.412  -0.690
  559    H    SER  73           HN       SER  73  91.175   0.512  -2.339
  560    HA   SER  73           HA       SER  73  89.200   2.275  -2.690
  561    HB2  SER  73           HB2      SER  73  91.715   2.440  -4.347
  562    HB3  SER  73           HB1      SER  73  90.802   3.757  -3.616
  563    HG   SER  73           HG       SER  73  91.408   2.121  -1.667
  564    H    CYS  74           HN       CYS  74  87.494   2.263  -3.972
  565    HA   CYS  74           HA       CYS  74  87.807   2.207  -6.851
  566    HB2  CYS  74           HB2      CYS  74  86.616  -0.109  -5.352
  567    HB3  CYS  74           HB1      CYS  74  86.032   0.289  -6.967
  568    HG   CYS  74           HG       CYS  74  89.073   0.087  -6.868
  569    H    ARG  75           HN       ARG  75  85.300   1.787  -7.665
  570    HA   ARG  75           HA       ARG  75  83.885   4.169  -6.812
  571    HB2  ARG  75           HB2      ARG  75  84.058   3.346  -9.207
  572    HB3  ARG  75           HB1      ARG  75  82.979   2.026  -8.748
  573    HG2  ARG  75           HG2      ARG  75  81.329   3.744  -7.954
  574    HG3  ARG  75           HG1      ARG  75  82.375   4.992  -8.618
  575    HD2  ARG  75           HD2      ARG  75  80.780   4.554 -10.309
  576    HD3  ARG  75           HD1      ARG  75  82.238   3.700 -10.820
  577    HE   ARG  75           HE       ARG  75  80.652   1.945  -9.287
  578   HH11  ARG  75          HH11      ARG  75  80.620   3.667 -12.288
  579   HH12  ARG  75          HH12      ARG  75  79.685   2.470 -13.122
  580   HH21  ARG  75          HH21      ARG  75  79.444   0.367 -10.384
  581   HH22  ARG  75          HH22      ARG  75  79.021   0.602 -12.045
  582    H    VAL  76           HN       VAL  76  81.974   4.273  -5.643
  583    HA   VAL  76           HA       VAL  76  80.770   1.713  -4.749
  584    HB   VAL  76           HB       VAL  76  80.967   4.332  -3.259
  585   HG11  VAL  76          HG11      VAL  76  80.055   2.774  -1.385
  586   HG12  VAL  76          HG12      VAL  76  79.553   1.717  -2.703
  587   HG13  VAL  76          HG13      VAL  76  78.916   3.359  -2.597
  588   HG21  VAL  76          HG21      VAL  76  83.095   3.243  -3.234
  589   HG22  VAL  76          HG22      VAL  76  82.365   1.657  -2.989
  590   HG23  VAL  76          HG23      VAL  76  82.336   2.853  -1.691
  591    H    THR  77           HN       THR  77  78.685   1.421  -5.390
  592    HA   THR  77           HA       THR  77  77.008   3.817  -5.821
  593    HB   THR  77           HB       THR  77  76.159   2.923  -7.931
  594    HG1  THR  77           HG1      THR  77  77.501   1.153  -8.812
  595   HG21  THR  77          HG21      THR  77  78.153   3.317  -9.292
  596   HG22  THR  77          HG22      THR  77  79.179   3.019  -7.894
  597   HG23  THR  77          HG23      THR  77  78.139   4.434  -7.929
  598    H    PHE  78           HN       PHE  78  74.921   3.613  -5.281
  599    HA   PHE  78           HA       PHE  78  73.851   0.968  -4.500
  600    HB2  PHE  78           HB2      PHE  78  74.534   2.169  -2.471
  601    HB3  PHE  78           HB1      PHE  78  73.620   3.583  -2.979
  602    HD1  PHE  78           HD1      PHE  78  72.950  -0.123  -2.688
  603    HD2  PHE  78           HD2      PHE  78  71.620   3.874  -1.811
  604    HE1  PHE  78           HE1      PHE  78  70.961  -1.032  -1.522
  605    HE2  PHE  78           HE2      PHE  78  69.633   2.956  -0.659
  606    HZ   PHE  78           HZ       PHE  78  69.303   0.505  -0.512
  607    H    LEU  79           HN       LEU  79  72.055   0.556  -5.639
  608    HA   LEU  79           HA       LEU  79  70.657   2.799  -6.932
  609    HB2  LEU  79           HB2      LEU  79  71.631   0.898  -8.292
  610    HB3  LEU  79           HB1      LEU  79  70.388  -0.125  -7.584
  611    HG   LEU  79           HG       LEU  79  68.674   1.572  -8.419
  612   HD11  LEU  79          HD11      LEU  79  69.877   3.531  -8.903
  613   HD12  LEU  79          HD12      LEU  79  69.610   2.843 -10.498
  614   HD13  LEU  79          HD13      LEU  79  71.173   2.651  -9.707
  615   HD21  LEU  79          HD21      LEU  79  70.381  -0.155 -10.206
  616   HD22  LEU  79          HD22      LEU  79  69.045   0.772 -10.888
  617   HD23  LEU  79          HD23      LEU  79  68.733  -0.426  -9.636
  618    H    ALA  80           HN       ALA  80  69.316   3.422  -5.222
  619    HA   ALA  80           HA       ALA  80  67.242   1.509  -4.361
  620    HB1  ALA  80           HB1      ALA  80  67.985   4.285  -3.401
  621    HB2  ALA  80           HB2      ALA  80  68.291   2.761  -2.571
  622    HB3  ALA  80           HB3      ALA  80  66.638   3.342  -2.762
  623    H    GLY  81           HN       GLY  81  66.291   1.518  -6.506
  624    HA2  GLY  81           HA2      GLY  81  64.773   2.211  -8.094
  625    HA3  GLY  81           HA1      GLY  81  63.983   3.021  -6.742
  626    H    ASP  82           HN       ASP  82  63.364   4.754  -8.173
  627    HA   ASP  82           HA       ASP  82  64.825   6.231  -9.892
  628    HB2  ASP  82           HB2      ASP  82  62.431   6.657  -9.160
  629    HB3  ASP  82           HB1      ASP  82  63.095   7.569  -7.803
  630    H    MET  83           HN       MET  83  65.306   6.148  -6.434
  631    HA   MET  83           HA       MET  83  67.069   8.485  -6.515
  632    HB2  MET  83           HB2      MET  83  66.790   6.651  -4.145
  633    HB3  MET  83           HB1      MET  83  67.182   8.364  -4.189
  634    HG2  MET  83           HG2      MET  83  64.986   8.765  -3.748
  635    HG3  MET  83           HG1      MET  83  64.645   8.245  -5.396
  636    HE1  MET  83           HE1      MET  83  65.776   6.795  -2.042
  637    HE2  MET  83           HE2      MET  83  64.450   5.743  -1.553
  638    HE3  MET  83           HE3      MET  83  64.203   7.483  -1.617
  639    H    VAL  84           HN       VAL  84  69.165   8.412  -6.883
  640    HA   VAL  84           HA       VAL  84  70.640   5.872  -6.463
  641    HB   VAL  84           HB       VAL  84  70.391   6.024  -8.822
  642   HG11  VAL  84          HG11      VAL  84  71.114   8.958  -8.560
  643   HG12  VAL  84          HG12      VAL  84  69.507   8.319  -8.889
  644   HG13  VAL  84          HG13      VAL  84  70.794   8.120 -10.074
  645   HG21  VAL  84          HG21      VAL  84  73.019   7.464  -8.354
  646   HG22  VAL  84          HG22      VAL  84  72.651   6.241  -9.567
  647   HG23  VAL  84          HG23      VAL  84  72.784   5.785  -7.871
  648    H    THR  85           HN       THR  85  72.305   6.097  -5.158
  649    HA   THR  85           HA       THR  85  73.569   8.763  -4.833
  650    HB   THR  85           HB       THR  85  73.543   8.583  -2.517
  651    HG1  THR  85           HG1      THR  85  73.120   6.276  -1.694
  652   HG21  THR  85          HG21      THR  85  71.388   7.718  -1.761
  653   HG22  THR  85          HG22      THR  85  71.218   6.771  -3.233
  654   HG23  THR  85          HG23      THR  85  71.175   8.535  -3.310
  655    H    SER  86           HN       SER  86  75.727   8.749  -5.159
  656    HA   SER  86           HA       SER  86  77.255   6.266  -4.823
  657    HB2  SER  86           HB2      SER  86  76.918   7.708  -7.457
  658    HB3  SER  86           HB1      SER  86  78.260   6.615  -7.133
  659    HG   SER  86           HG       SER  86  75.651   5.775  -6.564
  660    H    ALA  87           HN       ALA  87  79.370   6.594  -4.331
  661    HA   ALA  87           HA       ALA  87  80.582   9.242  -4.676
  662    HB1  ALA  87           HB1      ALA  87  81.054   9.565  -2.370
  663    HB2  ALA  87           HB2      ALA  87  80.490   7.952  -1.945
  664    HB3  ALA  87           HB3      ALA  87  79.338   9.185  -2.454
  665    H    PHE  88           HN       PHE  88  82.898   9.224  -4.236
  666    HA   PHE  88           HA       PHE  88  84.101   6.725  -5.071
  667    HB2  PHE  88           HB2      PHE  88  84.700   8.955  -6.025
  668    HB3  PHE  88           HB1      PHE  88  85.410   9.389  -4.475
  669    HD1  PHE  88           HD1      PHE  88  85.498   6.536  -6.929
  670    HD2  PHE  88           HD2      PHE  88  87.712   9.073  -4.262
  671    HE1  PHE  88           HE1      PHE  88  87.608   5.430  -7.627
  672    HE2  PHE  88           HE2      PHE  88  89.808   7.973  -4.954
  673    HZ   PHE  88           HZ       PHE  88  89.764   6.151  -6.642
  674    H    LEU  89           HN       LEU  89  86.298   6.188  -4.029
  675    HA   LEU  89           HA       LEU  89  86.257   6.473  -1.086
  676    HB2  LEU  89           HB2      LEU  89  85.212   4.234  -1.965
  677    HB3  LEU  89           HB1      LEU  89  86.874   3.792  -2.337
  678    HG   LEU  89           HG       LEU  89  85.992   4.746   0.405
  679   HD11  LEU  89          HD11      LEU  89  85.894   2.448   1.118
  680   HD12  LEU  89          HD12      LEU  89  86.381   1.888  -0.482
  681   HD13  LEU  89          HD13      LEU  89  84.808   2.654  -0.261
  682   HD21  LEU  89          HD21      LEU  89  88.191   3.091   0.720
  683   HD22  LEU  89          HD22      LEU  89  88.239   4.844   0.692
  684   HD23  LEU  89          HD23      LEU  89  88.566   3.934  -0.780
  685    H    THR  90           HN       THR  90  88.317   6.424  -0.155
  686    HA   THR  90           HA       THR  90  90.648   6.164  -1.962
  687    HB   THR  90           HB       THR  90  91.614   8.182  -0.762
  688    HG1  THR  90           HG1      THR  90  89.466   7.868   0.655
  689   HG21  THR  90          HG21      THR  90  90.139   9.809  -2.085
  690   HG22  THR  90          HG22      THR  90  89.206   8.392  -2.571
  691   HG23  THR  90          HG23      THR  90  90.912   8.517  -3.001
  692    H    VAL  91           HN       VAL  91  92.180   4.871  -1.080
  693    HA   VAL  91           HA       VAL  91  92.449   4.806   1.869
  694    HB   VAL  91           HB       VAL  91  92.669   2.332   0.163
  695   HG11  VAL  91          HG11      VAL  91  92.783   1.167   2.228
  696   HG12  VAL  91          HG12      VAL  91  92.204   2.560   3.138
  697   HG13  VAL  91          HG13      VAL  91  93.829   2.568   2.453
  698   HG21  VAL  91          HG21      VAL  91  90.306   3.522   1.610
  699   HG22  VAL  91          HG22      VAL  91  90.437   1.782   1.352
  700   HG23  VAL  91          HG23      VAL  91  90.398   2.870  -0.023
  701    H    ARG  92           HN       ARG  92  94.419   5.502   2.347
  702    HA   ARG  92           HA       ARG  92  96.651   4.856   0.497
  703    HB2  ARG  92           HB2      ARG  92  96.351   7.153   2.448
  704    HB3  ARG  92           HB1      ARG  92  97.795   6.811   1.503
  705    HG2  ARG  92           HG2      ARG  92  96.787   8.344   0.089
  706    HG3  ARG  92           HG1      ARG  92  96.059   6.868  -0.536
  707    HD2  ARG  92           HD2      ARG  92  94.078   7.235   0.871
  708    HD3  ARG  92           HD1      ARG  92  94.813   8.679   1.555
  709    HE   ARG  92           HE       ARG  92  93.615   8.425  -1.085
  710   HH11  ARG  92          HH11      ARG  92  93.279  10.768   0.837
  711   HH12  ARG  92          HH12      ARG  92  94.204  11.999   0.045
  712   HH21  ARG  92          HH21      ARG  92  95.866   9.780  -2.043
  713   HH22  ARG  92          HH22      ARG  92  95.681  11.438  -1.579
  714    H    GLY  93           HN       GLY  93  98.654   4.333   1.368
  715    HA2  GLY  93           HA2      GLY  93  98.629   3.350   4.168
  716    HA3  GLY  93           HA1      GLY  93  99.319   2.419   2.842
  717    H    GLY  94           HN       GLY  94  99.761   5.765   2.447
  718    HA2  GLY  94           HA2      GLY  94 102.616   5.487   2.819
  719    HA3  GLY  94           HA1      GLY  94 101.776   6.923   2.251
  720    H    LEU  95           HN       LEU  95 103.845   7.251   3.994
  721    HA   LEU  95           HA       LEU  95 102.865   7.404   6.734
  722    HB2  LEU  95           HB2      LEU  95 105.481   8.435   5.608
  723    HB3  LEU  95           HB1      LEU  95 105.092   8.147   7.303
  724    HG   LEU  95           HG       LEU  95 105.224   6.020   5.140
  725   HD11  LEU  95          HD11      LEU  95 107.203   5.250   6.521
  726   HD12  LEU  95          HD12      LEU  95 107.104   6.781   7.391
  727   HD13  LEU  95          HD13      LEU  95 107.453   6.769   5.660
  728   HD21  LEU  95          HD21      LEU  95 105.177   4.506   7.227
  729   HD22  LEU  95          HD22      LEU  95 103.652   5.259   6.768
  730   HD23  LEU  95          HD23      LEU  95 104.599   5.924   8.101
  731    H    GLU  96           HN       GLU  96 104.357   9.811   7.417
  732    HA   GLU  96           HA       GLU  96 102.248  11.725   6.922
  733    HB2  GLU  96           HB2      GLU  96 104.911  12.084   8.327
  734    HB3  GLU  96           HB1      GLU  96 103.586  13.244   8.331
  735    HG2  GLU  96           HG2      GLU  96 103.216  12.089  10.331
  736    HG3  GLU  96           HG1      GLU  96 102.151  11.241   9.215
  737    H    HIS  97           HN       HIS  97 102.125  13.117   5.314
  738    HA   HIS  97           HA       HIS  97 104.249  13.312   3.382
  739    HB2  HIS  97           HB2      HIS  97 101.567  14.684   3.613
  740    HB3  HIS  97           HB1      HIS  97 102.673  14.905   2.256
  741    HD1  HIS  97           HD1      HIS  97 103.410  12.541   1.051
  742    HD2  HIS  97           HD2      HIS  97  99.926  12.475   3.332
  743    HE1  HIS  97           HE1      HIS  97 102.109  10.492   0.311
  744    H    HIS  98           HN       HIS  98 102.766  15.549   5.725
  745    HA   HIS  98           HA       HIS  98 105.252  17.091   5.789
  746    HB2  HIS  98           HB2      HIS  98 103.958  18.194   4.015
  747    HB3  HIS  98           HB1      HIS  98 102.586  18.356   5.113
  748    HD1  HIS  98           HD1      HIS  98 106.254  19.415   4.931
  749    HD2  HIS  98           HD2      HIS  98 102.655  20.660   6.634
  750    HE1  HIS  98           HE1      HIS  98 106.706  21.660   6.006
  751    H    HIS  99           HN       HIS  99 102.726  15.632   7.337
  752    HA   HIS  99           HA       HIS  99 102.406  17.525   9.511
  753    HB2  HIS  99           HB2      HIS  99 101.471  14.667   9.179
  754    HB3  HIS  99           HB1      HIS  99 101.098  15.670  10.580
  755    HD1  HIS  99           HD1      HIS  99  99.749  17.974   9.995
  756    HD2  HIS  99           HD2      HIS  99  99.730  15.020   7.048
  757    HE1  HIS  99           HE1      HIS  99  97.855  18.548   8.411
  758    H    HIS 100           HN       HIS 100 104.022  17.809  10.908
  759    HA   HIS 100           HA       HIS 100 105.488  15.425  11.903
  760    HB2  HIS 100           HB2      HIS 100 106.517  18.185  11.219
  761    HB3  HIS 100           HB1      HIS 100 107.370  17.135  12.350
  762    HD1  HIS 100           HD1      HIS 100 106.491  17.488   8.725
  763    HD2  HIS 100           HD2      HIS 100 108.565  14.814  11.160
  764    HE1  HIS 100           HE1      HIS 100 107.682  15.882   7.174
  765    H    HIS 101           HN       HIS 101 105.722  15.256  14.069
  766    HA   HIS 101           HA       HIS 101 105.026  17.463  15.839
  767    HB2  HIS 101           HB2      HIS 101 103.326  16.108  17.057
  768    HB3  HIS 101           HB1      HIS 101 102.820  16.528  15.421
  769    HD1  HIS 101           HD1      HIS 101 103.264  14.577  13.567
  770    HD2  HIS 101           HD2      HIS 101 103.335  13.379  17.557
  771    HE1  HIS 101           HE1      HIS 101 102.983  12.062  13.567
  772    H    HIS 102           HN       HIS 102 105.595  17.035  18.049
  773    HA   HIS 102           HA       HIS 102 107.984  15.509  18.302
  774    HB2  HIS 102           HB2      HIS 102 107.867  16.122  20.681
  775    HB3  HIS 102           HB1      HIS 102 107.525  17.525  19.662
  776    HD1  HIS 102           HD1      HIS 102 105.152  18.497  19.718
  777    HD2  HIS 102           HD2      HIS 102 105.553  15.030  21.988
  778    HE1  HIS 102           HE1      HIS 102 102.991  18.240  21.000