*HEADER   CYTOKINE                                14-DEC-95   1JLI    
*TITLE    HUMAN INTERLEUKIN 3 (IL-3) MUTANT WITH TRUNCATION AT BOTH   
*TITLE   2 N- AND C-TERMINI AND 14 RESIDUE CHANGES, NMR, MINIMIZED    
*TITLE   3 AVERAGE STRUCTURE                                          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: INTERLEUKIN 3;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: MULTI-CSF;                                        
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: DEL(1-13), V14A, N18I, T25H, Q29R, L32N, F37P,   
*COMPND  7 G42S, Q45M, N51R, R55T, E59L, N62V, S67H, Q69E,            
*COMPND  8 DEL(126-133)                                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  4 STRAIN: JM101;                                             
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI JM101;                 
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PMON 13302                      
*KEYWDS   HEMATOPOIETIC GROWTH FACTOR, COLONY-STIMULATING FACTOR,     
*KEYWDS  2 CYTOKINE                                                   
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   Y.FENG,B.K.KLEIN,C.A.MCWHERTER                              
*REVDAT  1   16-JUN-97 1JLI    0                                      

! NMR constraint file used to calculate the solution structure of
! an interleukin-3 variant SC-65369 (Y.Feng, B.K.Klein, & C.A.McWherter)
!
assign (resid 52 and name hn ) (resid 51 and name hn ) 3.400 1.600 1.600
assign (resid 93 and name hn ) (resid 94 and name hn ) 2.650 0.850 0.850
assign (resid 89 and name hn ) (resid 90 and name hn ) 2.250 0.450 0.450
assign (resid 108 and name hn ) (resid 109 and name hn ) 2.650 0.850 0.850
assign (resid 16 and name hn ) (resid 17 and name hn ) 2.650 0.850 0.850
assign (resid 88 and name hn ) (resid 87 and name hn ) 3.900 2.100 2.100
assign (resid 116 and name hn ) (resid 115 and name hn ) 3.900 2.100 2.100
assign (resid 73 and name hn ) (resid 72 and name hn ) 3.400 1.600 1.600
assign (resid 73 and name hn ) (resid 74 and name hn ) 2.650 0.850 0.850
assign (resid 17 and name hn ) (resid 18 and name hn ) 2.250 0.450 0.450
assign (resid 59 and name hn ) (resid 60 and name hn ) 2.650 0.850 0.850
assign (resid 59 and name hn ) (resid 58 and name hn ) 2.650 0.850 0.850
assign (resid 43 and name hn ) (resid 44 and name hn ) 2.650 0.850 0.850
assign (resid 48 and name hn ) (resid 49 and name hn ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 85 and name hn ) 2.250 0.450 0.450
assign (resid 124 and name hn ) (resid 123 and name hn ) 2.650 0.850 0.850
assign (resid 124 and name hn ) (resid 125 and name hn ) 3.900 2.100 2.100
assign (resid 63 and name hn ) (resid 62 and name hn ) 2.650 0.850 0.850
assign (resid 112 and name hn ) (resid 111 and name hn ) 2.650 0.850 0.850
assign (resid 75 and name hn ) (resid 74 and name hn ) 2.250 0.450 0.450
assign (resid 75 and name hn ) (resid 76 and name hn ) 2.250 0.450 0.450
assign (resid 123 and name hn ) (resid 122 and name hn ) 2.650 0.850 0.850
assign (resid 49 and name hn ) (resid 50 and name hn ) 2.250 0.450 0.450
assign (resid 54 and name hn ) (resid 53 and name hn ) 2.650 0.850 0.850
assign (resid 61 and name hn ) (resid 62 and name hn ) 2.250 0.450 0.450
assign (resid 61 and name hn ) (resid 60 and name hn ) 2.250 0.450 0.450
assign (resid 21 and name hn ) (resid 22 and name hn ) 2.250 0.450 0.450
assign (resid 121 and name hn ) (resid 120 and name hn ) 2.250 0.450 0.450
assign (resid 19 and name hn ) (resid 20 and name hn ) 2.250 0.450 0.450
assign (resid 119 and name hn ) (resid 118 and name hn ) 2.650 0.850 0.850
assign (resid 19 and name hn ) (resid 18 and name hn ) 2.250 0.450 0.450
assign (resid 79 and name hn ) (resid 80 and name hn ) 2.650 0.850 0.850
assign (resid 81 and name hn ) (resid 82 and name hn ) 2.250 0.450 0.450
assign (resid 67 and name hn ) (resid 68 and name hn ) 2.650 0.850 0.850
assign (resid 117 and name hn ) (resid 118 and name hn ) 2.650 0.850 0.850
assign (resid 66 and name hn ) (resid 65 and name hn ) 2.250 0.450 0.450
assign (resid 115 and name ha ) (resid 119 and name hn ) 3.900 2.100 2.100
assign (resid 65 and name ha ) (resid 68 and name hn ) 3.900 2.100 2.100
assign (resid 59 and name ha ) (resid 63 and name hn ) 3.900 2.100 2.100
assign (resid 113 and name ha ) (resid 117 and name hn ) 3.900 2.100 2.100
assign (resid 104 and name ha ) (resid 107 and name hb* ) 3.900 2.100 2.100
assign (resid 81 and name ha ) (resid 84 and name hb* ) 3.900 2.100 2.100
assign (resid 65 and name hb ) (resid 65 and name hn ) 2.650 0.850 0.850
assign (resid 20 and name hg1* ) (resid 20 and name hn ) 3.400 1.600 1.600
assign (resid 109 and name hb* ) (resid 109 and name ha ) 2.650 0.850 0.850
assign (resid 29 and name hb* ) (resid 30 and name hd* ) 3.400 1.600 1.600
assign (resid 65 and name hb ) (resid 65 and name ha ) 3.400 1.600 1.600
assign (resid 110 and name hd* ) (resid 110 and name hb* ) 2.250 0.450 0.450
assign (resid 65 and name hb ) (resid 65 and name hg* ) 2.900 1.100 1.100
assign (resid 65 and name hb ) (resid 65 and name hg* ) 2.900 1.100 1.100
assign (resid 20 and name hg1* ) (resid 20 and name hd* ) 2.500 0.700 0.700
assign (resid 51 and name hb* ) (resid 51 and name hn ) 3.400 1.600 1.600
assign (resid 51 and name hb* ) (resid 51 and name hn ) 3.400 1.600 1.600
assign (resid 69 and name hb* ) (resid 69 and name hn ) 2.650 0.850 0.850
assign (resid 90 and name ha ) (resid 91 and name hn ) 2.650 0.850 0.850
assign (resid 63 and name hb* ) (resid 63 and name hn ) 2.650 0.850 0.850
assign (resid 90 and name ha ) (resid 91 and name hn ) 3.400 1.600 1.600
assign (resid 63 and name hb* ) (resid 64 and name hn ) 2.650 0.850 0.850
assign (resid 37 and name hd* ) (resid 37 and name ha ) 2.650 0.850 0.850
assign (resid 69 and name hb* ) (resid 69 and name ha ) 2.650 0.850 0.850
assign (resid 51 and name hb* ) (resid 51 and name ha ) 2.650 0.850 0.850
assign (resid 51 and name hb* ) (resid 51 and name ha ) 2.650 0.850 0.850
assign (resid 32 and name ha ) (resid 33 and name hd* ) 2.650 0.850 0.850
assign (resid 114 and name hd* ) (resid 114 and name hb* ) 3.650 1.850 1.850
assign (resid 51 and name hb* ) (resid 51 and name hd* ) 2.650 0.850 0.850
assign (resid 63 and name hb* ) (resid 63 and name hd* ) 2.650 0.850 0.850
assign (resid 51 and name hb* ) (resid 51 and name hd* ) 2.650 0.850 0.850
assign (resid 32 and name ha ) (resid 32 and name hb* ) 2.650 0.850 0.850
assign (resid 51 and name hb* ) (resid 51 and name hg* ) 2.650 0.850 0.850
assign (resid 110 and name hd* ) (resid 110 and name hb* ) 3.400 1.600 1.600
assign (resid 90 and name ha ) (resid 90 and name hb* ) 2.900 1.100 1.100
assign (resid 106 and name hb* ) (resid 106 and name hn ) 3.400 1.600 1.600
assign (resid 98 and name hb* ) (resid 98 and name hn ) 3.400 1.600 1.600
assign (resid 79 and name hd* ) (resid 79 and name hn ) 3.900 2.100 2.100
assign (resid 83 and name hd* ) (resid 82 and name hn ) 3.400 1.600 1.600
assign (resid 83 and name hd* ) (resid 82 and name hn ) 3.400 1.600 1.600
assign (resid 92 and name hd* ) (resid 92 and name ha ) 2.650 0.850 0.850
assign (resid 98 and name hb* ) (resid 98 and name ha ) 2.650 0.850 0.850
assign (resid 91 and name ha ) (resid 92 and name hd* ) 3.900 2.100 2.100
assign (resid 91 and name ha ) (resid 92 and name hd* ) 3.400 1.600 1.600
assign (resid 75 and name hb* ) (resid 75 and name ha ) 3.400 1.600 1.600
assign (resid 79 and name hd* ) (resid 79 and name ha ) 3.400 1.600 1.600
assign (resid 96 and name hd* ) (resid 95 and name hb* ) 2.650 0.850 0.850
assign (resid 24 and name hg1* ) (resid 24 and name ha ) 3.400 1.600 1.600
assign (resid 100 and name hd* ) (resid 100 and name he* ) 2.650 0.850 0.850
assign (resid 79 and name hd* ) (resid 79 and name he* ) 3.400 1.600 1.600
assign (resid 83 and name hd* ) (resid 83 and name hb* ) 3.400 1.600 1.600
assign (resid 92 and name hd* ) (resid 92 and name hg* ) 2.650 0.850 0.850
assign (resid 83 and name hd* ) (resid 83 and name hg* ) 2.250 0.450 0.450
assign (resid 79 and name hd* ) (resid 75 and name hg* ) 2.650 0.850 0.850
assign (resid 24 and name hg1* ) (resid 24 and name hb ) 2.650 0.850 0.850
assign (resid 83 and name hd* ) (resid 82 and name hb* ) 2.250 0.450 0.450
assign (resid 83 and name hd* ) (resid 82 and name hb* ) 2.250 0.450 0.450
assign (resid 79 and name hd* ) (resid 79 and name hb* ) 2.250 0.450 0.450
assign (resid 100 and name hd* ) (resid 100 and name hg* ) 2.250 0.450 0.450
assign (resid 91 and name ha ) (resid 91 and name hb* ) 3.650 1.850 1.850
assign (resid 92 and name hd* ) (resid 91 and name hb* ) 3.650 1.850 1.850
assign (resid 92 and name hd* ) (resid 91 and name hb* ) 3.650 1.850 1.850
assign (resid 79 and name hd* ) (resid 79 and name hg* ) 2.250 0.450 0.450
assign (resid 100 and name hd* ) (resid 100 and name hg* ) 2.650 0.850 0.850
assign (resid 22 and name hb* ) (resid 22 and name hn ) 3.400 1.600 1.600
assign (resid 22 and name hb* ) (resid 22 and name hn ) 3.400 1.600 1.600
assign (resid 43 and name hb* ) (resid 43 and name hn ) 2.650 0.850 0.850
assign (resid 119 and name hb* ) (resid 119 and name hn ) 2.650 0.850 0.850
assign (resid 67 and name hb* ) (resid 67 and name hn ) 3.400 1.600 1.600
assign (resid 50 and name hb* ) (resid 50 and name hn ) 3.400 1.600 1.600
assign (resid 50 and name hb* ) (resid 50 and name hn ) 3.400 1.600 1.600
assign (resid 66 and name hd* ) (resid 66 and name hn ) 2.250 0.450 0.450
assign (resid 67 and name hb* ) (resid 67 and name ha ) 3.900 2.100 2.100
assign (resid 96 and name hd* ) (resid 95 and name ha ) 2.650 0.850 0.850
assign (resid 96 and name hd* ) (resid 95 and name ha ) 3.400 1.600 1.600
assign (resid 61 and name hd* ) (resid 61 and name ha ) 3.650 1.850 1.850
assign (resid 61 and name hd* ) (resid 58 and name ha ) 3.650 1.850 1.850
assign (resid 22 and name hb* ) (resid 22 and name ha ) 3.400 1.600 1.600
assign (resid 122 and name hb* ) (resid 122 and name ha ) 2.650 0.850 0.850
assign (resid 122 and name hb* ) (resid 122 and name ha ) 2.650 0.850 0.850
assign (resid 119 and name hb* ) (resid 119 and name ha ) 2.650 0.850 0.850
assign (resid 50 and name hb* ) (resid 50 and name ha ) 3.400 1.600 1.600
assign (resid 50 and name hb* ) (resid 50 and name ha ) 2.650 0.850 0.850
assign (resid 43 and name hb* ) (resid 43 and name ha ) 2.650 0.850 0.850
assign (resid 66 and name hd* ) (resid 66 and name ha ) 2.650 0.850 0.850
assign (resid 61 and name hd* ) (resid 61 and name hb* ) 3.650 1.850 1.850
assign (resid 61 and name hd* ) (resid 61 and name hb* ) 3.650 1.850 1.850
assign (resid 22 and name hb* ) (resid 22 and name hg* ) 2.650 0.850 0.850
assign (resid 119 and name hb* ) (resid 119 and name hg* ) 2.250 0.450 0.450
assign (resid 86 and name hd* ) (resid 86 and name hb* ) 3.400 1.600 1.600
assign (resid 86 and name hd* ) (resid 86 and name hg* ) 2.650 0.850 0.850
assign (resid 86 and name hd* ) (resid 86 and name hg* ) 3.400 1.600 1.600
assign (resid 86 and name hd* ) (resid 86 and name hb* ) 2.650 0.850 0.850
assign (resid 86 and name hd* ) (resid 85 and name hb* ) 3.900 2.100 2.100
assign (resid 86 and name hd* ) (resid 85 and name hd* ) 3.650 1.850 1.850
assign (resid 18 and name hg1* ) (resid 18 and name hg2* ) 2.900 1.100 1.100
assign (resid 97 and name hg1* ) (resid 97 and name hg2* ) 3.650 1.850 1.850
assign (resid 97 and name hg1* ) (resid 97 and name hg2* ) 2.900 1.100 1.100
assign (resid 56 and name hd* ) (resid 55 and name hn ) 3.400 1.600 1.600
assign (resid 56 and name hd* ) (resid 55 and name hn ) 3.400 1.600 1.600
assign (resid 25 and name hb* ) (resid 25 and name hn ) 2.650 0.850 0.850
assign (resid 18 and name hg1* ) (resid 18 and name hn ) 3.400 1.600 1.600
assign (resid 18 and name hg1* ) (resid 18 and name hn ) 3.400 1.600 1.600
assign (resid 95 and name hb* ) (resid 95 and name ha ) 2.650 0.850 0.850
assign (resid 56 and name hd* ) (resid 53 and name ha ) 3.400 1.600 1.600
assign (resid 56 and name hd* ) (resid 55 and name hb ) 3.400 1.600 1.600
assign (resid 25 and name hb* ) (resid 25 and name ha ) 2.650 0.850 0.850
assign (resid 56 and name hd* ) (resid 55 and name hb ) 3.400 1.600 1.600
assign (resid 56 and name hg* ) (resid 53 and name ha ) 3.400 1.600 1.600
assign (resid 25 and name hb* ) (resid 22 and name ha ) 2.650 0.850 0.850
assign (resid 56 and name hg* ) (resid 56 and name ha ) 3.400 1.600 1.600
assign (resid 63 and name hg* ) (resid 63 and name ha ) 2.650 0.850 0.850
assign (resid 99 and name hg1* ) (resid 99 and name ha ) 2.650 0.850 0.850
assign (resid 56 and name hg* ) (resid 56 and name hd* ) 3.400 1.600 1.600
assign (resid 77 and name hg1* ) (resid 77 and name ha ) 3.400 1.600 1.600
assign (resid 18 and name hg1* ) (resid 18 and name ha ) 3.400 1.600 1.600
assign (resid 56 and name hg* ) (resid 56 and name hd* ) 3.400 1.600 1.600
assign (resid 109 and name hg* ) (resid 109 and name he* ) 2.650 0.850 0.850
assign (resid 56 and name hg* ) (resid 56 and name hb* ) 2.650 0.850 0.850
assign (resid 56 and name hg* ) (resid 56 and name hb* ) 3.400 1.600 1.600
assign (resid 89 and name ha ) (resid 89 and name hg2* ) 2.900 1.100 1.100
assign (resid 93 and name hb ) (resid 93 and name hg2* ) 2.900 1.100 1.100
assign (resid 56 and name hd* ) (resid 55 and name hg2* ) 4.150 2.350 2.350
assign (resid 99 and name hg1* ) (resid 99 and name hb ) 2.650 0.850 0.850
assign (resid 99 and name hg1* ) (resid 99 and name hb ) 3.400 1.600 1.600
assign (resid 99 and name hg1* ) (resid 99 and name hg2* ) 2.900 1.100 1.100
assign (resid 99 and name hg1* ) (resid 99 and name hd* ) 2.900 1.100 1.100
assign (resid 99 and name hg1* ) (resid 99 and name hd* ) 3.650 1.850 1.850
assign (resid 55 and name ha ) (resid 55 and name hn ) 3.900 2.100 2.100
assign (resid 48 and name hg ) (resid 48 and name hn ) 3.400 1.600 1.600
assign (resid 54 and name hg* ) (resid 54 and name hn ) 3.400 1.600 1.600
assign (resid 77 and name hg1* ) (resid 77 and name hn ) 2.650 0.850 0.850
assign (resid 77 and name hg1* ) (resid 77 and name hn ) 3.400 1.600 1.600
assign (resid 111 and name hd* ) (resid 107 and name he* ) 4.400 2.600 2.600
assign (resid 55 and name ha ) (resid 55 and name hb ) 2.650 0.850 0.850
assign (resid 86 and name hg* ) (resid 86 and name ha ) 2.650 0.850 0.850
assign (resid 96 and name hg* ) (resid 96 and name ha ) 3.400 1.600 1.600
assign (resid 109 and name hg* ) (resid 109 and name ha ) 2.650 0.850 0.850
assign (resid 63 and name hg* ) (resid 63 and name ha ) 3.400 1.600 1.600
assign (resid 77 and name hg1* ) (resid 77 and name ha ) 3.400 1.600 1.600
assign (resid 96 and name hg* ) (resid 96 and name hd* ) 2.650 0.850 0.850
assign (resid 96 and name hg* ) (resid 96 and name hd* ) 2.650 0.850 0.850
assign (resid 86 and name hg* ) (resid 86 and name hd* ) 3.400 1.600 1.600
assign (resid 63 and name hg* ) (resid 63 and name hd* ) 2.650 0.850 0.850
assign (resid 63 and name hg* ) (resid 63 and name hd* ) 3.400 1.600 1.600
assign (resid 83 and name hg* ) (resid 83 and name hb* ) 2.650 0.850 0.850
assign (resid 58 and name hg ) (resid 58 and name hb* ) 2.650 0.850 0.850
assign (resid 115 and name hd* ) (resid 115 and name hg ) 2.900 1.100 1.100
assign (resid 86 and name hg* ) (resid 86 and name hb* ) 2.250 0.450 0.450
assign (resid 55 and name ha ) (resid 55 and name hg2* ) 2.900 1.100 1.100
assign (resid 48 and name hg ) (resid 48 and name hd* ) 2.900 1.100 1.100
assign (resid 115 and name hd* ) (resid 115 and name hb* ) 3.650 1.850 1.850
assign (resid 77 and name hg1* ) (resid 77 and name hd* ) 2.900 1.100 1.100
assign (resid 77 and name hg1* ) (resid 77 and name hd* ) 2.900 1.100 1.100
assign (resid 111 and name hd* ) (resid 111 and name hg ) 2.900 1.100 1.100
assign (resid 117 and name hb ) (resid 117 and name hg2* ) 2.900 1.100 1.100
assign (resid 111 and name hd* ) (resid 111 and name hb* ) 2.500 0.700 0.700
assign (resid 115 and name hd* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 59 and name hg ) (resid 59 and name hn ) 3.400 1.600 1.600
assign (resid 94 and name hg* ) (resid 95 and name hn ) 3.400 1.600 1.600
assign (resid 85 and name hg ) (resid 85 and name hn ) 2.650 0.850 0.850
assign (resid 94 and name hg* ) (resid 94 and name hn ) 3.400 1.600 1.600
assign (resid 53 and name hd* ) (resid 53 and name hn ) 4.150 2.350 2.350
assign (resid 53 and name hd* ) (resid 57 and name hd2* ) 4.150 2.350 2.350
assign (resid 33 and name hg* ) (resid 33 and name ha ) 2.650 0.850 0.850
assign (resid 94 and name hg* ) (resid 94 and name ha ) 2.650 0.850 0.850
assign (resid 112 and name ha ) (resid 112 and name hb ) 2.650 0.850 0.850
assign (resid 51 and name hg* ) (resid 51 and name ha ) 3.400 1.600 1.600
assign (resid 92 and name hg* ) (resid 92 and name hd* ) 2.650 0.850 0.850
assign (resid 113 and name hd* ) (resid 113 and name hb* ) 3.650 1.850 1.850
assign (resid 107 and name he* ) (resid 107 and name hb* ) 3.650 1.850 1.850
assign (resid 51 and name hg* ) (resid 51 and name hd* ) 2.650 0.850 0.850
assign (resid 51 and name hg* ) (resid 51 and name hd* ) 2.650 0.850 0.850
assign (resid 94 and name hg* ) (resid 94 and name hd* ) 2.650 0.850 0.850
assign (resid 48 and name hd* ) (resid 48 and name hg ) 2.900 1.100 1.100
assign (resid 53 and name hd* ) (resid 50 and name hb* ) 2.900 1.100 1.100
assign (resid 53 and name hd* ) (resid 56 and name hg* ) 2.900 1.100 1.100
assign (resid 53 and name hd* ) (resid 53 and name hb* ) 2.900 1.100 1.100
assign (resid 81 and name hg ) (resid 81 and name hb* ) 2.650 0.850 0.850
assign (resid 48 and name hd* ) (resid 48 and name hb* ) 2.900 1.100 1.100
assign (resid 53 and name hd* ) (resid 53 and name hg ) 2.900 1.100 1.100
assign (resid 113 and name hd* ) (resid 112 and name hg2* ) 4.150 2.350 2.350
assign (resid 112 and name hb ) (resid 112 and name hg2* ) 2.650 0.850 0.850
assign (resid 112 and name ha ) (resid 112 and name hg2* ) 3.400 1.600 1.600
assign (resid 85 and name hg ) (resid 85 and name hd* ) 2.900 1.100 1.100
assign (resid 40 and name hg ) (resid 40 and name hd* ) 3.650 1.850 1.850
assign (resid 78 and name hd* ) (resid 78 and name hn ) 3.650 1.850 1.850
assign (resid 79 and name hg* ) (resid 79 and name hn ) 3.400 1.600 1.600
assign (resid 85 and name hd* ) (resid 85 and name hn ) 3.650 1.850 1.850
assign (resid 85 and name hd* ) (resid 85 and name ha ) 3.650 1.850 1.850
assign (resid 58 and name hd* ) (resid 58 and name ha ) 2.900 1.100 1.100
assign (resid 79 and name hg* ) (resid 79 and name ha ) 3.400 1.600 1.600
assign (resid 79 and name hg* ) (resid 79 and name ha ) 3.400 1.600 1.600
assign (resid 78 and name hd* ) (resid 78 and name ha ) 3.650 1.850 1.850
assign (resid 78 and name hd* ) (resid 75 and name ha ) 3.650 1.850 1.850
assign (resid 48 and name hd* ) (resid 48 and name hb* ) 3.650 1.850 1.850
assign (resid 51 and name hn ) (resid 50 and name hb* ) 3.400 1.600 1.600
assign (resid 27 and name hd* ) (resid 27 and name hg ) 2.900 1.100 1.100
assign (resid 85 and name hd* ) (resid 85 and name hg ) 2.900 1.100 1.100
assign (resid 58 and name hd* ) (resid 58 and name hb* ) 2.900 1.100 1.100
assign (resid 27 and name hd* ) (resid 27 and name hg ) 2.900 1.100 1.100
assign (resid 51 and name hn ) (resid 51 and name hg* ) 3.900 2.100 2.100
assign (resid 79 and name hg* ) (resid 79 and name hb* ) 2.650 0.850 0.850
assign (resid 78 and name hd* ) (resid 78 and name hg ) 2.900 1.100 1.100
assign (resid 58 and name hd* ) (resid 58 and name hg ) 2.900 1.100 1.100
assign (resid 85 and name hd* ) (resid 85 and name hb* ) 2.900 1.100 1.100
assign (resid 78 and name hd* ) (resid 78 and name hb* ) 2.900 1.100 1.100
assign (resid 27 and name hd* ) (resid 27 and name hb* ) 3.650 1.850 1.850
assign (resid 40 and name hd* ) (resid 40 and name hb* ) 3.650 1.850 1.850
assign (resid 27 and name hg ) (resid 27 and name hd* ) 2.900 1.100 1.100
assign (resid 62 and name ha ) (resid 62 and name hn ) 3.400 1.600 1.600
assign (resid 23 and name ha ) (resid 24 and name hn ) 3.400 1.600 1.600
assign (resid 81 and name hd* ) (resid 81 and name ha ) 3.650 1.850 1.850
assign (resid 23 and name ha ) (resid 26 and name hb* ) 3.400 1.600 1.600
assign (resid 23 and name ha ) (resid 23 and name hg1* ) 3.400 1.600 1.600
assign (resid 23 and name ha ) (resid 23 and name hb ) 3.400 1.600 1.600
assign (resid 20 and name ha ) (resid 20 and name hg1* ) 3.400 1.600 1.600
assign (resid 81 and name hd* ) (resid 81 and name hg ) 2.900 1.100 1.100
assign (resid 81 and name hd* ) (resid 81 and name hb* ) 2.900 1.100 1.100
assign (resid 68 and name hg ) (resid 68 and name hb* ) 2.250 0.450 0.450
assign (resid 62 and name ha ) (resid 62 and name hg* ) 2.900 1.100 1.100
assign (resid 111 and name hg ) (resid 115 and name hd* ) 2.500 0.700 0.700
assign (resid 102 and name ha1 ) (resid 102 and name hn ) 3.400 1.600 1.600
assign (resid 102 and name ha2 ) (resid 102 and name hn ) 3.400 1.600 1.600
assign (resid 104 and name hn ) (resid 105 and name hn ) 3.400 1.600 1.600
assign (resid 87 and name hd* ) (resid 87 and name hn ) 3.650 1.850 1.850
assign (resid 104 and name hn ) (resid 103 and name ha ) 2.650 0.850 0.850
assign (resid 104 and name hn ) (resid 104 and name ha ) 3.400 1.600 1.600
assign (resid 102 and name ha2 ) (resid 101 and name ha ) 3.400 1.600 1.600
assign (resid 40 and name hd* ) (resid 40 and name ha ) 3.650 1.850 1.850
assign (resid 100 and name hn ) (resid 99 and name ha ) 2.650 0.850 0.850
assign (resid 100 and name hn ) (resid 100 and name ha ) 3.400 1.600 1.600
assign (resid 82 and name hd* ) (resid 82 and name ha ) 3.650 1.850 1.850
assign (resid 59 and name hd* ) (resid 56 and name ha ) 2.900 1.100 1.100
assign (resid 81 and name hd* ) (resid 81 and name ha ) 2.900 1.100 1.100
assign (resid 82 and name hd* ) (resid 82 and name ha ) 3.650 1.850 1.850
assign (resid 82 and name hd* ) (resid 79 and name ha ) 3.650 1.850 1.850
assign (resid 118 and name hd* ) (resid 118 and name ha ) 3.650 1.850 1.850
assign (resid 104 and name hn ) (resid 104 and name hb* ) 3.400 1.600 1.600
assign (resid 104 and name hn ) (resid 104 and name hb* ) 3.400 1.600 1.600
assign (resid 68 and name hd* ) (resid 65 and name ha ) 3.650 1.850 1.850
assign (resid 100 and name hg* ) (resid 100 and name he* ) 3.400 1.600 1.600
assign (resid 56 and name ha ) (resid 56 and name hb* ) 3.400 1.600 1.600
assign (resid 40 and name hd* ) (resid 44 and name hb* ) 4.150 2.350 2.350
assign (resid 100 and name hn ) (resid 100 and name hb* ) 3.400 1.600 1.600
assign (resid 100 and name hn ) (resid 100 and name hb* ) 3.400 1.600 1.600
assign (resid 56 and name ha ) (resid 59 and name hb* ) 3.400 1.600 1.600
assign (resid 56 and name ha ) (resid 56 and name hb* ) 3.400 1.600 1.600
assign (resid 100 and name hg* ) (resid 100 and name hb* ) 2.250 0.450 0.450
assign (resid 81 and name hd* ) (resid 81 and name hb* ) 2.900 1.100 1.100
assign (resid 82 and name hd* ) (resid 82 and name hb* ) 2.900 1.100 1.100
assign (resid 81 and name hd* ) (resid 81 and name hb* ) 2.900 1.100 1.100
assign (resid 118 and name hd* ) (resid 118 and name hb* ) 2.900 1.100 1.100
assign (resid 100 and name hn ) (resid 100 and name hg* ) 3.900 2.100 2.100
assign (resid 100 and name hn ) (resid 100 and name hg* ) 3.900 2.100 2.100
assign (resid 40 and name hd* ) (resid 40 and name hb* ) 2.900 1.100 1.100
assign (resid 118 and name hd* ) (resid 118 and name hb* ) 2.900 1.100 1.100
assign (resid 68 and name hd* ) (resid 68 and name hg ) 2.900 1.100 1.100
assign (resid 68 and name hd* ) (resid 68 and name hb* ) 3.650 1.850 1.850
assign (resid 100 and name hn ) (resid 99 and name hg2* ) 3.650 1.850 1.850
assign (resid 56 and name ha ) (resid 59 and name hd* ) 3.650 1.850 1.850
assign (resid 56 and name ha ) (resid 59 and name hn ) 3.400 1.600 1.600
assign (resid 66 and name hg* ) (resid 66 and name hn ) 3.400 1.600 1.600
assign (resid 53 and name hd* ) (resid 53 and name ha ) 2.900 1.100 1.100
assign (resid 87 and name hd* ) (resid 87 and name ha ) 2.900 1.100 1.100
assign (resid 31 and name hg* ) (resid 31 and name hd* ) 3.400 1.600 1.600
assign (resid 31 and name hg* ) (resid 31 and name hd* ) 3.400 1.600 1.600
assign (resid 53 and name hd* ) (resid 56 and name hd* ) 3.650 1.850 1.850
assign (resid 53 and name hd* ) (resid 56 and name hb* ) 4.150 2.350 2.350
assign (resid 24 and name ha ) (resid 24 and name hb ) 2.650 0.850 0.850
assign (resid 31 and name hg* ) (resid 31 and name hb* ) 2.650 0.850 0.850
assign (resid 31 and name hg* ) (resid 31 and name hb* ) 3.400 1.600 1.600
assign (resid 55 and name hb ) (resid 55 and name hg2* ) 2.900 1.100 1.100
assign (resid 24 and name ha ) (resid 24 and name hd* ) 2.900 1.100 1.100
assign (resid 55 and name hb ) (resid 55 and name hn ) 3.400 1.600 1.600
assign (resid 101 and name hn ) (resid 100 and name hn ) 3.900 2.100 2.100
assign (resid 88 and name hn ) (resid 89 and name hn ) 3.900 2.100 2.100
assign (resid 62 and name hg* ) (resid 62 and name hn ) 2.900 1.100 1.100
assign (resid 47 and name ha ) (resid 48 and name hn ) 3.400 1.600 1.600
assign (resid 48 and name hd* ) (resid 48 and name hn ) 3.650 1.850 1.850
assign (resid 65 and name hg* ) (resid 65 and name hn ) 2.900 1.100 1.100
assign (resid 78 and name hd* ) (resid 78 and name hn ) 2.500 0.700 0.700
assign (resid 58 and name hd* ) (resid 58 and name hn ) 3.650 1.850 1.850
assign (resid 85 and name hd* ) (resid 85 and name hn ) 3.650 1.850 1.850
assign (resid 58 and name hd* ) (resid 61 and name hd* ) 3.900 2.100 2.100
assign (resid 65 and name hg* ) (resid 66 and name hn ) 2.900 1.100 1.100
assign (resid 101 and name hn ) (resid 101 and name ha ) 3.400 1.600 1.600
assign (resid 88 and name hn ) (resid 88 and name ha ) 3.900 2.100 2.100
assign (resid 53 and name hb* ) (resid 53 and name ha ) 3.400 1.600 1.600
assign (resid 53 and name hb* ) (resid 53 and name ha ) 3.400 1.600 1.600
assign (resid 48 and name hd* ) (resid 48 and name ha ) 3.650 1.850 1.850
assign (resid 85 and name hd* ) (resid 85 and name ha ) 2.900 1.100 1.100
assign (resid 101 and name hn ) (resid 100 and name ha ) 2.650 0.850 0.850
assign (resid 88 and name hn ) (resid 87 and name ha ) 2.650 0.850 0.850
assign (resid 58 and name hd* ) (resid 58 and name ha ) 2.900 1.100 1.100
assign (resid 85 and name hd* ) (resid 82 and name ha ) 2.900 1.100 1.100
assign (resid 87 and name hd* ) (resid 87 and name ha ) 2.900 1.100 1.100
assign (resid 78 and name hd* ) (resid 78 and name ha ) 2.900 1.100 1.100
assign (resid 118 and name hd* ) (resid 118 and name ha ) 2.900 1.100 1.100
assign (resid 62 and name hg* ) (resid 62 and name ha ) 2.900 1.100 1.100
assign (resid 85 and name hd* ) (resid 86 and name hd* ) 3.650 1.850 1.850
assign (resid 65 and name hg* ) (resid 65 and name ha ) 2.900 1.100 1.100
assign (resid 101 and name hn ) (resid 101 and name hb* ) 3.400 1.600 1.600
assign (resid 83 and name ha ) (resid 83 and name hb* ) 3.400 1.600 1.600
assign (resid 48 and name hd* ) (resid 48 and name hb* ) 3.650 1.850 1.850
assign (resid 101 and name hn ) (resid 101 and name hb* ) 3.400 1.600 1.600
assign (resid 83 and name ha ) (resid 83 and name hg* ) 3.400 1.600 1.600
assign (resid 47 and name ha ) (resid 47 and name hb ) 3.400 1.600 1.600
assign (resid 58 and name hd* ) (resid 58 and name hb* ) 2.900 1.100 1.100
assign (resid 62 and name hg* ) (resid 62 and name hb ) 2.900 1.100 1.100
assign (resid 101 and name hn ) (resid 100 and name hb* ) 3.900 2.100 2.100
assign (resid 101 and name hn ) (resid 100 and name hg* ) 3.400 1.600 1.600
assign (resid 88 and name hn ) (resid 87 and name hg ) 3.400 1.600 1.600
assign (resid 88 and name hn ) (resid 88 and name hb* ) 2.900 1.100 1.100
assign (resid 83 and name ha ) (resid 83 and name hb* ) 3.400 1.600 1.600
assign (resid 47 and name ha ) (resid 47 and name hg1* ) 3.400 1.600 1.600
assign (resid 48 and name hd* ) (resid 48 and name hb* ) 3.650 1.850 1.850
assign (resid 78 and name hd* ) (resid 78 and name hg ) 2.500 0.700 0.700
assign (resid 118 and name hd* ) (resid 118 and name hb* ) 2.900 1.100 1.100
assign (resid 85 and name hd* ) (resid 85 and name hb* ) 2.900 1.100 1.100
assign (resid 87 and name hd* ) (resid 87 and name hg ) 2.900 1.100 1.100
assign (resid 87 and name hd* ) (resid 87 and name hb* ) 2.900 1.100 1.100
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assign (resid 101 and name hn ) (resid 100 and name hg* ) 3.900 2.100 2.100
assign (resid 78 and name hd* ) (resid 78 and name hb* ) 2.900 1.100 1.100
assign (resid 88 and name hn ) (resid 87 and name hd* ) 3.650 1.850 1.850
assign (resid 47 and name ha ) (resid 47 and name hg2* ) 2.900 1.100 1.100
assign (resid 53 and name hb* ) (resid 53 and name hd* ) 2.900 1.100 1.100
assign (resid 65 and name hg* ) (resid 68 and name hd* ) 3.900 2.100 2.100
assign (resid 77 and name ha ) (resid 80 and name hn ) 3.400 1.600 1.600
assign (resid 77 and name ha ) (resid 77 and name hn ) 3.400 1.600 1.600
assign (resid 54 and name hd* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 54 and name hd* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 40 and name hb* ) (resid 40 and name ha ) 3.400 1.600 1.600
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assign (resid 51 and name hd* ) (resid 51 and name ha ) 3.400 1.600 1.600
assign (resid 35 and name hd* ) (resid 35 and name ha ) 2.900 1.100 1.100
assign (resid 77 and name ha ) (resid 80 and name hb* ) 3.400 1.600 1.600
assign (resid 40 and name hb* ) (resid 44 and name hb* ) 3.400 1.600 1.600
assign (resid 77 and name ha ) (resid 77 and name hb ) 3.400 1.600 1.600
assign (resid 94 and name hd* ) (resid 94 and name hg* ) 2.650 0.850 0.850
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assign (resid 94 and name hd* ) (resid 94 and name hb* ) 2.650 0.850 0.850
assign (resid 54 and name hd* ) (resid 54 and name hb* ) 3.400 1.600 1.600
assign (resid 77 and name ha ) (resid 77 and name hg2* ) 2.900 1.100 1.100
assign (resid 77 and name ha ) (resid 77 and name hd* ) 2.900 1.100 1.100
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assign (resid 40 and name hb* ) (resid 40 and name hd* ) 3.650 1.850 1.850
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assign (resid 115 and name hd* ) (resid 115 and name hn ) 4.150 2.350 2.350
assign (resid 33 and name ha ) (resid 34 and name hn ) 2.650 0.850 0.850
assign (resid 81 and name hb* ) (resid 81 and name hn ) 2.650 0.850 0.850
assign (resid 81 and name hb* ) (resid 81 and name hn ) 3.400 1.600 1.600
assign (resid 117 and name ha ) (resid 117 and name hn ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 18 and name hn ) 3.400 1.600 1.600
assign (resid 115 and name hd* ) (resid 114 and name hd* ) 3.900 2.100 2.100
assign (resid 115 and name hd* ) (resid 114 and name he* ) 3.900 2.100 2.100
assign (resid 99 and name hn ) (resid 98 and name ha ) 2.650 0.850 0.850
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assign (resid 123 and name hn ) (resid 122 and name ha ) 2.650 0.850 0.850
assign (resid 81 and name hb* ) (resid 81 and name ha ) 3.400 1.600 1.600
assign (resid 81 and name hb* ) (resid 81 and name ha ) 2.650 0.850 0.850
assign (resid 118 and name hn ) (resid 118 and name ha ) 3.400 1.600 1.600
assign (resid 115 and name hd* ) (resid 115 and name ha ) 2.900 1.100 1.100
assign (resid 99 and name hn ) (resid 98 and name hb* ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 21 and name hb* ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 21 and name hb* ) 3.900 2.100 2.100
assign (resid 123 and name hn ) (resid 122 and name hb* ) 3.900 2.100 2.100
assign (resid 33 and name ha ) (resid 33 and name hb* ) 2.650 0.850 0.850
assign (resid 48 and name hb* ) (resid 48 and name hg ) 3.900 2.100 2.100
assign (resid 115 and name hd* ) (resid 115 and name hg ) 2.900 1.100 1.100
assign (resid 118 and name hn ) (resid 118 and name hb* ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 18 and name hb ) 3.400 1.600 1.600
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assign (resid 18 and name ha ) (resid 18 and name hg1* ) 3.400 1.600 1.600
assign (resid 99 and name hn ) (resid 99 and name hb ) 3.400 1.600 1.600
assign (resid 123 and name hn ) (resid 123 and name hb* ) 3.650 1.850 1.850
assign (resid 118 and name hn ) (resid 118 and name hb* ) 3.400 1.600 1.600
assign (resid 74 and name ha ) (resid 74 and name hg1* ) 2.650 0.850 0.850
assign (resid 48 and name hb* ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 48 and name hb* ) (resid 48 and name hd* ) 2.900 1.100 1.100
assign (resid 68 and name hd* ) (resid 68 and name hg ) 3.650 1.850 1.850
assign (resid 99 and name hn ) (resid 99 and name hg1* ) 3.900 2.100 2.100
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assign (resid 118 and name hn ) (resid 118 and name hd* ) 3.650 1.850 1.850
assign (resid 18 and name ha ) (resid 18 and name hg2* ) 2.900 1.100 1.100
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assign (resid 81 and name hb* ) (resid 81 and name hd* ) 3.650 1.850 1.850
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assign (resid 99 and name hn ) (resid 99 and name hg1* ) 3.400 1.600 1.600
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assign (resid 118 and name hb* ) (resid 119 and name hn ) 3.900 2.100 2.100
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assign (resid 117 and name hg2* ) (resid 117 and name hn ) 3.650 1.850 1.850
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assign (resid 36 and name hn ) (resid 36 and name ha ) 3.400 1.600 1.600
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assign (resid 54 and name hn ) (resid 54 and name ha ) 3.400 1.600 1.600
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assign (resid 62 and name hg* ) (resid 62 and name ha ) 3.650 1.850 1.850
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assign (resid 60 and name hn ) (resid 60 and name hb* ) 2.900 1.100 1.100
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assign (resid 90 and name hn ) (resid 89 and name hg2* ) 3.650 1.850 1.850
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assign (resid 17 and name hb* ) (resid 17 and name hn ) 3.400 1.600 1.600
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assign (resid 76 and name hb* ) (resid 77 and name hn ) 3.400 1.600 1.600
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assign (resid 107 and name ha ) (resid 107 and name hd* ) 3.650 1.850 1.850
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assign (resid 16 and name hn ) (resid 15 and name ha ) 2.650 0.850 0.850
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assign (resid 41 and name hn ) (resid 41 and name ha ) 3.400 1.600 1.600
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assign (resid 58 and name hn ) (resid 57 and name ha ) 3.400 1.600 1.600
assign (resid 40 and name hn ) (resid 39 and name ha ) 2.650 0.850 0.850
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assign (resid 94 and name hn ) (resid 93 and name hb ) 3.400 1.600 1.600
assign (resid 42 and name hb* ) (resid 42 and name ha ) 2.650 0.850 0.850
assign (resid 42 and name hb* ) (resid 42 and name ha ) 3.400 1.600 1.600
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assign (resid 16 and name hn ) (resid 16 and name ha ) 3.400 1.600 1.600
assign (resid 109 and name hn ) (resid 109 and name ha ) 2.650 0.850 0.850
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assign (resid 113 and name hn ) (resid 112 and name hb ) 3.400 1.600 1.600
assign (resid 16 and name hb* ) (resid 16 and name ha ) 3.400 1.600 1.600
assign (resid 16 and name hb* ) (resid 16 and name ha ) 3.400 1.600 1.600
assign (resid 87 and name hb* ) (resid 87 and name ha ) 2.650 0.850 0.850
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assign (resid 75 and name hn ) (resid 75 and name ha ) 2.650 0.850 0.850
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assign (resid 118 and name hb* ) (resid 118 and name ha ) 3.400 1.600 1.600
assign (resid 41 and name hn ) (resid 41 and name hb* ) 3.400 1.600 1.600
assign (resid 111 and name hn ) (resid 111 and name ha ) 3.400 1.600 1.600
assign (resid 62 and name hn ) (resid 61 and name hb* ) 3.400 1.600 1.600
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assign (resid 113 and name hn ) (resid 113 and name hb* ) 3.400 1.600 1.600
assign (resid 107 and name ha ) (resid 107 and name hb* ) 3.400 1.600 1.600
assign (resid 113 and name ha ) (resid 113 and name hb* ) 3.400 1.600 1.600
assign (resid 112 and name hg2* ) (resid 112 and name ha ) 3.650 1.850 1.850
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assign (resid 41 and name hn ) (resid 41 and name hb* ) 3.400 1.600 1.600
assign (resid 62 and name hn ) (resid 61 and name hb* ) 3.900 2.100 2.100
assign (resid 36 and name hn ) (resid 36 and name hb* ) 2.650 0.850 0.850
assign (resid 40 and name hn ) (resid 39 and name hb* ) 3.400 1.600 1.600
assign (resid 113 and name hn ) (resid 113 and name hb* ) 3.400 1.600 1.600
assign (resid 113 and name ha ) (resid 113 and name hb* ) 3.400 1.600 1.600
assign (resid 36 and name hn ) (resid 36 and name hb* ) 3.400 1.600 1.600
assign (resid 111 and name hn ) (resid 110 and name hb* ) 3.400 1.600 1.600
assign (resid 109 and name hn ) (resid 109 and name hb* ) 2.650 0.850 0.850
assign (resid 62 and name hn ) (resid 62 and name hb ) 3.400 1.600 1.600
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assign (resid 75 and name hn ) (resid 74 and name hb ) 2.650 0.850 0.850
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assign (resid 111 and name hn ) (resid 110 and name hb* ) 3.400 1.600 1.600
assign (resid 109 and name hn ) (resid 109 and name hb* ) 2.650 0.850 0.850
assign (resid 109 and name hn ) (resid 109 and name hg* ) 2.650 0.850 0.850
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assign (resid 113 and name ha ) (resid 116 and name hb* ) 3.400 1.600 1.600
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assign (resid 116 and name he* ) (resid 116 and name hd* ) 2.650 0.850 0.850
assign (resid 41 and name hn ) (resid 40 and name hb* ) 3.900 2.100 2.100
assign (resid 40 and name hn ) (resid 40 and name hb* ) 2.650 0.850 0.850
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assign (resid 17 and name hb* ) (resid 20 and name hd* ) 2.900 1.100 1.100
assign (resid 118 and name hb* ) (resid 118 and name hd* ) 2.900 1.100 1.100
assign (resid 40 and name hn ) (resid 40 and name hd* ) 3.650 1.850 1.850
assign (resid 118 and name hb* ) (resid 118 and name hd* ) 3.650 1.850 1.850
assign (resid 111 and name hn ) (resid 111 and name hb* ) 3.400 1.600 1.600
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assign (resid 71 and name hn ) (resid 70 and name hn ) 3.400 1.600 1.600
assign (resid 114 and name ha ) (resid 114 and name hn ) 3.400 1.600 1.600
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assign (resid 84 and name hb* ) (resid 84 and name hn ) 3.900 2.100 2.100
assign (resid 71 and name hb* ) (resid 72 and name hn ) 3.650 1.850 1.850
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assign (resid 116 and name hn ) (resid 117 and name hn ) 3.400 1.600 1.600
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assign (resid 61 and name hn ) (resid 61 and name hd* ) 3.650 1.850 1.850
assign (resid 111 and name hd* ) (resid 114 and name hd* ) 3.900 2.100 2.100
assign (resid 111 and name hd* ) (resid 114 and name he* ) 3.900 2.100 2.100
assign (resid 103 and name hn ) (resid 103 and name ha ) 3.400 1.600 1.600
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assign (resid 36 and name hb* ) (resid 36 and name ha ) 3.900 2.100 2.100
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assign (resid 71 and name hb* ) (resid 71 and name ha ) 2.900 1.100 1.100
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assign (resid 71 and name hn ) (resid 70 and name ha ) 3.400 1.600 1.600
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assign (resid 82 and name hn ) (resid 82 and name ha ) 2.650 0.850 0.850
assign (resid 23 and name hn ) (resid 23 and name ha ) 2.650 0.850 0.850
assign (resid 19 and name hn ) (resid 18 and name ha ) 3.900 2.100 2.100
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assign (resid 115 and name hb* ) (resid 115 and name ha ) 3.900 2.100 2.100
assign (resid 115 and name hb* ) (resid 115 and name ha ) 3.400 1.600 1.600
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assign (resid 85 and name hn ) (resid 84 and name hb* ) 3.400 1.600 1.600
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assign (resid 114 and name ha ) (resid 114 and name hb* ) 2.650 0.850 0.850
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assign (resid 114 and name hn ) (resid 113 and name hb* ) 3.400 1.600 1.600
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assign (resid 19 and name hn ) (resid 19 and name hg* ) 3.400 1.600 1.600
assign (resid 23 and name hn ) (resid 23 and name hg1* ) 2.650 0.850 0.850
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assign (resid 19 and name hn ) (resid 19 and name hb* ) 3.400 1.600 1.600
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assign (resid 116 and name hn ) (resid 116 and name hg* ) 3.400 1.600 1.600
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assign (resid 19 and name hn ) (resid 18 and name hd* ) 3.650 1.850 1.850
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assign (resid 111 and name hd* ) (resid 111 and name hb* ) 3.650 1.850 1.850
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assign (resid 89 and name ha ) (resid 90 and name hn ) 3.400 1.600 1.600
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assign (resid 28 and name hn ) (resid 28 and name ha ) 3.400 1.600 1.600
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assign (resid 105 and name hn ) (resid 105 and name hb* ) 3.400 1.600 1.600
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assign (resid 46 and name hb* ) (resid 46 and name ha ) 3.400 1.600 1.600
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assign (resid 64 and name hb* ) (resid 64 and name ha ) 2.900 1.100 1.100
assign (resid 121 and name hb* ) (resid 118 and name ha ) 3.650 1.850 1.850
assign (resid 99 and name hg2* ) (resid 99 and name ha ) 2.900 1.100 1.100
assign (resid 42 and name hn ) (resid 42 and name hb* ) 2.650 0.850 0.850
assign (resid 48 and name hn ) (resid 45 and name ha ) 3.400 1.600 1.600
assign (resid 45 and name hn ) (resid 45 and name ha ) 3.400 1.600 1.600
assign (resid 26 and name hn ) (resid 26 and name hb* ) 2.650 0.850 0.850
assign (resid 104 and name ha ) (resid 104 and name hb* ) 2.650 0.850 0.850
assign (resid 52 and name hn ) (resid 52 and name hb* ) 3.400 1.600 1.600
assign (resid 52 and name hn ) (resid 52 and name hb* ) 3.400 1.600 1.600
assign (resid 42 and name hn ) (resid 41 and name hb* ) 3.400 1.600 1.600
assign (resid 42 and name hn ) (resid 41 and name hb* ) 3.400 1.600 1.600
assign (resid 120 and name hn ) (resid 120 and name hb* ) 3.400 1.600 1.600
assign (resid 48 and name hn ) (resid 48 and name hb* ) 3.400 1.600 1.600
assign (resid 49 and name hn ) (resid 49 and name hg* ) 3.400 1.600 1.600
assign (resid 52 and name hn ) (resid 50 and name hg* ) 3.400 1.600 1.600
assign (resid 52 and name hn ) (resid 52 and name hb* ) 3.900 2.100 2.100
assign (resid 59 and name hn ) (resid 58 and name hb* ) 3.400 1.600 1.600
assign (resid 48 and name hn ) (resid 47 and name hb ) 2.650 0.850 0.850
assign (resid 49 and name hn ) (resid 49 and name hb* ) 2.650 0.850 0.850
assign (resid 110 and name ha ) (resid 110 and name hb* ) 3.400 1.600 1.600
assign (resid 75 and name ha ) (resid 75 and name hg* ) 2.650 0.850 0.850
assign (resid 23 and name hg2* ) (resid 23 and name hb ) 2.900 1.100 1.100
assign (resid 23 and name hg2* ) (resid 23 and name hg1* ) 2.900 1.100 1.100
assign (resid 52 and name hn ) (resid 51 and name hb* ) 3.400 1.600 1.600
assign (resid 52 and name hn ) (resid 51 and name hg* ) 3.900 2.100 2.100
assign (resid 59 and name hn ) (resid 58 and name hg ) 3.400 1.600 1.600
assign (resid 48 and name hn ) (resid 48 and name hb* ) 3.400 1.600 1.600
assign (resid 59 and name hn ) (resid 59 and name hb* ) 3.400 1.600 1.600
assign (resid 59 and name hn ) (resid 60 and name hb* ) 3.650 1.850 1.850
assign (resid 48 and name hn ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 59 and name hn ) (resid 58 and name hd* ) 3.650 1.850 1.850
assign (resid 59 and name hn ) (resid 59 and name hd* ) 2.900 1.100 1.100
assign (resid 48 and name hn ) (resid 47 and name hg2* ) 2.900 1.100 1.100
assign (resid 45 and name hn ) (resid 45 and name hg* ) 3.400 1.600 1.600
assign (resid 82 and name ha ) (resid 82 and name hd* ) 2.900 1.100 1.100
assign (resid 99 and name hg2* ) (resid 99 and name hd* ) 3.150 1.350 1.350
assign (resid 80 and name hb* ) (resid 80 and name hn ) 2.650 0.850 0.850
assign (resid 41 and name hb* ) (resid 41 and name hd2* ) 3.400 1.600 1.600
assign (resid 77 and name hg2* ) (resid 77 and name hn ) 4.150 2.350 2.350
assign (resid 41 and name hb* ) (resid 41 and name hd2* ) 3.400 1.600 1.600
assign (resid 80 and name hb* ) (resid 80 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hn ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hn ) (resid 57 and name ha ) 3.400 1.600 1.600
assign (resid 17 and name hn ) (resid 17 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hd2* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 83 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hd2* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 41 and name hb* ) (resid 41 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hn ) (resid 56 and name ha ) 3.900 2.100 2.100
assign (resid 17 and name hn ) (resid 16 and name ha ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 81 and name ha ) 3.400 1.600 1.600
assign (resid 112 and name hn ) (resid 112 and name hb ) 2.650 0.850 0.850
assign (resid 84 and name hn ) (resid 82 and name ha ) 3.400 1.600 1.600
assign (resid 82 and name hb* ) (resid 82 and name ha ) 3.400 1.600 1.600
assign (resid 82 and name hb* ) (resid 82 and name ha ) 3.400 1.600 1.600
assign (resid 47 and name hg2* ) (resid 48 and name ha ) 3.650 1.850 1.850
assign (resid 57 and name hn ) (resid 56 and name hd* ) 3.900 2.100 2.100
assign (resid 84 and name hn ) (resid 83 and name hd* ) 3.400 1.600 1.600
assign (resid 79 and name hn ) (resid 79 and name ha ) 3.400 1.600 1.600
assign (resid 82 and name hb* ) (resid 83 and name hd* ) 3.400 1.600 1.600
assign (resid 82 and name hb* ) (resid 83 and name hd* ) 3.400 1.600 1.600
assign (resid 97 and name hg2* ) (resid 97 and name ha ) 4.150 2.350 2.350
assign (resid 57 and name hn ) (resid 56 and name hd* ) 3.900 2.100 2.100
assign (resid 57 and name hn ) (resid 57 and name hb* ) 3.400 1.600 1.600
assign (resid 112 and name hn ) (resid 112 and name ha ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 84 and name hb* ) 2.650 0.850 0.850
assign (resid 57 and name hd2* ) (resid 57 and name hb* ) 3.400 1.600 1.600
assign (resid 111 and name hb* ) (resid 111 and name ha ) 3.400 1.600 1.600
assign (resid 17 and name hn ) (resid 16 and name hb* ) 3.900 2.100 2.100
assign (resid 49 and name hn ) (resid 49 and name hg* ) 3.400 1.600 1.600
assign (resid 105 and name hd2* ) (resid 105 and name hb* ) 3.400 1.600 1.600
assign (resid 57 and name hn ) (resid 56 and name hb* ) 3.900 2.100 2.100
assign (resid 19 and name ha ) (resid 19 and name hg* ) 3.400 1.600 1.600
assign (resid 19 and name ha ) (resid 19 and name hg* ) 2.650 0.850 0.850
assign (resid 106 and name ha ) (resid 106 and name hg* ) 3.400 1.600 1.600
assign (resid 45 and name ha ) (resid 48 and name hb* ) 3.900 2.100 2.100
assign (resid 57 and name hn ) (resid 57 and name hb* ) 3.400 1.600 1.600
assign (resid 57 and name hd2* ) (resid 57 and name hb* ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 83 and name hg* ) 3.400 1.600 1.600
assign (resid 57 and name hd2* ) (resid 57 and name hb* ) 3.900 2.100 2.100
assign (resid 57 and name hd2* ) (resid 53 and name hb* ) 3.400 1.600 1.600
assign (resid 16 and name ha ) (resid 19 and name hb* ) 3.400 1.600 1.600
assign (resid 106 and name ha ) (resid 106 and name hb* ) 2.650 0.850 0.850
assign (resid 45 and name ha ) (resid 45 and name hg* ) 3.400 1.600 1.600
assign (resid 45 and name ha ) (resid 45 and name hb* ) 3.400 1.600 1.600
assign (resid 47 and name hg2* ) (resid 48 and name hg ) 2.900 1.100 1.100
assign (resid 47 and name hg2* ) (resid 47 and name hb ) 2.900 1.100 1.100
assign (resid 57 and name hn ) (resid 56 and name hb* ) 3.900 2.100 2.100
assign (resid 84 and name hn ) (resid 83 and name hb* ) 3.400 1.600 1.600
assign (resid 79 and name hn ) (resid 79 and name hb* ) 2.650 0.850 0.850
assign (resid 57 and name hd2* ) (resid 53 and name hb* ) 3.900 2.100 2.100
assign (resid 16 and name ha ) (resid 19 and name hb* ) 3.400 1.600 1.600
assign (resid 51 and name ha ) (resid 51 and name hg* ) 2.650 0.850 0.850
assign (resid 45 and name ha ) (resid 45 and name hb* ) 3.400 1.600 1.600
assign (resid 108 and name ha ) (resid 108 and name hb* ) 2.650 0.850 0.850
assign (resid 47 and name hg2* ) (resid 47 and name hg1* ) 2.900 1.100 1.100
assign (resid 97 and name hg2* ) (resid 96 and name hb* ) 3.650 1.850 1.850
assign (resid 112 and name hn ) (resid 112 and name hg2* ) 3.650 1.850 1.850
assign (resid 79 and name hn ) (resid 79 and name hg* ) 3.400 1.600 1.600
assign (resid 45 and name ha ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 112 and name hn ) (resid 111 and name hb* ) 2.650 0.850 0.850
assign (resid 45 and name ha ) (resid 45 and name hg* ) 3.400 1.600 1.600
assign (resid 82 and name hb* ) (resid 82 and name hd* ) 3.650 1.850 1.850
assign (resid 82 and name hb* ) (resid 82 and name hd* ) 3.650 1.850 1.850
assign (resid 99 and name ha ) (resid 99 and name hg1* ) 3.400 1.600 1.600
assign (resid 111 and name hb* ) (resid 111 and name hd* ) 3.650 1.850 1.850
assign (resid 79 and name hn ) (resid 78 and name hn ) 3.400 1.600 1.600
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assign (resid 38 and name hb* ) (resid 38 and name hn ) 3.400 1.600 1.600
assign (resid 20 and name hb ) (resid 20 and name hn ) 3.400 1.600 1.600
assign (resid 20 and name hb ) (resid 21 and name hn ) 3.400 1.600 1.600
assign (resid 20 and name hg2* ) (resid 20 and name hn ) 3.650 1.850 1.850
assign (resid 20 and name hg2* ) (resid 21 and name hn ) 3.650 1.850 1.850
assign (resid 80 and name hd2* ) (resid 80 and name hn ) 2.650 0.850 0.850
assign (resid 120 and name hb* ) (resid 120 and name hn ) 3.400 1.600 1.600
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assign (resid 73 and name hb* ) (resid 74 and name hn ) 3.650 1.850 1.850
assign (resid 74 and name hg2* ) (resid 74 and name hn ) 2.900 1.100 1.100
assign (resid 67 and name hn ) (resid 67 and name ha ) 3.400 1.600 1.600
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assign (resid 15 and name hb* ) (resid 15 and name ha ) 3.400 1.600 1.600
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assign (resid 52 and name hd2* ) (resid 53 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hb* ) (resid 57 and name ha ) 3.400 1.600 1.600
assign (resid 74 and name hn ) (resid 73 and name ha ) 3.400 1.600 1.600
assign (resid 67 and name hn ) (resid 66 and name ha ) 3.400 1.600 1.600
assign (resid 47 and name hb ) (resid 44 and name ha ) 3.400 1.600 1.600
assign (resid 20 and name hb ) (resid 17 and name hb* ) 3.400 1.600 1.600
assign (resid 73 and name hb* ) (resid 73 and name ha ) 2.900 1.100 1.100
assign (resid 20 and name hg2* ) (resid 21 and name ha ) 3.650 1.850 1.850
assign (resid 74 and name hn ) (resid 74 and name ha ) 3.400 1.600 1.600
assign (resid 67 and name hn ) (resid 67 and name hb* ) 3.400 1.600 1.600
assign (resid 74 and name hb ) (resid 74 and name ha ) 3.900 2.100 2.100
assign (resid 58 and name ha ) (resid 61 and name hb* ) 2.650 0.850 0.850
assign (resid 20 and name hg2* ) (resid 20 and name ha ) 2.900 1.100 1.100
assign (resid 52 and name hd2* ) (resid 52 and name hb* ) 3.400 1.600 1.600
assign (resid 15 and name hd2* ) (resid 15 and name hb* ) 3.400 1.600 1.600
assign (resid 52 and name hd2* ) (resid 52 and name hb* ) 3.400 1.600 1.600
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assign (resid 43 and name ha ) (resid 43 and name hg* ) 2.650 0.850 0.850
assign (resid 74 and name hg2* ) (resid 74 and name hb ) 2.900 1.100 1.100
assign (resid 74 and name hn ) (resid 74 and name hg1* ) 3.400 1.600 1.600
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assign (resid 15 and name hb* ) (resid 18 and name hb ) 3.400 1.600 1.600
assign (resid 74 and name hg2* ) (resid 78 and name hg ) 2.900 1.100 1.100
assign (resid 74 and name hg2* ) (resid 74 and name hg1* ) 2.900 1.100 1.100
assign (resid 74 and name hn ) (resid 74 and name hg1* ) 3.400 1.600 1.600
assign (resid 67 and name hn ) (resid 66 and name hg* ) 3.400 1.600 1.600
assign (resid 15 and name hd2* ) (resid 18 and name hd* ) 3.650 1.850 1.850
assign (resid 15 and name hd2* ) (resid 18 and name hd* ) 3.650 1.850 1.850
assign (resid 58 and name ha ) (resid 58 and name hd* ) 2.900 1.100 1.100
assign (resid 15 and name hb* ) (resid 18 and name hd* ) 3.650 1.850 1.850
assign (resid 15 and name hb* ) (resid 18 and name hd* ) 3.650 1.850 1.850
assign (resid 47 and name hb ) (resid 47 and name hd* ) 2.900 1.100 1.100
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assign (resid 91 and name hb* ) (resid 90 and name ha ) 3.650 1.850 1.850
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assign (resid 60 and name hb* ) (resid 60 and name ha ) 2.900 1.100 1.100
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assign (resid 80 and name hd2* ) (resid 77 and name ha ) 3.900 2.100 2.100
assign (resid 26 and name ha ) (resid 26 and name hb* ) 3.400 1.600 1.600
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assign (resid 24 and name hg2* ) (resid 24 and name ha ) 3.650 1.850 1.850
assign (resid 41 and name hd2* ) (resid 41 and name hb* ) 3.900 2.100 2.100
assign (resid 80 and name hd2* ) (resid 80 and name hb* ) 3.400 1.600 1.600
assign (resid 41 and name hd2* ) (resid 41 and name hb* ) 3.400 1.600 1.600
assign (resid 80 and name hd2* ) (resid 80 and name hb* ) 2.650 0.850 0.850
assign (resid 41 and name hd2* ) (resid 41 and name hb* ) 2.650 0.850 0.850
assign (resid 124 and name he2* ) (resid 124 and name hg* ) 3.900 2.100 2.100
assign (resid 124 and name he2* ) (resid 124 and name hg* ) 3.900 2.100 2.100
assign (resid 19 and name he* ) (resid 19 and name hg* ) 3.650 1.850 1.850
assign (resid 18 and name hg2* ) (resid 22 and name hg* ) 3.650 1.850 1.850
assign (resid 91 and name hb* ) (resid 92 and name hg* ) 3.650 1.850 1.850
assign (resid 24 and name hg2* ) (resid 24 and name hb ) 2.900 1.100 1.100
assign (resid 18 and name hg2* ) (resid 18 and name hb ) 2.900 1.100 1.100
assign (resid 18 and name hg2* ) (resid 18 and name hg1* ) 2.900 1.100 1.100
assign (resid 77 and name hb ) (resid 77 and name hd* ) 2.900 1.100 1.100
assign (resid 50 and name ha ) (resid 51 and name hn ) 2.650 0.850 0.850
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assign (resid 78 and name ha ) (resid 81 and name hn ) 3.400 1.600 1.600
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assign (resid 18 and name hb ) (resid 19 and name hn ) 3.400 1.600 1.600
assign (resid 52 and name hb* ) (resid 52 and name ha ) 3.400 1.600 1.600
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assign (resid 76 and name hn ) (resid 76 and name hb* ) 3.400 1.600 1.600
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assign (resid 125 and name ha ) (resid 125 and name hn ) 3.400 1.600 1.600
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assign (resid 48 and name ha ) (resid 48 and name hb* ) 3.400 1.600 1.600
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assign (resid 48 and name ha ) (resid 48 and name hd* ) 2.900 1.100 1.100
assign (resid 66 and name ha ) (resid 66 and name hg* ) 2.650 0.850 0.850
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assign (resid 111 and name ha ) (resid 111 and name hb* ) 3.400 1.600 1.600
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assign (resid 50 and name hg* ) (resid 53 and name hg ) 3.400 1.600 1.600
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assign (resid 23 and name hd* ) (resid 23 and name hn ) 3.650 1.850 1.850
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assign (resid 22 and name hg* ) (resid 22 and name hb* ) 3.400 1.600 1.600
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assign (resid 20 and name hd* ) (resid 20 and name ha ) 3.650 1.850 1.850
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assign (resid 74 and name hd* ) (resid 74 and name hg1* ) 2.900 1.100 1.100
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assign (resid 94 and name ha ) (resid 94 and name hb* ) 2.650 0.850 0.850
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assign (resid 24 and name hd* ) (resid 24 and name hb ) 3.650 1.850 1.850
assign (resid 24 and name hd* ) (resid 24 and name hg1* ) 2.900 1.100 1.100
assign (resid 40 and name ha ) (resid 40 and name hb* ) 2.650 0.850 0.850
assign (resid 40 and name ha ) (resid 40 and name hd* ) 3.650 1.850 1.850
assign (resid 18 and name hd* ) (resid 18 and name hn ) 3.650 1.850 1.850
assign (resid 92 and name hb* ) (resid 92 and name ha ) 2.650 0.850 0.850
assign (resid 92 and name hb* ) (resid 92 and name ha ) 2.650 0.850 0.850
assign (resid 96 and name hb* ) (resid 96 and name ha ) 2.650 0.850 0.850
assign (resid 96 and name hb* ) (resid 96 and name ha ) 2.650 0.850 0.850
assign (resid 100 and name hb* ) (resid 100 and name ha ) 3.400 1.600 1.600
assign (resid 92 and name hb* ) (resid 92 and name hd* ) 3.400 1.600 1.600
assign (resid 92 and name hb* ) (resid 92 and name hd* ) 3.400 1.600 1.600
assign (resid 18 and name hd* ) (resid 18 and name ha ) 3.650 1.850 1.850
assign (resid 45 and name hg* ) (resid 45 and name hb* ) 2.650 0.850 0.850
assign (resid 18 and name hd* ) (resid 18 and name hg1* ) 2.900 1.100 1.100
assign (resid 100 and name hb* ) (resid 100 and name hg* ) 2.650 0.850 0.850
assign (resid 123 and name ha ) (resid 124 and name hn ) 3.400 1.600 1.600
assign (resid 45 and name hg* ) (resid 45 and name hn ) 3.400 1.600 1.600
assign (resid 110 and name hb* ) (resid 110 and name ha ) 2.650 0.850 0.850
assign (resid 85 and name ha ) (resid 86 and name hd* ) 2.650 0.850 0.850
assign (resid 79 and name hb* ) (resid 79 and name ha ) 2.650 0.850 0.850
assign (resid 85 and name ha ) (resid 86 and name hd* ) 2.650 0.850 0.850
assign (resid 110 and name hb* ) (resid 106 and name hg* ) 3.400 1.600 1.600
assign (resid 19 and name hg* ) (resid 19 and name he* ) 3.650 1.850 1.850
assign (resid 19 and name hg* ) (resid 19 and name hb* ) 2.650 0.850 0.850
assign (resid 19 and name hg* ) (resid 19 and name hb* ) 3.400 1.600 1.600
assign (resid 79 and name hb* ) (resid 79 and name hg* ) 2.250 0.450 0.450
assign (resid 116 and name hb* ) (resid 116 and name hn ) 3.400 1.600 1.600
assign (resid 116 and name hb* ) (resid 116 and name ha ) 3.400 1.600 1.600
assign (resid 116 and name hb* ) (resid 116 and name ha ) 3.400 1.600 1.600
assign (resid 32 and name ha ) (resid 32 and name hb* ) 2.650 0.850 0.850
assign (resid 83 and name hb* ) (resid 83 and name hg* ) 2.250 0.450 0.450
assign (resid 116 and name hb* ) (resid 116 and name hg* ) 2.650 0.850 0.850
assign (resid 62 and name hb ) (resid 62 and name hg* ) 2.900 1.100 1.100
assign (resid 56 and name hb* ) (resid 53 and name hd* ) 3.650 1.850 1.850
assign (resid 18 and name hg2* ) (resid 19 and name hn ) 4.150 2.350 2.350
assign (resid 85 and name ha ) (resid 85 and name hn ) 3.900 2.100 2.100
assign (resid 16 and name ha ) (resid 20 and name hn ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 21 and name hn ) 3.400 1.600 1.600
assign (resid 18 and name ha ) (resid 22 and name hn ) 3.400 1.600 1.600
assign (resid 24 and name hb ) (resid 21 and name ha ) 3.400 1.600 1.600
assign (resid 23 and name hb ) (resid 20 and name ha ) 3.400 1.600 1.600
assign (resid 26 and name hn ) (resid 23 and name hg2* ) 3.0  1.2  1.2
assign (resid 28 and name ha ) (resid 28 and name hg* ) 3.400 1.600 1.600
assign (resid 28 and name ha ) (resid 28 and name hb* ) 3.400 1.600 1.600
assign (resid 28 and name ha ) (resid 28 and name hb* ) 3.400 1.600 1.600
assign (resid 29 and name ha ) (resid 30 and name hd* ) 3.400 1.600 1.600
assign (resid 31 and name hd* ) (resid 31 and name hb* ) 3.400 1.600 1.600
assign (resid 32 and name hb* ) (resid 32 and name ha ) 3.400 1.600 1.600
assign (resid 32 and name hb* ) (resid 33 and name hd* ) 3.400 1.600 1.600
assign (resid 119 and name ha ) (resid 122 and name hn ) 3.400 1.600 1.600
assign (resid 35 and name hg ) (resid 35 and name hn ) 2.650 0.850 0.850
assign (resid 35 and name hg ) (resid 35 and name ha ) 3.400 1.600 1.600
assign (resid 40 and name hb* ) (resid 40 and name hn ) 3.400 1.600 1.600
assign (resid 40 and name hd* ) (resid 44 and name hb* ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 40 and name ha ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 44 and name hb* ) 4.150 2.350 2.350
assign (resid 41 and name hn ) (resid 40 and name hd* ) 4.150 2.350 2.350
assign (resid 43 and name ha ) (resid 46 and name hn ) 2.650 0.850 0.850
assign (resid 44 and name hb* ) (resid 40 and name hb* ) 3.900 2.100 2.100
assign (resid 44 and name hb* ) (resid 45 and name hn ) 3.900 2.100 2.100
assign (resid 45 and name ha ) (resid 48 and name hb* ) 3.400 1.600 1.600
assign (resid 45 and name ha ) (resid 40 and name hb* ) 3.400 1.600 1.600
assign (resid 45 and name ha ) (resid 40 and name hd* ) 4.150 2.350 2.350
assign (resid 45 and name hb* ) (resid 45 and name hn ) 3.400 1.600 1.600
assign (resid 45 and name hb* ) (resid 45 and name hn ) 3.400 1.600 1.600
assign (resid 50 and name hn ) (resid 51 and name hn ) 3.900 2.100 2.100
assign (resid 50 and name hn ) (resid 47 and name ha ) 3.900 2.100 2.100
assign (resid 51 and name hn ) (resid 51 and name hd* ) 3.900 2.100 2.100
assign (resid 52 and name hb* ) (resid 50 and name hg* ) 3.400 1.600 1.600
assign (resid 52 and name hb* ) (resid 50 and name hg* ) 3.400 1.600 1.600
assign (resid 53 and name hn ) (resid 52 and name hb* ) 3.900 2.100 2.100
assign (resid 53 and name hn ) (resid 50 and name ha ) 3.900 2.100 2.100
assign (resid 54 and name hn ) (resid 52 and name hn ) 3.900 2.100 2.100
assign (resid 53 and name hb* ) (resid 57 and name hd2* ) 3.900 2.100 2.100
assign (resid 53 and name hb* ) (resid 57 and name hd2* ) 3.900 2.100 2.100
assign (resid 54 and name hb* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 55 and name ha ) (resid 56 and name hd* ) 2.6500 0.850 0.850
assign (resid 55 and name ha ) (resid 56 and name hd* ) 3.900 2.100 2.100
assign (resid 56 and name ha ) (resid 59 and name hb* ) 3.400 1.600 1.600
assign (resid 58 and name hb* ) (resid 55 and name ha ) 3.400 1.600 1.600
assign (resid 60 and name hn ) (resid 57 and name hb* ) 3.900 2.100 2.100
assign (resid 60 and name ha ) (resid 63 and name hn ) 3.900 2.100 2.100
assign (resid 60 and name ha ) (resid 61 and name hn ) 3.400 1.600 1.600
assign (resid 60 and name ha ) (resid 63 and name hg* ) 3.400 1.600 1.600
assign (resid 65 and name hb ) (resid 62 and name ha ) 3.900 2.100 2.100
assign (resid 67 and name hn ) (resid 65 and name ha ) 3.400 1.600 1.600
assign (resid 67 and name hb* ) (resid 67 and name hn ) 3.400 1.600 1.600
assign (resid 68 and name hb* ) (resid 65 and name ha ) 3.400 1.600 1.600
assign (resid 68 and name hd* ) (resid 70 and name hn ) 4.150 2.350 2.350
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assign (resid 68 and name hd* ) (resid 65 and name ha ) 4.150 2.350 2.350
assign (resid 26 and name hn ) (resid 23 and name ha ) 2.650 0.850 0.850
assign (resid 57 and name hb* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 57 and name hb* ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 55 and name ha ) (resid 59 and name hn ) 3.900 2.100 2.100
assign (resid 66 and name hn ) (resid 65 and name ha ) 3.400 1.600 1.600
assign (resid 65 and name ha ) (resid 66 and name ha ) 3.900 2.100 2.100
assign (resid 71 and name hn ) (resid 69 and name ha ) 2.650 0.850 0.850
assign (resid 71 and name hb* ) (resid 68 and name hd* ) 3.900 2.100 2.100
assign (resid 71 and name hb* ) (resid 68 and name hd* ) 3.900 2.100 2.100
assign (resid 73 and name ha ) (resid 76 and name hn ) 3.400 1.600 1.600
assign (resid 74 and name ha ) (resid 77 and name hn ) 2.650 0.850 0.850
assign (resid 75 and name ha ) (resid 78 and name hb* ) 3.900 2.100 2.100
assign (resid 75 and name hb* ) (resid 75 and name ha ) 3.900 2.100 2.100
assign (resid 76 and name hn ) (resid 78 and name hn ) 3.400 1.600 1.600
assign (resid 77 and name hn ) (resid 76 and name hb* ) 2.650 0.850 0.850
assign (resid 77 and name hb ) (resid 78 and name ha ) 3.400 1.600 1.600
assign (resid 78 and name hb* ) (resid 78 and name hn ) 3.900 2.100 2.100
assign (resid 78 and name hb* ) (resid 79 and name hn ) 3.900 2.100 2.100
assign (resid 78 and name hb* ) (resid 79 and name hn ) 3.900 2.100 2.100
assign (resid 78 and name hb* ) (resid 78 and name ha ) 3.900 2.100 2.100
assign (resid 78 and name hb* ) (resid 75 and name ha ) 3.900 2.100 2.100
assign (resid 79 and name hn ) (resid 75 and name ha ) 3.900 2.100 2.100
assign (resid 79 and name ha ) (resid 82 and name hn ) 3.400 1.600 1.600
assign (resid 81 and name hn ) (resid 83 and name hd* ) 3.900 2.100 2.100
assign (resid 81 and name hb* ) (resid 78 and name ha ) 3.900 2.100 2.100
assign (resid 56 and name hg* ) (resid 57 and name hn ) 3.900 2.100 2.100
assign (resid 56 and name hg* ) (resid 55 and name hb ) 3.400 1.600 1.600
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assign (resid 83 and name hd* ) (resid 84 and name hn ) 3.900 2.100 2.100
assign (resid 83 and name hd* ) (resid 82 and name ha ) 2.650 0.850 0.850
assign (resid 83 and name hd* ) (resid 82 and name ha ) 3.400 1.600 1.600
assign (resid 84 and name hn ) (resid 82 and name hn ) 3.900 2.100 2.100
assign (resid 84 and name hb* ) (resid 85 and name hn ) 3.900 2.100 2.100
assign (resid 85 and name hb* ) (resid 86 and name hd* ) 3.900 2.100 2.100
assign (resid 90 and name hb* ) (resid 89 and name hn ) 3.650 1.850 1.850
assign (resid 92 and name hb* ) (resid 93 and name hn ) 3.900 2.100 2.100
assign (resid 92 and name hb* ) (resid 93 and name hn ) 3.900 2.100 2.100
assign (resid 92 and name hb* ) (resid 94 and name hn ) 3.400 1.600 1.600
assign (resid 92 and name hb* ) (resid 94 and name hn ) 3.400 1.600 1.600
assign (resid 94 and name hb* ) (resid 94 and name hd* ) 3.400 1.600 1.600
assign (resid 94 and name hb* ) (resid 94 and name hd* ) 3.400 1.600 1.600
assign (resid 94 and name hd* ) (resid 94 and name ha ) 3.400 1.600 1.600
assign (resid 94 and name hd* ) (resid 94 and name ha ) 3.400 1.600 1.600
assign (resid 95 and name hn ) (resid 96 and name hd* ) 3.400 1.600 1.600
assign (resid 95 and name hn ) (resid 96 and name hd* ) 3.400 1.600 1.600
assign (resid 95 and name hb* ) (resid 96 and name hd* ) 3.400 1.600 1.600
assign (resid 96 and name hg* ) (resid 95 and name ha ) 3.400 1.600 1.600
assign (resid 96 and name hg* ) (resid 95 and name ha ) 3.400 1.600 1.600
assign (resid 96 and name hd* ) (resid 96 and name ha ) 3.400 1.600 1.600
assign (resid 78 and name ha ) (resid 82 and name hn ) 3.900 2.100 2.100
assign (resid 97 and name ha ) (resid 98 and name hb* ) 3.900 2.100 2.100
assign (resid 97 and name hg1* ) (resid 97 and name ha ) 3.900 2.100 2.100
assign (resid 97 and name hg1* ) (resid 97 and name ha ) 3.900 2.100 2.100
assign (resid 98 and name hn ) (resid 97 and name hg2* ) 4.150 2.350 2.350
assign (resid 99 and name hn ) (resid 100 and name hn ) 3.900 2.100 2.100
assign (resid 99 and name ha ) (resid 99 and name hd* ) 3.650 1.850 1.850
assign (resid 99 and name hb ) (resid 99 and name ha ) 3.400 1.600 1.600
assign (resid 100 and name hb* ) (resid 101 and name hn ) 3.900 2.100 2.100
assign (resid 100 and name hd* ) (resid 100 and name ha ) 3.400 1.600 1.600
assign (resid 101 and name hb* ) (resid 102 and name hn ) 3.900 2.100 2.100
assign (resid 104 and name hn ) (resid 104 and name hd1 ) 3.900 2.100 2.100
assign (resid 105 and name ha ) (resid 106 and name hn ) 3.400 1.600 1.600
assign (resid 105 and name ha ) (resid 108 and name hb* ) 3.400 1.600 1.600
assign (resid 105 and name ha ) (resid 108 and name hb* ) 2.650 0.850 0.850
assign (resid 106 and name ha ) (resid 109 and name hn ) 3.400 1.600 1.600
assign (resid 106 and name ha ) (resid 107 and name hn ) 3.400 1.600 1.600
assign (resid 106 and name hg* ) (resid 106 and name ha ) 3.900 2.100 2.100
assign (resid 107 and name hn ) (resid 107 and name hd* ) 4.150 2.350 2.350
assign (resid 107 and name ha ) (resid 108 and name hn ) 3.400 1.600 1.600
assign (resid 107 and name hb* ) (resid 107 and name ha ) 3.400 1.600 1.600
assign (resid 108 and name ha ) (resid 111 and name hn ) 3.900 2.100 2.100
assign (resid 109 and name hn ) (resid 109 and name he* ) 2.650 0.850 0.850
assign (resid 77 and name hg1* ) (resid 78 and name hn ) 3.400 1.600 1.600
assign (resid 110 and name ha ) (resid 113 and name hb* ) 3.900 2.100 2.100
assign (resid 110 and name ha ) (resid 113 and name hb* ) 3.900 2.100 2.100
assign (resid 96 and name hb* ) (resid 97 and name hn ) 3.400 1.600 1.600
assign (resid 110 and name hb* ) (resid 110 and name hn ) 3.400 1.600 1.600
assign (resid 111 and name hn ) (resid 111 and name hd* ) 4.150 2.350 2.350
assign (resid 111 and name ha ) (resid 114 and name hn ) 3.900 2.100 2.100
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assign (resid 111 and name ha ) (resid 115 and name hd* ) 4.150 2.350 2.350
assign (resid 111 and name hb* ) (resid 111 and name hn ) 3.900 2.100 2.100
assign (resid 111 and name hd* ) (resid 114 and name hn ) 4.150 2.350 2.350
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assign (resid 111 and name hd* ) (resid 115 and name hg ) 3.650 1.850 1.850
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assign (resid 112 and name hg2* ) (resid 116 and name hn ) 4.150 2.350 2.350
assign (resid 112 and name hg2* ) (resid 113 and name hb* ) 3.650 1.850 1.850
assign (resid 112 and name hg2* ) (resid 116 and name hb* ) 3.650 1.850 1.850
assign (resid 113 and name ha ) (resid 116 and name hn ) 3.400 1.600 1.600
assign (resid 113 and name hb* ) (resid 114 and name hn ) 3.900 2.100 2.100
assign (resid 114 and name ha ) (resid 114 and name hd* ) 2.900 1.100 1.100
assign (resid 114 and name hb* ) (resid 115 and name hn ) 3.400 1.600 1.600
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assign (resid 114 and name hb* ) (resid 114 and name hd* ) 3.650 1.850 1.850
assign (resid 114 and name hb* ) (resid 114 and name ha ) 3.400 1.600 1.600
assign (resid 114 and name hb* ) (resid 111 and name hd* ) 4.150 2.350 2.350
assign (resid 114 and name hb* ) (resid 111 and name hd* ) 4.150 2.350 2.350
assign (resid 115 and name hn ) (resid 114 and name ha ) 3.900 2.100 2.100
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assign (resid 115 and name hg ) (resid 115 and name hn ) 3.900 2.100 2.100
assign (resid 115 and name hg ) (resid 114 and name hd* ) 4.150 2.350 2.350
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assign (resid 116 and name hb* ) (resid 117 and name hn ) 3.400 1.600 1.600
assign (resid 116 and name hb* ) (resid 117 and name hg2* ) 4.150 2.350 2.350
assign (resid 116 and name hb* ) (resid 117 and name hg2* ) 4.150 2.350 2.350
assign (resid 116 and name hg* ) (resid 116 and name he* ) 3.400 1.600 1.600
assign (resid 117 and name hn ) (resid 119 and name hn ) 3.900 2.100 2.100
assign (resid 117 and name hn ) (resid 114 and name ha ) 3.900 2.100 2.100
assign (resid 117 and name ha ) (resid 120 and name hn ) 3.900 2.100 2.100
assign (resid 117 and name ha ) (resid 118 and name hn ) 3.900 2.100 2.100
assign (resid 117 and name ha ) (resid 120 and name hb* ) 3.400 1.600 1.600
assign (resid 117 and name ha ) (resid 120 and name hb* ) 3.900 2.100 2.100
assign (resid 117 and name hb ) (resid 117 and name hn ) 3.900 2.100 2.100
assign (resid 117 and name hg2* ) (resid 114 and name ha ) 4.150 2.350 2.350
assign (resid 118 and name hn ) (resid 116 and name hn ) 3.900 2.100 2.100
assign (resid 118 and name hd* ) (resid 121 and name hn ) 3.650 1.850 1.850
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assign (resid 118 and name hd* ) (resid 114 and name he* ) 4.400 2.600 2.600
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assign (resid 118 and name hg ) (resid 118 and name hn ) 3.400 1.600 1.600
assign (resid 118 and name hg ) (resid 118 and name ha ) 3.400 1.600 1.600
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assign (resid 123 and name hn ) (resid 122 and name hg* ) 3.400 1.600 1.600
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assign (resid 49 and name hg* ) (resid 49 and name ha ) 3.900 2.100 2.100
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assign (resid 53 and name hg ) (resid 53 and name ha ) 3.400 1.600 1.600
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assign (resid 17 and name hn ) (resid 19 and name he* ) 4.150 2.350 2.350
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assign (resid 58 and name hn ) (resid 56 and name hd* ) 3.900 2.100 2.100
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assign (resid 86 and name hd* ) (resid 118 and name hd* ) 3.650 1.850 1.850
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assign (resid 55 and name ha ) (resid 85 and name hd* ) 2.900 1.100 1.100
assign (resid 55 and name ha ) (resid 85 and name hd* ) 3.650 1.850 1.850
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assign (resid 48 and name hd* ) (resid 113 and name hd* ) 3.900 2.100 2.100
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assign (resid 48 and name hd* ) (resid 110 and name ha ) 3.650 1.850 1.850
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assign (resid 40 and name hd* ) (resid 113 and name hb* ) 4.150 2.350 2.350
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assign (resid 40 and name hd* ) (resid 113 and name hb* ) 4.150 2.350 2.350
assign (resid 48 and name hd* ) (resid 110 and name hb* ) 2.900 1.100 1.100
assign (resid 58 and name hd* ) (resid 81 and name hb* ) 2.900 1.100 1.100
assign (resid 48 and name hd* ) (resid 40 and name hd* ) 3.900 2.100 2.100
assign (resid 27 and name hd* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 85 and name hd* ) (resid 118 and name hd* ) 3.150 1.350 1.350
assign (resid 27 and name hd* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 81 and name hd* ) (resid 16 and name hb* ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 110 and name ha ) 3.650 1.850 1.850
assign (resid 40 and name hd* ) (resid 113 and name hb* ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 109 and name hb* ) 3.650 1.850 1.850
assign (resid 48 and name hd* ) (resid 114 and name hd* ) 3.900 2.100 2.100
assign (resid 48 and name hd* ) (resid 61 and name hz ) 3.650 1.850 1.850
assign (resid 48 and name hd* ) (resid 61 and name he* ) 3.900 2.100 2.100
assign (resid 118 and name hd* ) (resid 85 and name ha ) 3.650 1.850 1.850
assign (resid 65 and name hg* ) (resid 75 and name ha ) 2.900 1.100 1.100
assign (resid 78 and name hd* ) (resid 61 and name hb* ) 3.650 1.850 1.850
assign (resid 78 and name hd* ) (resid 61 and name hb* ) 3.650 1.850 1.850
assign (resid 118 and name hd* ) (resid 54 and name hd* ) 4.150 2.350 2.350
assign (resid 65 and name hg* ) (resid 75 and name hb* ) 2.900 1.100 1.100
assign (resid 48 and name hd* ) (resid 110 and name hb* ) 3.650 1.850 1.850
assign (resid 62 and name hg* ) (resid 79 and name hb* ) 2.900 1.100 1.100
assign (resid 78 and name hd* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 48 and name hd* ) (resid 97 and name hg2* ) 3.900 2.100 2.100
assign (resid 78 and name hd* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 54 and name hd* ) (resid 85 and name hd* ) 4.150 2.350 2.350
assign (resid 68 and name hd* ) (resid 104 and name ha ) 3.650 1.850 1.850
assign (resid 115 and name hd* ) (resid 20 and name ha ) 4.150 2.350 2.350
assign (resid 81 and name hb* ) (resid 58 and name hd* ) 3.650 1.850 1.850
assign (resid 81 and name hb* ) (resid 58 and name hd* ) 3.650 1.850 1.850
assign (resid 90 and name hn ) (resid 52 and name hd2* ) 3.900 2.100 2.100
assign (resid 58 and name hn ) (resid 114 and name he* ) 4.150 2.350 2.350
assign (resid 89 and name hg2* ) (resid 51 and name hd* ) 3.650 1.850 1.850
assign (resid 90 and name hn ) (resid 52 and name hb* ) 3.900 2.100 2.100
assign (resid 62 and name hg* ) (resid 79 and name he* ) 3.650 1.850 1.850
assign (resid 117 and name hg2* ) (resid 49 and name hg* ) 4.150 2.350 2.350
assign (resid 117 and name hg2* ) (resid 49 and name he* ) 4.400 2.600 2.600
assign (resid 62 and name hg* ) (resid 79 and name hb* ) 3.650 1.850 1.850
assign (resid 62 and name hg* ) (resid 79 and name hg* ) 3.650 1.850 1.850
assign (resid 61 and name ha ) (resid 99 and name hd* ) 3.650 1.850 1.850
assign (resid 90 and name hb* ) (resid 52 and name hd2* ) 3.90 2.10 2.10
assign (resid 111 and name hn ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 65 and name hg* ) (resid 75 and name ha ) 2.900 1.100 1.100
assign (resid 66 and name he* ) (resid 75 and name hg* ) 3.400 1.600 1.600
assign (resid 107 and name ha ) (resid 99 and name hg2* ) 2.900 1.100 1.100
assign (resid 111 and name hd* ) (resid 61 and name he* ) 4.400 2.600 2.600
assign (resid 84 and name hb* ) (resid 16 and name hb* ) 3.400 1.600 1.600
assign (resid 114 and name hn ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 114 and name ha ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 64 and name hn ) (resid 99 and name hg2* ) 3.650 1.850 1.850
assign (resid 82 and name hn ) (resid 58 and name hd* ) 2.900 1.100 1.100
assign (resid 71 and name hb* ) (resid 65 and name hg* ) 3.150 1.350 1.350
assign (resid 61 and name hn ) (resid 97 and name hg2* ) 4.150 2.350 2.350
assign (resid 88 and name hb* ) (resid 52 and name ha ) 3.650 1.850 1.850
assign (resid 48 and name hn ) (resid 54 and name ha ) 3.65  1.85  1.85
assign (resid 99 and name hb ) (resid 64 and name hb* ) 2.500 0.700 0.700
assign (resid 55 and name hn ) (resid 85 and name hd* ) 4.150 2.350 2.350
assign (resid 107 and name hn ) (resid 99 and name hg2* ) 2.900 1.100 1.100
assign (resid 81 and name hn ) (resid 58 and name hg* ) 3.650 1.850 1.850
assign (resid 64 and name hb* ) (resid 107 and name he* ) 3.900 2.100 2.100
assign (resid 64 and name hb* ) (resid 107 and name hd* ) 3.900 2.100 2.100
assign (resid 99 and name hg2* ) (resid 107 and name hd* ) 3.900 2.100 2.100
assign (resid 99 and name hg2* ) (resid 107 and name hb* ) 3.650 1.850 1.850
assign (resid 99 and name hg2* ) (resid 106 and name hb* ) 2.900 1.100 1.100
assign (resid 99 and name hg2* ) (resid 64 and name hb* ) 3.150 1.350 1.350
assign (resid 64 and name hb* ) (resid 99 and name hg1* ) 3.650 1.850 1.850
assign (resid 23 and name hg2* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 64 and name hb* ) (resid 99 and name hd* ) 3.900 2.100 2.100
assign (resid 45 and name ha ) (resid 113 and name he* ) 3.650 1.850 1.850
assign (resid 57 and name hn ) (resid 114 and name he* ) 3.650 1.850 1.850
assign (resid 47 and name hg2* ) (resid 57 and name hd2* ) 3.650 1.850 1.850
assign (resid 57 and name hd2* ) (resid 48 and name ha ) 3.400 1.600 1.600
assign (resid 47 and name hg2* ) (resid 96 and name ha ) 3.650 1.850 1.850
assign (resid 97 and name hg2* ) (resid 57 and name ha ) 3.650 1.850 1.850
assign (resid 57 and name hd2* ) (resid 48 and name ha ) 3.900 2.100 2.100
assign (resid 77 and name hg2* ) (resid 19 and name ha ) 2.900 1.100 1.100
assign (resid 47 and name hg2* ) (resid 97 and name ha ) 2.900 1.100 1.100
assign (resid 77 and name hg2* ) (resid 19 and name hg* ) 3.650 1.850 1.850
assign (resid 80 and name hb* ) (resid 19 and name he* ) 3.650 1.850 1.850
assign (resid 77 and name hg2* ) (resid 19 and name hb* ) 2.900 1.100 1.100
assign (resid 97 and name hg2* ) (resid 57 and name hb* ) 4.150 2.350 2.350
assign (resid 77 and name hg2* ) (resid 19 and name hb* ) 2.900 1.100 1.100
assign (resid 57 and name hd2* ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 114 and name hb* ) (resid 48 and name hd* ) 4.150 2.350 2.350
assign (resid 97 and name hg2* ) (resid 48 and name hd* ) 3.150 1.350 1.350
assign (resid 57 and name hd2* ) (resid 47 and name hg2* ) 3.650 1.850 1.850
assign (resid 47 and name hg2* ) (resid 97 and name hg2* ) 3.900 2.100 2.100
assign (resid 74 and name hg2* ) (resid 104 and name hz3 ) 3.650 1.850 1.850
assign (resid 20 and name hg2* ) (resid 119 and name ha ) 3.650 1.850 1.850
assign (resid 20 and name hg2* ) (resid 119 and name hg* ) 4.150 2.350 2.350
assign (resid 52 and name hd2* ) (resid 90 and name hb* ) 3.90 2.10 2.10
assign (resid 60 and name hb* ) (resid 99 and name hg2* ) 4.400 2.600 2.600
assign (resid 74 and name hg2* ) (resid 111 and name hd* ) 3.900 2.100 2.100
assign (resid 60 and name hb* ) (resid 99 and name hd* ) 3.150 1.350 1.350
assign (resid 24 and name hg2* ) (resid 116 and name he* ) 4.150 2.350 2.350
assign (resid 24 and name hg2* ) (resid 116 and name hd* ) 2.900 1.100 1.100
assign (resid 49 and name he* ) (resid 117 and name hn ) 4.150 2.350 2.350
assign (resid 48 and name ha ) (resid 54 and name ha ) 3.400 1.600 1.600
assign (resid 99 and name hd* ) (resid 107 and name hd* ) 3.900 2.100 2.100
assign (resid 99 and name hd* ) (resid 61 and name hd* ) 3.900 2.100 2.100
assign (resid 99 and name hd* ) (resid 61 and name he* ) 4.400 2.600 2.600
assign (resid 99 and name hd* ) (resid 61 and name ha ) 3.650 1.850 1.850
assign (resid 99 and name hd* ) (resid 107 and name ha ) 4.150 2.350 2.350
assign (resid 114 and name he* ) (resid 54 and name ha ) 3.650 1.850 1.850
assign (resid 23 and name hd* ) (resid 78 and name ha ) 3.650 1.850 1.850
assign (resid 75 and name hg* ) (resid 66 and name hd* ) 3.400 1.600 1.600
assign (resid 97 and name hd* ) (resid 110 and name hd* ) 3.650 1.850 1.850
assign (resid 75 and name hg* ) (resid 65 and name hg* ) 3.650 1.850 1.850
assign (resid 74 and name hd* ) (resid 104 and name hh2 ) 3.650 1.850 1.850
assign (resid 74 and name hd* ) (resid 104 and name hz3 ) 3.650 1.850 1.850
assign (resid 97 and name hd* ) (resid 110 and name he* ) 3.650 1.850 1.850
assign (resid 97 and name hd* ) (resid 48 and name hd* ) 3.150 1.350 1.350
assign (resid 81 and name ha ) (resid 58 and name hd* ) 3.650 1.850 1.850
assign (resid 47 and name hd* ) (resid 94 and name hd* ) 3.650 1.850 1.850
assign (resid 24 and name hd* ) (resid 116 and name ha ) 3.650 1.850 1.850
assign (resid 24 and name hd* ) (resid 116 and name hd* ) 2.900 1.100 1.100
assign (resid 24 and name hd* ) (resid 116 and name hg* ) 3.650 1.850 1.850
assign (resid 100 and name hb* ) (resid 106 and name hb* ) 2.250 0.450 0.450
assign (resid 92 and name hb* ) (resid 53 and name hd* ) 2.900 1.100 1.100
assign (resid 110 and name hb* ) (resid 48 and name hd* ) 3.650 1.850 1.850
assign (resid 40 and name hd* ) (resid 113 and name hn ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 113 and name hb* ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 110 and name he* ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 113 and name hn ) 4.150 2.350 2.350
assign (resid 40 and name hd* ) (resid 109 and name hb* ) 3.650 1.850 1.850
assign (resid 45 and name ha ) (resid 113 and name hd* ) 4.150 2.350 2.350
assign (resid 47 and name ha ) (resid 94 and name hd* ) 3.900 2.100 2.100
assign (resid 48 and name hb* ) (resid 113 and name hd* ) 3.650 1.850 1.850
assign (resid 48 and name hb* ) (resid 113 and name hd* ) 3.650 1.850 1.850
assign (resid 52 and name hb* ) (resid 88 and name hb* ) 3.90 2.10 2.10
assign (resid 52 and name hb* ) (resid 88 and name hb* ) 4.150 2.350 2.350
assign (resid 55 and name ha ) (resid 85 and name hb* ) 3.900 2.100 2.100
assign (resid 60 and name hn ) (resid 97 and name hg2* ) 4.150 2.350 2.350
assign (resid 61 and name ha ) (resid 107 and name hd* ) 3.650 1.850 1.850
assign (resid 61 and name ha ) (resid 107 and name he* ) 3.650 1.850 1.850
assign (resid 65 and name hb ) (resid 107 and name he* ) 4.150 2.350 2.350
assign (resid 65 and name hb ) (resid 107 and name hd* ) 4.150 2.350 2.350
assign (resid 68 and name hd* ) (resid 104 and name he3 ) 3.650 1.850 1.850
assign (resid 68 and name hd* ) (resid 104 and name hz3 ) 3.650 1.850 1.850
assign (resid 68 and name hd* ) (resid 104 and name hb* ) 3.650 1.850 1.850
assign (resid 68 and name hd* ) (resid 102 and name ha1 ) 3.650 1.850 1.850
assign (resid 68 and name hd* ) (resid 102 and name ha2 ) 3.650 1.850 1.850
assign (resid 71 and name hb* ) (resid 65 and name hb ) 4.150 2.350 2.350
assign (resid 71 and name hb* ) (resid 65 and name ha ) 4.150 2.350 2.350
assign (resid 71 and name hb* ) (resid 104 and name hz3 ) 4.150 2.350 2.350
assign (resid 71 and name hb* ) (resid 104 and name hh2 ) 2.500 0.700 0.700
assign (resid 71 and name hb* ) (resid 104 and name hz2 ) 3.650 1.850 1.850
assign (resid 89 and name hn ) (resid 52 and name hd2* ) 3.900 2.100 2.100
assign (resid 89 and name hn ) (resid 52 and name ha ) 3.900 2.100 2.100
assign (resid 94 and name hd* ) (resid 47 and name ha ) 3.400 1.600 1.600
assign (resid 94 and name hd* ) (resid 47 and name ha ) 3.400 1.600 1.600
assign (resid 94 and name hd* ) (resid 47 and name hd* ) 3.650 1.850 1.850
assign (resid 97 and name hg2* ) (resid 61 and name hz ) 4.150 2.350 2.350
assign (resid 97 and name hg2* ) (resid 61 and name he* ) 4.400 2.600 2.600
assign (resid 97 and name hg2* ) (resid 57 and name hb* ) 4.150 2.350 2.350
assign (resid 97 and name hd* ) (resid 47 and name ha ) 4.150 2.350 2.350
assign (resid 97 and name hd* ) (resid 61 and name he* ) 4.400 2.600 2.600
assign (resid 99 and name hg2* ) (resid 107 and name he* ) 4.400 2.600 2.600
assign (resid 99 and name hg2* ) (resid 107 and name hb* ) 3.650 1.850 1.850
assign (resid 99 and name hd* ) (resid 64 and name hn ) 4.150 2.350 2.350
assign (resid 99 and name hd* ) (resid 107 and name he* ) 4.400 2.600 2.600
assign (resid 99 and name hd* ) (resid 61 and name hz ) 3.650 1.850 1.850
assign (resid 99 and name hd* ) (resid 61 and name hb* ) 4.150 2.350 2.350
assign (resid 99 and name hd* ) (resid 61 and name hb* ) 4.150 2.350 2.350
assign (resid 60 and name hb* ) (resid 99 and name hg1* ) 3.650 1.850 1.850
assign (resid 102 and name hn ) (resid 67 and name hb* ) 3.900 2.100 2.100
assign (resid 102 and name hn ) (resid 67 and name hb* ) 3.900 2.100 2.100
assign (resid 102 and name ha1 ) (resid 67 and name hb* ) 3.900 2.100 2.100
assign (resid 102 and name ha2 ) (resid 67 and name hb* ) 3.900 2.100 2.100
assign (resid 107 and name hn ) (resid 68 and name hd* ) 3.650 1.850 1.850
assign (resid 107 and name hn ) (resid 68 and name hd* ) 4.150 2.350 2.350
assign (resid 110 and name hb* ) (resid 61 and name hz ) 3.900 2.100 2.100
assign (resid 110 and name hb* ) (resid 61 and name hz ) 3.900 2.100 2.100
assign (resid 110 and name hb* ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 110 and name hb* ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 111 and name ha ) (resid 61 and name hz ) 3.400 1.600 1.600
assign (resid 111 and name ha ) (resid 61 and name he* ) 3.650 1.850 1.850
assign (resid 113 and name hb* ) (resid 48 and name hd* ) 4.150 2.350 2.350
assign (resid 113 and name hb* ) (resid 48 and name hd* ) 4.150 2.350 2.350
assign (resid 114 and name ha ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 114 and name ha ) (resid 48 and name hb* ) 3.400 1.600 1.600
assign (resid 115 and name hn ) (resid 48 and name hd* ) 4.150 2.350 2.350
assign (resid 115 and name hd* ) (resid 24 and name hn ) 4.150 2.350 2.350
assign (resid 117 and name hb ) (resid 49 and name he* ) 4.150 2.350 2.350
assign (resid 117 and name hb ) (resid 49 and name hg* ) 3.900 2.100 2.100
assign (resid 117 and name hg2* ) (resid 49 and name ha ) 3.650 1.850 1.850
assign (resid 118 and name hd* ) (resid 54 and name hd* ) 4.150 2.350 2.350
assign (resid 118 and name hd* ) (resid 54 and name hd* ) 4.150 2.350 2.350
assign (resid 48 and name hd* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 49 and name hg* ) (resid 117 and name ha ) 3.900 2.100 2.100
assign (resid 49 and name hg* ) (resid 117 and name hg2* ) 4.150 2.350 2.350
assign (resid 54 and name hd* ) (resid 114 and name he* ) 4.150 2.350 2.350
assign (resid 54 and name hd* ) (resid 114 and name he* ) 4.150 2.350 2.350
assign (resid 54 and name hd* ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 54 and name hd* ) (resid 61 and name he* ) 4.150 2.350 2.350
assign (resid 78 and name hd* ) (resid 61 and name hd* ) 4.400 2.600 2.600
assign (resid 78 and name hd* ) (resid 114 and name he* ) 4.400 2.600 2.600
assign (resid 78 and name hd* ) (resid 61 and name hb* ) 4.150 2.350 2.350
assign (resid 78 and name hd* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 81 and name hd* ) (resid 20 and name ha ) 4.150 2.350 2.350
assign (resid 81 and name hd* ) (resid 20 and name hn ) 4.150 2.350 2.350
assign (resid 81 and name hd* ) (resid 114 and name he* ) 4.400 2.600 2.600
assign (resid 81 and name hd* ) (resid 16 and name hb* ) 4.150 2.350 2.350
assign (resid 81 and name hd* ) (resid 20 and name hn ) 4.150 2.350 2.350
assign (resid 81 and name hd* ) (resid 20 and name ha ) 4.150 2.350 2.350
assign (resid 81 and name hd* ) (resid 19 and name hb* ) 4.150 2.350 2.350
assign (resid 48 and name ha ) (resid 114 and name hd* ) 4.150 2.350 2.350
assign (resid 23 and name hg2* ) (resid 74 and name hg1* ) 4.150 2.350 2.350
assign (resid 23 and name hg2* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 23 and name hd* ) (resid 74 and name ha ) 4.150 2.350 2.350
assign (resid 23 and name hd* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 40 and name hb* ) (resid 110 and name hb* ) 3.900 2.100 2.100
assign (resid 47 and name hg2* ) (resid 54 and name ha ) 4.150 2.350 2.350
assign (resid 52 and name hd2* ) (resid 89 and name hn ) 3.900 2.100 2.100
assign (resid 52 and name hd2* ) (resid 88 and name hb* ) 4.150 2.350 2.350
assign (resid 64 and name hb* ) (resid 98 and name ha ) 4.150 2.350 2.350
assign (resid 64 and name hb* ) (resid 99 and name hg1* ) 4.150 2.350 2.350
assign (resid 74 and name hd* ) (resid 111 and name hd* ) 4.400 2.600 2.600
assign (resid 78 and name hd* ) (resid 114 and name he* ) 4.400 2.600 2.600
assign (resid 85 and name hd* ) (resid 54 and name hb* ) 4.150 2.350 2.350
assign (resid 86 and name hd* ) (resid 54 and name hb* ) 3.900 2.100 2.100
assign (resid 86 and name hd* ) (resid 54 and name hb* ) 3.900 2.100 2.100
assign (resid 52 and name hd2* ) (resid 89 and name hg2* ) 4.150 2.350 2.350
assign (resid 52 and name hd2* ) (resid 89 and name hg2* ) 4.150 2.350 2.350
assign (resid 90 and name hn ) (resid 52 and name ha ) 3.900 2.100 2.100
assign (resid 90 and name hn ) (resid 52 and name hb* ) 3.900 2.100 2.100
assign (resid 27 and name hg ) (resid 74 and name hg2* ) 4.150 2.350 2.350
assign (resid 114 and name he* ) (resid 57 and name hb* ) 4.150 2.350 2.350
assign (resid 114 and name he* ) (resid 57 and name hb* ) 4.150 2.350 2.350
assign (resid 113 and name he* ) (resid 49 and name hg* ) 4.150 2.350 2.350
assign (resid 106 and name hg* ) (resid 99 and name hg2* ) 4.150 2.350 2.350
assign (resid 106 and name hg* ) (resid 99 and name hg2* ) 4.150 2.350 2.350
assign (resid 110 and name hd* ) (resid 99 and name hg1* ) 3.900 2.100 2.100
assign (resid 110 and name hd* ) (resid 99 and name hg2* ) 4.150 2.350 2.350
assign (resid 110 and name hd* ) (resid 99 and name hg2* ) 4.150 2.350 2.350
assign (resid 110 and name hd* ) (resid 99 and name hg1* ) 3.900 2.100 2.100
assign (resid 110 and name hd* ) (resid 99 and name hg1* ) 3.900 2.100 2.100
assign (resid 110 and name he* ) (resid 99 and name hg1* ) 3.900 2.100 2.100
assign (resid 110 and name he* ) (resid 99 and name hg1* ) 3.900 2.100 2.100
assign (resid 111 and name hb* ) (resid 61 and name hd* ) 4.150 2.350 2.350
assign (resid 114 and name hb* ) (resid 48 and name hd* ) 4.150 2.350 2.350
assign (resid 24 and name hd* ) (resid 115 and name hn ) 4.150 2.350 2.350
assign (resid 54 and name hb* ) (resid 85 and name hd* ) 4.150 2.350 2.350
assign (resid 55 and name hn ) (resid 85 and name hd* ) 4.150 2.350 2.350
assign (resid 94 and name hd* ) (resid 50 and name hb* ) 3.900 2.100 2.100
assign (resid 97 and name hd* ) (resid 44 and name hb* ) 4.150 2.350 2.350
assign (resid 102 and name hn ) (resid 38 and name ha ) 3.40  1.60  1.60
assign (resid 103 and name hn ) (resid 38 and name ha ) 3.40  1.60  1.60
assign (resid 55 and name hg2* ) (resid 82 and name hd* ) 3.15  1.35  1.35
assign (resid 55 and name hb ) (resid 82 and name hd* ) 4.15  2.35  2.35
assign (resid 55 and name hb ) (resid 82 and name hb* ) 3.90  2.10  2.10
assign (resid 17 and name hb* ) (resid 119 and name hg* ) 3.90  2.10  2.10
assign (resid 17 and name hb* ) (resid 119 and name hg* ) 3.90  2.10  2.10
assign (resid 17 and name ha ) (resid 119 and name hg* ) 3.90  2.10  2.10
assign (resid 117 and name hn ) (resid 54 and name hd* ) 3.90  2.10  2.10
assign (resid 117 and name hb ) (resid 54 and name hd* ) 3.90  2.10  2.10
assign (resid 117 and name hg2* ) (resid 54 and name hd* ) 3.65  1.85  1.85
assign (resid 118 and name hn ) (resid 54 and name hd* ) 3.9  2.10 2.10
assign (resid 114 and name ha ) (resid 54 and name hd* ) 3.4  1.60 1.60
assign (resid 93 and name hn ) (resid 53 and name hd* ) 4.150 2.350 2.350
assign (resid 112 and name hg2* ) (resid 24 and name hd* ) 3.150 1.350 1.350
 ! based on noe pattern x13
 assign (resid  45 and name o) (resid  49 and name hn)  2.0  0.30  0.30
 assign (resid  45 and name o) (resid  49 and name n)  2.85  0.45  0.45
 assign (resid  51 and name o) (resid  54 and name hn)  2.0  0.30  0.30
 assign (resid  51 and name o) (resid  54 and name n)  2.85  0.45  0.45
 assign (resid  55 and name o) (resid  59 and name hn)  2.0  0.30  0.3
 assign (resid  55 and name o) (resid  59 and name n)  2.85  0.45  0.45
 assign (resid  56 and name o) (resid  60 and name hn)  2.0  0.30  0.3
 assign (resid  56 and name o) (resid  60 and name n)  2.85  0.45  0.45
 assign (resid  59 and name o) (resid  63 and name hn)  2.0  0.30  0.3
 assign (resid  59 and name o) (resid  63 and name n)  2.85  0.45  0.45
 assign (resid  68 and name o) (resid  71 and name hn)  2.0  0.30  0.3
 assign (resid  68 and name o) (resid  71 and name n)  2.85  0.45  0.45
 assign (resid  75 and name o) (resid  79 and name hn)  2.0  0.30  0.30
 assign (resid  75 and name o) (resid  79 and name n)  2.85  0.45  0.45
 assign (resid  78 and name o) (resid  82 and name hn)  2.0  0.30  0.30
 assign (resid  78 and name o) (resid  82 and name n)  2.85  0.45  0.45
 assign (resid  87 and name o) (resid 90 and name hn)  2.0  0.30  0.30
 assign (resid  87 and name o) (resid 90 and name n)  2.85  0.45  0.45
 assign (resid  107 and name o) (resid 111 and name hn)  2.0  0.30  0.30
 assign (resid  107 and name o) (resid 111 and name n)  2.85  0.45  0.45
 assign (resid  112 and name o) (resid 116 and name hn)  2.0  0.30  0.30
 assign (resid  112 and name o) (resid 116 and name n)  2.85  0.45  0.45
 assign (resid  113 and name o) (resid 117 and name hn)  2.0  0.30  0.30
 assign (resid  113 and name o) (resid 117 and name n)  2.85  0.45  0.45
 assign (resid  115 and name o) (resid 119 and name hn)  2.0  0.30  0.30
 assign (resid  115 and name o) (resid 119 and name n)  2.85  0.45  0.45
 ! from intermediate structures x26
 assign (resid  15 and name o) (resid 18 and name hn)  2.0  0.30  0.30
 assign (resid  15 and name o) (resid 18 and name n)  2.85  0.45  0.45
 assign (resid  54 and name o) (resid 57 and name hn)  2.0  0.30  0.30
 assign (resid  54 and name o) (resid 57 and name n)  2.85  0.45  0.45
 assign (resid  54 and name o) (resid 58 and name hn)  2.0  0.30  0.30
 assign (resid  54 and name o) (resid 58 and name n)  2.85  0.45  0.45
 assign (resid  58 and name o) (resid 62 and name hn)  2.0  0.30  0.30
 assign (resid  58 and name o) (resid 62 and name n)  2.85  0.45  0.45
 assign (resid  63 and name o) (resid 66 and name hn)  2.0  0.30  0.30
 assign (resid  63 and name o) (resid 66 and name n)  2.85  0.45  0.45
 assign (resid  65 and name o) (resid 68 and name hn)  2.0  0.30  0.30
 assign (resid  65 and name o) (resid 68 and name n)  2.85  0.45  0.45
 assign (resid  81 and name o) (resid 84 and name hn)  2.0  0.30  0.30
 assign (resid  81 and name o) (resid 84 and name n)  2.85  0.45  0.45
 assign (resid  104 and name o) (resid 108 and name hn)  2.0  0.30  0.30
 assign (resid  104 and name o) (resid 108 and name n)  2.85  0.45  0.45
 assign (resid  106 and name o) (resid 110 and name hn)  2.0  0.30  0.30
 assign (resid  106 and name o) (resid 110 and name n)  2.85  0.45  0.45
 assign (resid  108 and name o) (resid 112 and name hn)  2.0  0.30  0.30
 assign (resid  108 and name o) (resid 112 and name n)  2.85  0.45  0.45
 assign (resid  110 and name o) (resid 114 and name hn)  2.0  0.30  0.30
 assign (resid  110 and name o) (resid 114 and name n)  2.85  0.45  0.45
 assign (resid  114 and name o) (resid 118 and name hn)  2.0  0.30  0.30
 assign (resid  114 and name o) (resid 118 and name n)  2.85  0.45  0.45
 assign (resid  15 and name o) (resid 19 and name hn)  2.0  0.30  0.30
 assign (resid  15 and name o) (resid 19 and name n)  2.85  0.45  0.45
 assign (resid  44 and name o) (resid 48 and name hn)  2.0  0.30  0.30
 assign (resid  44 and name o) (resid 48 and name n)  2.85  0.45  0.45
 assign (resid  47 and name o) (resid 50 and name hn)  2.0  0.30  0.30
 assign (resid  47 and name o) (resid 50 and name n)  2.85  0.45  0.45
 assign (resid  60 and name o) (resid 64 and name hn)  2.0  0.30  0.30
 assign (resid  60 and name o) (resid 64 and name n)  2.85  0.45  0.45
 assign (resid  71 and name o) (resid 74 and name hn)  2.0  0.30  0.30
 assign (resid  71 and name o) (resid 74 and name n)  2.85  0.45  0.45
 assign (resid  72 and name o) (resid 76 and name hn)  2.0  0.30  0.30
 assign (resid  72 and name o) (resid 76 and name n)  2.85  0.45  0.45
 assign (resid  73 and name o) (resid 77 and name hn)  2.0  0.30  0.30
 assign (resid  73 and name o) (resid 77 and name n)  2.85  0.45  0.45
 assign (resid  76 and name o) (resid 80 and name hn)  2.0  0.30  0.30
 assign (resid  76 and name o) (resid 80 and name n)  2.85  0.45  0.45
 assign (resid  77 and name o) (resid 81 and name hn)  2.0  0.30  0.30
 assign (resid  77 and name o) (resid 81 and name n)  2.85  0.45  0.45
 assign (resid  103 and name o) (resid 107 and name hn)  2.0  0.30  0.30
 assign (resid  103 and name o) (resid 107 and name n)  2.85  0.45  0.45
 assign (resid  105 and name o) (resid 109 and name hn)  2.0  0.30  0.30
 assign (resid  105 and name o) (resid 109 and name n)  2.85  0.45  0.45
 assign (resid  109 and name o) (resid 113 and name hn)  2.0  0.30  0.30
 assign (resid  109 and name o) (resid 113 and name n)  2.85  0.45  0.45
 assign (resid  111 and name o) (resid 115 and name hn)  2.0  0.30  0.30
 assign (resid  111 and name o) (resid 115 and name n)  2.85  0.45  0.45
 assign (resid  116 and name o) (resid 120 and name hn)  2.0  0.30  0.30
 assign (resid  116 and name o) (resid 120 and name n)  2.85  0.45  0.45
 ! helical regions  J<6Hz.............
 ! first helix 9 
 assign (resid 15 and name c) (resid 16 and name n)
   (resid 16 and name ca) (resid 16 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 16 and name c) (resid 17 and name n)
   (resid 17 and name ca) (resid 17 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 17 and name c) (resid 18 and name n)
   (resid 18 and name ca) (resid 18 and name c) 200. -73.0 30.0 2 !5.8 Hz
 assign (resid 18 and name c) (resid 19 and name n)
   (resid 19 and name ca) (resid 19 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 20 and name c) (resid 21 and name n)
   (resid 21 and name ca) (resid 21 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 21 and name c) (resid 22 and name n)
   (resid 22 and name ca) (resid 22 and name c) 200. -66.5 30.0 2 !5.0 Hz
 assign (resid 22 and name c) (resid 23 and name n)
   (resid 23 and name ca) (resid 23 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 23 and name c) (resid 24 and name n)
   (resid 24 and name ca) (resid 24 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 24 and name c) (resid 25 and name n)
   (resid 25 and name ca) (resid 25 and name c) 200. -33.0 33.0 2 !<5 Hz
!
! additional helix 6
 assign (resid 41 and name c) (resid 42 and name n)
   (resid 42 and name ca) (resid 42 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 42 and name c) (resid 43 and name n)
   (resid 43 and name ca) (resid 43 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 44 and name c) (resid 45 and name n)
   (resid 45 and name ca) (resid 45 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 46 and name c) (resid 47 and name n)
   (resid 47 and name ca) (resid 47 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 47 and name c) (resid 48 and name n)
   (resid 48 and name ca) (resid 48 and name c) 200. -33.0 33.0 2 !<5 Hz
!
! second helix 8
 assign (resid 56 and name c) (resid 57 and name n)
   (resid 57 and name ca) (resid 57 and name c) 200. -62.5 30.0 2 !4.5 Hz
 assign (resid 57 and name c) (resid 58 and name n)
   (resid 58 and name ca) (resid 58 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 58 and name c) (resid 59 and name n)
   (resid 59 and name ca) (resid 59 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 59 and name c) (resid 60 and name n)
   (resid 60 and name ca) (resid 60 and name c) 200. -64.0 30.0 2 !4.7 Hz
 assign (resid 61 and name c) (resid 62 and name n)
   (resid 62 and name ca) (resid 62 and name c) 200. -61.0 30.0 2 !4.3 Hz
 assign (resid 63 and name c) (resid 64 and name n)
   (resid 64 and name ca) (resid 64 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 64 and name c) (resid 65 and name n)
   (resid 65 and name ca) (resid 65 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 65 and name c) (resid 66 and name n)
   (resid 66 and name ca) (resid 66 and name c) 200. -63.0 30.0 2 !4.6 Hz
!
! third helix 9
 assign (resid 72 and name c) (resid 73 and name n)
   (resid 73 and name ca) (resid 73 and name c) 200. -62.0 30.0 2 !4.4 Hz
 assign (resid 73 and name c) (resid 74 and name n)
   (resid 74 and name ca) (resid 74 and name c) 200. -80.0 30.0 2 !6.7 Hz
 assign (resid 74 and name c) (resid 75 and name n)
   (resid 75 and name ca) (resid 75 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 75 and name c) (resid 76 and name n)
   (resid 76 and name ca) (resid 76 and name c) 200. -59.0 30.0 2 !4.0 Hz
 assign (resid 76 and name c) (resid 77 and name n)
   (resid 77 and name ca) (resid 77 and name c) 200. -73.0 30.0 2 !5.8 Hz
 assign (resid 78 and name c) (resid 79 and name n)
   (resid 79 and name ca) (resid 79 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 79 and name c) (resid 80 and name n)
   (resid 80 and name ca) (resid 80 and name c) 200. -80.5 30.0 2 !6.8 Hz
 assign (resid 80 and name c) (resid 81 and name n)
   (resid 81 and name ca) (resid 81 and name c) 200. -71.0 30.0 2 !5.55 Hz
 assign (resid 81 and name c) (resid 82 and name n)
   (resid 82 and name ca) (resid 82 and name c) 200. -33.0 33.0 2 ! <5 Hz
!
! fourth helix 17 
 assign (resid 103 and name c) (resid 104 and name n)
   (resid 104 and name ca) (resid 104 and name c) 200. -55.5 30.0 2 !3.7 Hz
 assign (resid 104 and name c) (resid 105 and name n)
   (resid 105 and name ca) (resid 105 and name c) 200. -66.0 30.0 2 !4.9 Hz
 assign (resid 105 and name c) (resid 106 and name n)
   (resid 106 and name ca) (resid 106 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 106 and name c) (resid 107 and name n)
   (resid 107 and name ca) (resid 107 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 107 and name c) (resid 108 and name n)
   (resid 108 and name ca) (resid 108 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 108 and name c) (resid 109 and name n)
   (resid 109 and name ca) (resid 109 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 109 and name c) (resid 110 and name n)
   (resid 110 and name ca) (resid 110 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 110 and name c) (resid 111 and name n)
   (resid 111 and name ca) (resid 111 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 111 and name c) (resid 112 and name n)
   (resid 112 and name ca) (resid 112 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 112 and name c) (resid 113 and name n)
   (resid 113 and name ca) (resid 113 and name c) 200. -63.5 30.0 2 !4.6 Hz
 assign (resid 113 and name c) (resid 114 and name n)
   (resid 114 and name ca) (resid 114 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 114 and name c) (resid 115 and name n)
   (resid 115 and name ca) (resid 115 and name c) 200. -55.0 30.0 2 !3.6 Hz
 assign (resid 115 and name c) (resid 116 and name n)
   (resid 116 and name ca) (resid 116 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 116 and name c) (resid 117 and name n)
   (resid 117 and name ca) (resid 117 and name c) 200. -83.0 33.0 2 !7.1 Hz
 assign (resid 117 and name c) (resid 118 and name n)
   (resid 118 and name ca) (resid 118 and name c) 200. -33.0 33.0 2 !<5 Hz
 assign (resid 118 and name c) (resid 119 and name n)
   (resid 119 and name ca) (resid 119 and name c) 200. -70.5 30.0 2 !5.5 Hz
 assign (resid 119 and name c) (resid 120 and name n)
   (resid 120 and name ca) (resid 120 and name c) 200. -76.5 30.0 2 !6.3 Hz
!
! J>8.0 Hz 10 
 assign (resid 52 and name c) (resid 53 and name n)
   (resid 53 and name ca) (resid 53 and name c) 200. -120.0 30.0 2 !9.4 Hz
 assign (resid 66 and name c) (resid 67 and name n)
   (resid 67 and name ca) (resid 67 and name c) 200. -120.0 30.0 2 !9.9 Hz
 assign (resid 67 and name c) (resid 68 and name n)
   (resid 68 and name ca) (resid 68 and name c) 200. -120.0 30.0 2 !8.9 Hz
 assign (resid 70 and name c) (resid 71 and name n)
   (resid 71 and name ca) (resid 71 and name c) 200. -120.0 30.0 2 !8.5 Hz
 assign (resid 83 and name c) (resid 84 and name n)
   (resid 84 and name ca) (resid 84 and name c) 200. -120.0 30.0 2 !8.2 Hz 
 assign (resid 84 and name c) (resid 85 and name n)
   (resid 85 and name ca) (resid 85 and name c) 200. -120.0 30.0 2 !8.2 Hz  
 assign (resid 88 and name c) (resid 89 and name n)
   (resid 89 and name ca) (resid 89 and name c) 200. -120.0 30.0 2 !9.5 Hz  
 assign (resid 92 and name c) (resid 93 and name n)
   (resid 93 and name ca) (resid 93 and name c) 200. -120.0 30.0 2 !8.8 Hz  
 assign (resid 98 and name c) (resid 99 and name n)
   (resid 99 and name ca) (resid 99 and name c) 200. -120.0 30.0 2 !8.9 Hz  
 assign (resid 102 and name c) (resid 103 and name n)
   (resid 103 and name ca) (resid 103 and name c) 200. -120.0 30.0 2 !8.3 Hz  
 !
 ! other j< 6.0 Hz x17
 assign (resid 87 and name c) (resid 88 and name n)
   (resid 88 and name ca) (resid 88 and name c) 200. -68.0 30.0 2 !5.2 Hz
 assign (resid 14 and name c) (resid 15 and name n)
   (resid 15 and name ca) (resid 15 and name c) 200. -90.0 90.0 2 !<5 Hz
 assign (resid 28 and name c) (resid 29 and name n)
   (resid 29 and name ca) (resid 29 and name c) 200. -90.0 90.0 2 !5.7 Hz
 assign (resid 33 and name c) (resid 34 and name n)
   (resid 34 and name ca) (resid 34 and name c) 200. -90.0 90.0 2 !5.8 Hz
 assign (resid 49 and name c) (resid 50 and name n)
   (resid 50 and name ca) (resid 50 and name c) 200. -90.0 90.0 2 !<5.0 Hz
 assign (resid 50 and name c) (resid 51 and name n)
   (resid 51 and name ca) (resid 51 and name c) 200. -90.0 90.0 2 !<5.0 Hz
 assign (resid 51 and name c) (resid 52 and name n)
   (resid 52 and name ca) (resid 52 and name c) 200. -70.5 30.0 2 !5.5 Hz
 assign (resid 53 and name c) (resid 54 and name n)
   (resid 54 and name ca) (resid 54 and name c) 200. -90.0 90.0 2 !<5.0 Hz
 assign (resid 54 and name c) (resid 55 and name n)
   (resid 55 and name ca) (resid 55 and name c) 200. -90.0 90.0 2 !5.3 Hz
 assign (resid 68 and name c) (resid 69 and name n)
   (resid 69 and name ca) (resid 69 and name c) 200. -65.0 30.0 2 !4.8 Hz
 assign (resid 81 and name c) (resid 82 and name n)
   (resid 82 and name ca) (resid 82 and name c) 200. -90.0 90.0 2 !<5 Hz
 assign (resid 86 and name c) (resid 87 and name n)
   (resid 87 and name ca) (resid 87 and name c) 200. -90.0 90.0 2 !5.3 Hz
 assign (resid 89 and name c) (resid 90 and name n)
   (resid 90 and name ca) (resid 90 and name c) 200. -90.0 90.0 2 !5.5 Hz
 assign (resid 97 and name c) (resid 98 and name n)
   (resid 98 and name ca) (resid 98 and name c) 200. -90.0 90.0 2 !<5 Hz
 assign (resid 99 and name c) (resid 100 and name n)
   (resid 100 and name ca) (resid 100 and name c) 200. -90.0 90.0 2 !<5 Hz
 assign (resid 100 and name c) (resid 101 and name n)
   (resid 101 and name ca) (resid 101 and name c) 200. -90.0 90.0 2 !<5 Hz
 assign (resid 69 and name c) (resid 70 and name n)
   (resid 70 and name ca) (resid 70 and name c) 200. 90.0 83.0 2 ! 6.0 Hz

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA  14           HT3      ALA  14   6.977  21.034   2.629
    2   2H    ALA  14           HT2      ALA  14   8.191  19.886   2.938
    3   3H    ALA  14           HT1      ALA  14   8.199  20.765   1.483
    4    HA   ALA  14           HA       ALA  14   6.199  19.691   0.745
    5   1HB   ALA  14           HB3      ALA  14   8.582  18.123   1.597
    6   2HB   ALA  14           HB2      ALA  14   7.162  17.200   1.106
    7   3HB   ALA  14           HB1      ALA  14   7.900  18.346  -0.014
    8    H    ASN  15           HN       ASN  15   5.130  17.318   1.303
    9    HA   ASN  15           HA       ASN  15   4.465  17.133   4.175
   10   1HB   ASN  15           HB2      ASN  15   2.539  18.000   2.028
   11   2HB   ASN  15           HB1      ASN  15   1.958  17.109   3.435
   12   1HD2  ASN  15          HD22      ASN  15   2.192  20.937   3.971
   13   2HD2  ASN  15          HD21      ASN  15   1.705  20.085   2.586
   14    H    CYS  16           HN       CYS  16   5.881  15.264   2.891
   15    HA   CYS  16           HA       CYS  16   4.518  13.268   1.412
   16   1HB   CYS  16           HB2      CYS  16   7.083  13.611   2.506
   17   2HB   CYS  16           HB1      CYS  16   6.478  12.139   3.260
   18    H    SER  17           HN       SER  17   4.624  13.862   4.894
   19    HA   SER  17           HA       SER  17   3.473  11.362   5.658
   20   1HB   SER  17           HB2      SER  17   2.832  12.577   7.759
   21   2HB   SER  17           HB1      SER  17   4.546  12.577   7.355
   22    HG   SER  17           HG       SER  17   3.963  14.673   7.850
   23    H    ILE  18           HN       ILE  18   2.037  14.452   4.724
   24    HA   ILE  18           HA       ILE  18  -0.665  13.726   5.436
   25    HB   ILE  18           HB       ILE  18   0.260  15.698   3.323
   26   1HG1  ILE  18          HG12      ILE  18  -0.370  16.151   6.258
   27   2HG1  ILE  18          HG11      ILE  18   1.259  16.084   5.587
   28   1HG2  ILE  18          HG22      ILE  18  -2.351  14.995   4.567
   29   2HG2  ILE  18          HG21      ILE  18  -2.021  16.714   4.358
   30   3HG2  ILE  18          HG23      ILE  18  -2.008  15.637   2.961
   31   1HD1  ILE  18          HD13      ILE  18   0.196  17.901   3.913
   32   2HD1  ILE  18          HD12      ILE  18  -0.812  18.207   5.327
   33   3HD1  ILE  18          HD11      ILE  18   0.942  18.355   5.446
   34    H    MET  19           HN       MET  19   1.324  13.295   2.560
   35    HA   MET  19           HA       MET  19  -0.733  12.462   0.760
   36   1HB   MET  19           HB2      MET  19   2.232  12.093   0.922
   37   2HB   MET  19           HB1      MET  19   1.324  11.106  -0.223
   38   1HG   MET  19           HG2      MET  19   0.249  13.271  -1.038
   39   2HG   MET  19           HG1      MET  19   1.466  14.124  -0.089
   40   1HE   MET  19           HE3      MET  19   3.586  14.297  -0.308
   41   2HE   MET  19           HE2      MET  19   4.647  13.881  -1.652
   42   3HE   MET  19           HE1      MET  19   3.449  15.158  -1.847
   43    H    ILE  20           HN       ILE  20   0.638  10.853   3.508
   44    HA   ILE  20           HA       ILE  20  -0.064   8.162   2.542
   45    HB   ILE  20           HB       ILE  20   0.855   9.057   5.293
   46   1HG1  ILE  20          HG12      ILE  20   2.696   7.614   3.472
   47   2HG1  ILE  20          HG11      ILE  20   2.299   9.259   2.978
   48   1HG2  ILE  20          HG23      ILE  20   0.476   6.377   3.955
   49   2HG2  ILE  20          HG22      ILE  20   1.623   6.575   5.278
   50   3HG2  ILE  20          HG21      ILE  20  -0.088   6.905   5.540
   51   1HD1  ILE  20          HD13      ILE  20   2.741   9.550   5.691
   52   2HD1  ILE  20          HD12      ILE  20   3.939   8.343   5.234
   53   3HD1  ILE  20          HD11      ILE  20   3.915   9.905   4.424
   54    H    ASP  21           HN       ASP  21  -0.954   9.823   5.587
   55    HA   ASP  21           HA       ASP  21  -3.253   8.242   6.079
   56   1HB   ASP  21           HB2      ASP  21  -1.953   9.953   7.596
   57   2HB   ASP  21           HB1      ASP  21  -3.141  11.101   6.979
   58    H    GLU  22           HN       GLU  22  -2.821  10.859   3.852
   59    HA   GLU  22           HA       GLU  22  -5.606  11.666   3.732
   60   1HB   GLU  22           HB2      GLU  22  -3.726  13.125   2.988
   61   2HB   GLU  22           HB1      GLU  22  -3.435  12.020   1.644
   62   1HG   GLU  22           HG2      GLU  22  -5.882  12.390   0.997
   63   2HG   GLU  22           HG1      GLU  22  -5.882  13.723   2.153
   64    H    ILE  23           HN       ILE  23  -3.633   9.315   1.916
   65    HA   ILE  23           HA       ILE  23  -5.721   8.790  -0.001
   66    HB   ILE  23           HB       ILE  23  -3.589   6.802   0.779
   67   1HG1  ILE  23          HG12      ILE  23  -3.333   8.822  -1.454
   68   2HG1  ILE  23          HG11      ILE  23  -2.776   9.216   0.170
   69   1HG2  ILE  23          HG22      ILE  23  -5.779   6.787  -1.014
   70   2HG2  ILE  23          HG21      ILE  23  -4.352   7.031  -2.018
   71   3HG2  ILE  23          HG23      ILE  23  -4.451   5.631  -0.952
   72   1HD1  ILE  23          HD11      ILE  23  -1.646   6.787  -0.081
   73   2HD1  ILE  23          HD13      ILE  23  -1.684   7.254  -1.781
   74   3HD1  ILE  23          HD12      ILE  23  -0.838   8.262  -0.608
   75    H    ILE  24           HN       ILE  24  -5.088   7.665   3.255
   76    HA   ILE  24           HA       ILE  24  -6.661   5.287   3.259
   77    HB   ILE  24           HB       ILE  24  -6.301   7.382   5.434
   78   1HG1  ILE  24          HG12      ILE  24  -4.211   6.309   4.643
   79   2HG1  ILE  24          HG11      ILE  24  -4.597   5.829   6.294
   80   1HG2  ILE  24          HG21      ILE  24  -7.650   4.697   5.420
   81   2HG2  ILE  24          HG23      ILE  24  -6.813   5.236   6.876
   82   3HG2  ILE  24          HG22      ILE  24  -8.145   6.188   6.221
   83   1HD1  ILE  24          HD13      ILE  24  -5.692   3.755   5.346
   84   2HD1  ILE  24          HD12      ILE  24  -5.051   4.212   3.768
   85   3HD1  ILE  24          HD11      ILE  24  -3.948   3.834   5.091
   86    H    HIS  25           HN       HIS  25  -7.508   8.665   3.125
   87    HA   HIS  25           HA       HIS  25 -10.281   8.473   3.808
   88   1HB   HIS  25           HB2      HIS  25  -8.967  10.603   3.727
   89   2HB   HIS  25           HB1      HIS  25  -8.888  10.454   1.972
   90    HD1  HIS  25           HD1      HIS  25 -10.834  12.053   4.493
   91    HD2  HIS  25           HD2      HIS  25 -11.770  10.146   0.906
   92    HE1  HIS  25           HE1      HIS  25 -13.146  12.853   3.838
   93    H    HIS  26           HN       HIS  26  -8.494   8.230   0.695
   94    HA   HIS  26           HA       HIS  26 -11.009   7.737  -0.761
   95   1HB   HIS  26           HB2      HIS  26  -8.126   8.074  -1.488
   96   2HB   HIS  26           HB1      HIS  26  -9.179   7.219  -2.615
   97    HD1  HIS  26           HD1      HIS  26  -7.924  10.383  -2.444
   98    HD2  HIS  26           HD2      HIS  26 -11.871   9.041  -2.463
   99    HE1  HIS  26           HE1      HIS  26  -9.340  12.333  -3.221
  100    H    LEU  27           HN       LEU  27  -9.393   5.816   1.310
  101    HA   LEU  27           HA       LEU  27  -9.655   3.379  -0.402
  102   1HB   LEU  27           HB2      LEU  27  -7.785   4.154   1.796
  103   2HB   LEU  27           HB1      LEU  27  -8.259   2.459   1.695
  104    HG   LEU  27           HG       LEU  27  -7.642   2.622  -0.808
  105   1HD1  LEU  27          HD12      LEU  27  -7.538   5.189  -0.619
  106   2HD1  LEU  27          HD11      LEU  27  -5.980   4.941   0.167
  107   3HD1  LEU  27          HD13      LEU  27  -6.227   4.397  -1.491
  108   1HD2  LEU  27          HD21      LEU  27  -6.296   1.486   1.000
  109   2HD2  LEU  27          HD23      LEU  27  -5.320   2.125  -0.322
  110   3HD2  LEU  27          HD22      LEU  27  -5.407   2.994   1.208
  111    H    LYS  28           HN       LYS  28 -12.052   4.166   0.445
  112    HA   LYS  28           HA       LYS  28 -12.792   2.120   2.409
  113   1HB   LYS  28           HB2      LYS  28 -12.126   4.476   3.531
  114   2HB   LYS  28           HB1      LYS  28 -13.808   4.826   3.131
  115   1HG   LYS  28           HG2      LYS  28 -14.222   2.436   4.194
  116   2HG   LYS  28           HG1      LYS  28 -12.695   2.776   5.011
  117   1HD   LYS  28           HD2      LYS  28 -14.211   3.708   6.511
  118   2HD   LYS  28           HD1      LYS  28 -13.830   5.107   5.506
  119   1HE   LYS  28           HE2      LYS  28 -15.891   5.119   4.499
  120   2HE   LYS  28           HE1      LYS  28 -16.048   3.364   4.563
  121   1HZ   LYS  28           HZ3      LYS  28 -16.203   5.100   6.961
  122   2HZ   LYS  28           HZ2      LYS  28 -17.567   4.620   6.070
  123   3HZ   LYS  28           HZ1      LYS  28 -16.604   3.456   6.847
  124    H    ARG  29           HN       ARG  29 -13.703   1.700   0.109
  125    HA   ARG  29           HA       ARG  29 -16.515   2.610   0.111
  126   1HB   ARG  29           HB2      ARG  29 -14.488   3.381  -1.924
  127   2HB   ARG  29           HB1      ARG  29 -16.050   2.848  -2.546
  128   1HG   ARG  29           HG2      ARG  29 -17.221   4.540  -1.336
  129   2HG   ARG  29           HG1      ARG  29 -15.806   4.915  -0.352
  130   1HD   ARG  29           HD2      ARG  29 -14.870   6.226  -1.965
  131   2HD   ARG  29           HD1      ARG  29 -15.399   5.167  -3.273
  132    HE   ARG  29           HE       ARG  29 -17.268   6.558  -3.532
  133   1HH1  ARG  29          HH21      ARG  29 -15.972   6.930  -0.305
  134   2HH1  ARG  29          HH22      ARG  29 -17.091   8.181   0.109
  135   1HH2  ARG  29          HH11      ARG  29 -18.697   8.180  -2.955
  136   2HH2  ARG  29          HH12      ARG  29 -18.617   8.884  -1.374
  137    HA   PRO  30           HA       PRO  30 -15.791  -1.806  -1.142
  138   1HB   PRO  30           HB2      PRO  30 -17.300  -2.952   0.848
  139   2HB   PRO  30           HB1      PRO  30 -15.567  -2.617   1.000
  140   1HG   PRO  30           HG2      PRO  30 -17.872  -1.171   2.220
  141   2HG   PRO  30           HG1      PRO  30 -16.201  -1.308   2.794
  142   1HD   PRO  30           HD2      PRO  30 -17.320   0.930   1.474
  143   2HD   PRO  30           HD1      PRO  30 -15.590   0.639   1.752
  144    HA   PRO  31           HA       PRO  31 -19.912  -1.323  -2.979
  145   1HB   PRO  31           HB2      PRO  31 -19.544  -3.106  -5.038
  146   2HB   PRO  31           HB1      PRO  31 -18.969  -1.431  -5.077
  147   1HG   PRO  31           HG2      PRO  31 -17.407  -3.939  -4.704
  148   2HG   PRO  31           HG1      PRO  31 -16.880  -2.372  -5.338
  149   1HD   PRO  31           HD2      PRO  31 -16.387  -3.362  -2.729
  150   2HD   PRO  31           HD1      PRO  31 -16.140  -1.693  -3.282
  151    H    ASN  32           HN       ASN  32 -18.813  -4.666  -3.511
  152    HA   ASN  32           HA       ASN  32 -20.703  -5.694  -1.496
  153   1HB   ASN  32           HB2      ASN  32 -20.986  -6.240  -4.465
  154   2HB   ASN  32           HB1      ASN  32 -21.766  -7.213  -3.218
  155   1HD2  ASN  32          HD22      ASN  32 -23.188  -3.468  -4.044
  156   2HD2  ASN  32          HD21      ASN  32 -21.707  -3.979  -4.697
  157    HA   PRO  33           HA       PRO  33 -17.637  -8.839  -1.308
  158   1HB   PRO  33           HB2      PRO  33 -19.073 -10.962  -0.366
  159   2HB   PRO  33           HB1      PRO  33 -18.567  -9.588   0.632
  160   1HG   PRO  33           HG2      PRO  33 -21.250 -10.226  -0.460
  161   2HG   PRO  33           HG1      PRO  33 -20.813  -9.303   0.985
  162   1HD   PRO  33           HD2      PRO  33 -21.649  -8.212  -1.483
  163   2HD   PRO  33           HD1      PRO  33 -20.879  -7.318  -0.153
  164    H    LEU  34           HN       LEU  34 -16.751  -9.922  -3.026
  165    HA   LEU  34           HA       LEU  34 -18.569 -11.599  -4.713
  166   1HB   LEU  34           HB2      LEU  34 -16.495  -9.584  -5.450
  167   2HB   LEU  34           HB1      LEU  34 -16.619 -11.023  -6.461
  168    HG   LEU  34           HG       LEU  34 -19.157  -9.637  -5.719
  169   1HD1  LEU  34          HD12      LEU  34 -16.965  -8.470  -7.365
  170   2HD1  LEU  34          HD11      LEU  34 -18.601  -8.341  -8.012
  171   3HD1  LEU  34          HD13      LEU  34 -18.222  -7.660  -6.430
  172   1HD2  LEU  34          HD21      LEU  34 -18.045 -11.140  -8.097
  173   2HD2  LEU  34          HD23      LEU  34 -19.379 -11.608  -7.042
  174   3HD2  LEU  34          HD22      LEU  34 -19.577 -10.270  -8.174
  175    H    LEU  35           HN       LEU  35 -16.818 -12.991  -6.204
  176    HA   LEU  35           HA       LEU  35 -15.170 -14.437  -4.172
  177   1HB   LEU  35           HB2      LEU  35 -16.234 -15.478  -6.815
  178   2HB   LEU  35           HB1      LEU  35 -15.451 -16.421  -5.547
  179    HG   LEU  35           HG       LEU  35 -17.381 -15.413  -4.044
  180   1HD1  LEU  35          HD13      LEU  35 -18.264 -14.960  -6.868
  181   2HD1  LEU  35          HD12      LEU  35 -19.469 -15.493  -5.696
  182   3HD1  LEU  35          HD11      LEU  35 -18.580 -13.994  -5.426
  183   1HD2  LEU  35          HD22      LEU  35 -17.584 -17.683  -6.034
  184   2HD2  LEU  35          HD21      LEU  35 -17.191 -17.773  -4.317
  185   3HD2  LEU  35          HD23      LEU  35 -18.835 -17.387  -4.827
  186    H    ASP  36           HN       ASP  36 -14.327 -12.055  -5.736
  187    HA   ASP  36           HA       ASP  36 -12.525 -12.993  -7.824
  188   1HB   ASP  36           HB2      ASP  36 -13.125 -10.383  -6.496
  189   2HB   ASP  36           HB1      ASP  36 -11.573 -10.548  -7.317
  190    HA   PRO  37           HA       PRO  37  -9.113 -14.006  -5.261
  191   1HB   PRO  37           HB2      PRO  37  -7.007 -13.480  -6.943
  192   2HB   PRO  37           HB1      PRO  37  -8.049 -14.907  -7.077
  193   1HG   PRO  37           HG2      PRO  37  -8.026 -12.433  -8.747
  194   2HG   PRO  37           HG1      PRO  37  -8.507 -14.082  -9.187
  195   1HD   PRO  37           HD2      PRO  37 -10.276 -11.983  -8.577
  196   2HD   PRO  37           HD1      PRO  37 -10.694 -13.708  -8.609
  197    H    ASN  38           HN       ASN  38  -9.673 -10.811  -6.242
  198    HA   ASN  38           HA       ASN  38  -7.389  -9.337  -5.512
  199   1HB   ASN  38           HB2      ASN  38  -9.091  -7.544  -4.872
  200   2HB   ASN  38           HB1      ASN  38  -9.233  -8.193  -6.504
  201   1HD2  ASN  38          HD22      ASN  38 -12.691  -8.435  -5.513
  202   2HD2  ASN  38          HD21      ASN  38 -11.577  -7.408  -6.275
  203    H    ASN  39           HN       ASN  39  -6.420 -10.384  -3.584
  204    HA   ASN  39           HA       ASN  39  -7.180  -9.235  -1.077
  205   1HB   ASN  39           HB2      ASN  39  -8.834 -11.344  -1.721
  206   2HB   ASN  39           HB1      ASN  39  -7.591 -12.139  -0.755
  207   1HD2  ASN  39          HD22      ASN  39  -8.674 -10.701   2.284
  208   2HD2  ASN  39          HD21      ASN  39  -7.565 -11.727   1.511
  209    H    LEU  40           HN       LEU  40  -5.736  -9.981   0.699
  210    HA   LEU  40           HA       LEU  40  -3.278 -11.301  -0.385
  211   1HB   LEU  40           HB2      LEU  40  -2.037 -10.145   1.435
  212   2HB   LEU  40           HB1      LEU  40  -2.843  -8.999   0.372
  213    HG   LEU  40           HG       LEU  40  -4.325  -9.956   2.785
  214   1HD1  LEU  40          HD13      LEU  40  -1.949  -9.364   3.482
  215   2HD1  LEU  40          HD12      LEU  40  -2.270  -7.731   2.900
  216   3HD1  LEU  40          HD11      LEU  40  -3.213  -8.392   4.236
  217   1HD2  LEU  40          HD22      LEU  40  -4.452  -7.811   0.806
  218   2HD2  LEU  40          HD21      LEU  40  -5.692  -8.373   1.922
  219   3HD2  LEU  40          HD23      LEU  40  -4.512  -7.175   2.448
  220    H    ASN  41           HN       ASN  41  -2.043 -12.592   1.260
  221    HA   ASN  41           HA       ASN  41  -3.956 -14.121   2.966
  222   1HB   ASN  41           HB2      ASN  41  -2.176 -15.018   1.050
  223   2HB   ASN  41           HB1      ASN  41  -1.275 -15.271   2.544
  224   1HD2  ASN  41          HD22      ASN  41  -4.655 -17.473   1.823
  225   2HD2  ASN  41          HD21      ASN  41  -4.309 -16.116   0.864
  226    H    SER  42           HN       SER  42  -2.325 -15.309   4.768
  227    HA   SER  42           HA       SER  42  -1.757 -13.213   6.650
  228   1HB   SER  42           HB2      SER  42  -0.527 -15.935   6.913
  229   2HB   SER  42           HB1      SER  42  -1.251 -14.915   8.153
  230    HG   SER  42           HG       SER  42  -2.395 -16.763   6.487
  231    H    GLU  43           HN       GLU  43   0.297 -15.142   4.492
  232    HA   GLU  43           HA       GLU  43   2.811 -14.196   5.507
  233   1HB   GLU  43           HB2      GLU  43   2.437 -16.199   3.983
  234   2HB   GLU  43           HB1      GLU  43   2.249 -15.049   2.658
  235   1HG   GLU  43           HG2      GLU  43   4.472 -14.487   2.645
  236   2HG   GLU  43           HG1      GLU  43   4.641 -14.694   4.389
  237    H    ASP  44           HN       ASP  44   0.707 -13.061   2.867
  238    HA   ASP  44           HA       ASP  44   2.414 -10.994   1.902
  239   1HB   ASP  44           HB2      ASP  44  -0.570 -11.408   1.872
  240   2HB   ASP  44           HB1      ASP  44   0.144  -9.938   1.208
  241    H    MET  45           HN       MET  45   0.203 -11.118   4.642
  242    HA   MET  45           HA       MET  45   0.060  -8.321   5.178
  243   1HB   MET  45           HB2      MET  45  -0.353 -10.824   6.752
  244   2HB   MET  45           HB1      MET  45  -0.110  -9.335   7.666
  245   1HG   MET  45           HG2      MET  45  -1.874  -8.379   5.926
  246   2HG   MET  45           HG1      MET  45  -2.337 -10.077   5.810
  247   1HE   MET  45           HE2      MET  45  -4.357 -10.476   6.740
  248   2HE   MET  45           HE1      MET  45  -3.375 -11.501   7.784
  249   3HE   MET  45           HE3      MET  45  -4.693 -10.541   8.468
  250    H    ASP  46           HN       ASP  46   2.325 -10.826   6.337
  251    HA   ASP  46           HA       ASP  46   3.932  -9.172   7.998
  252   1HB   ASP  46           HB2      ASP  46   4.472 -11.692   6.437
  253   2HB   ASP  46           HB1      ASP  46   5.771 -10.890   7.322
  254    H    ILE  47           HN       ILE  47   3.814  -9.498   4.516
  255    HA   ILE  47           HA       ILE  47   6.356  -8.292   3.914
  256    HB   ILE  47           HB       ILE  47   3.796  -8.438   2.304
  257   1HG1  ILE  47          HG12      ILE  47   6.277 -10.176   2.237
  258   2HG1  ILE  47          HG11      ILE  47   4.768 -10.623   3.032
  259   1HG2  ILE  47          HG22      ILE  47   6.470  -7.325   1.735
  260   2HG2  ILE  47          HG21      ILE  47   5.816  -8.386   0.490
  261   3HG2  ILE  47          HG23      ILE  47   4.914  -6.956   0.990
  262   1HD1  ILE  47          HD12      ILE  47   3.707 -10.074   0.685
  263   2HD1  ILE  47          HD11      ILE  47   5.349 -10.337   0.101
  264   3HD1  ILE  47          HD13      ILE  47   4.497 -11.629   0.947
  265    H    LEU  48           HN       LEU  48   3.136  -6.822   3.371
  266    HA   LEU  48           HA       LEU  48   3.970  -4.168   3.150
  267   1HB   LEU  48           HB2      LEU  48   1.349  -5.220   4.243
  268   2HB   LEU  48           HB1      LEU  48   1.633  -3.555   3.742
  269    HG   LEU  48           HG       LEU  48   2.082  -5.904   1.881
  270   1HD1  LEU  48          HD11      LEU  48  -0.397  -5.230   2.907
  271   2HD1  LEU  48          HD13      LEU  48  -0.326  -4.233   1.454
  272   3HD1  LEU  48          HD12      LEU  48  -0.139  -5.981   1.335
  273   1HD2  LEU  48          HD23      LEU  48   3.118  -3.621   1.417
  274   2HD2  LEU  48          HD22      LEU  48   2.052  -4.232   0.153
  275   3HD2  LEU  48          HD21      LEU  48   1.478  -2.997   1.267
  276    H    MET  49           HN       MET  49   3.831  -6.093   6.052
  277    HA   MET  49           HA       MET  49   3.712  -3.722   7.795
  278   1HB   MET  49           HB2      MET  49   2.652  -5.915   8.442
  279   2HB   MET  49           HB1      MET  49   4.278  -6.583   8.605
  280   1HG   MET  49           HG2      MET  49   4.828  -5.113  10.382
  281   2HG   MET  49           HG1      MET  49   3.475  -4.043  10.025
  282   1HE   MET  49           HE3      MET  49   1.619  -3.933  10.790
  283   2HE   MET  49           HE2      MET  49   0.616  -5.051  11.712
  284   3HE   MET  49           HE1      MET  49   1.913  -4.172  12.518
  285    H    GLU  50           HN       GLU  50   6.170  -5.974   6.577
  286    HA   GLU  50           HA       GLU  50   8.283  -5.269   8.361
  287   1HB   GLU  50           HB2      GLU  50   8.067  -6.649   5.779
  288   2HB   GLU  50           HB1      GLU  50   9.541  -5.688   5.891
  289   1HG   GLU  50           HG2      GLU  50  10.136  -7.788   6.804
  290   2HG   GLU  50           HG1      GLU  50   9.864  -6.755   8.208
  291    H    ARG  51           HN       ARG  51   8.912  -3.214   8.730
  292    HA   ARG  51           HA       ARG  51   8.368  -0.954   7.188
  293   1HB   ARG  51           HB2      ARG  51  10.519   0.017   8.298
  294   2HB   ARG  51           HB1      ARG  51   9.158  -0.437   9.317
  295   1HG   ARG  51           HG2      ARG  51  10.380  -1.991  10.388
  296   2HG   ARG  51           HG1      ARG  51  10.903  -2.715   8.873
  297   1HD   ARG  51           HD2      ARG  51  12.923  -1.982   9.831
  298   2HD   ARG  51           HD1      ARG  51  12.517  -0.677   8.715
  299    HE   ARG  51           HE       ARG  51  12.279   0.735  10.576
  300   1HH1  ARG  51          HH21      ARG  51  11.939  -2.599  11.578
  301   2HH1  ARG  51          HH22      ARG  51  11.821  -2.188  13.253
  302   1HH2  ARG  51          HH11      ARG  51  12.120   1.221  12.754
  303   2HH2  ARG  51          HH12      ARG  51  11.921  -0.049  13.915
  304    H    ASN  52           HN       ASN  52  11.273  -3.006   6.986
  305    HA   ASN  52           HA       ASN  52  12.528  -1.404   4.947
  306   1HB   ASN  52           HB2      ASN  52  13.361  -3.463   6.547
  307   2HB   ASN  52           HB1      ASN  52  13.185  -4.287   4.998
  308   1HD2  ASN  52          HD22      ASN  52  15.483  -1.631   3.547
  309   2HD2  ASN  52          HD21      ASN  52  13.837  -1.955   3.334
  310    H    LEU  53           HN       LEU  53  10.253  -4.110   4.882
  311    HA   LEU  53           HA       LEU  53  10.520  -4.341   1.958
  312   1HB   LEU  53           HB2      LEU  53   8.909  -5.820   4.029
  313   2HB   LEU  53           HB1      LEU  53   8.564  -6.010   2.318
  314    HG   LEU  53           HG       LEU  53  10.105  -7.762   3.115
  315   1HD1  LEU  53          HD11      LEU  53  10.241  -6.601   0.789
  316   2HD1  LEU  53          HD13      LEU  53  11.732  -5.891   1.409
  317   3HD1  LEU  53          HD12      LEU  53  11.573  -7.643   1.289
  318   1HD2  LEU  53          HD23      LEU  53  11.142  -6.306   4.904
  319   2HD2  LEU  53          HD22      LEU  53  12.303  -7.226   3.950
  320   3HD2  LEU  53          HD21      LEU  53  12.066  -5.509   3.631
  321    H    ARG  54           HN       ARG  54   9.221  -1.913   3.502
  322    HA   ARG  54           HA       ARG  54   6.438  -1.982   2.589
  323   1HB   ARG  54           HB2      ARG  54   7.301  -0.607   4.540
  324   2HB   ARG  54           HB1      ARG  54   8.121   0.431   3.383
  325   1HG   ARG  54           HG2      ARG  54   6.105   1.562   3.714
  326   2HG   ARG  54           HG1      ARG  54   5.782   0.630   2.258
  327   1HD   ARG  54           HD2      ARG  54   3.879   0.279   3.637
  328   2HD   ARG  54           HD1      ARG  54   4.833  -1.185   3.835
  329    HE   ARG  54           HE       ARG  54   4.490   0.972   5.836
  330   1HH1  ARG  54          HH21      ARG  54   5.991  -2.071   4.989
  331   2HH1  ARG  54          HH22      ARG  54   6.387  -2.419   6.627
  332   1HH2  ARG  54          HH11      ARG  54   5.059   0.472   7.922
  333   2HH2  ARG  54          HH12      ARG  54   5.889  -1.008   8.263
  334    H    THR  55           HN       THR  55   9.387  -0.170   1.538
  335    HA   THR  55           HA       THR  55   8.267   1.125  -0.687
  336    HB   THR  55           HB       THR  55  10.911   0.718   0.364
  337    HG1  THR  55           HG1      THR  55  10.889   2.775   0.027
  338   1HG2  THR  55          HG21      THR  55  10.645   0.587  -2.645
  339   2HG2  THR  55          HG23      THR  55  12.108   1.140  -1.840
  340   3HG2  THR  55          HG22      THR  55  11.536  -0.509  -1.597
  341    HA   PRO  56           HA       PRO  56   9.630  -2.534  -3.483
  342   1HB   PRO  56           HB2      PRO  56   9.550  -5.024  -2.257
  343   2HB   PRO  56           HB1      PRO  56  11.022  -4.081  -2.530
  344   1HG   PRO  56           HG2      PRO  56   9.444  -4.419  -0.008
  345   2HG   PRO  56           HG1      PRO  56  11.190  -4.194  -0.221
  346   1HD   PRO  56           HD2      PRO  56   9.486  -2.191   0.568
  347   2HD   PRO  56           HD1      PRO  56  11.013  -1.878  -0.252
  348    H    ASN  57           HN       ASN  57   7.255  -2.802  -0.896
  349    HA   ASN  57           HA       ASN  57   5.253  -4.213  -2.482
  350   1HB   ASN  57           HB2      ASN  57   4.553  -2.193  -0.352
  351   2HB   ASN  57           HB1      ASN  57   3.683  -3.653  -0.808
  352   1HD2  ASN  57          HD22      ASN  57   6.522  -5.560   0.827
  353   2HD2  ASN  57          HD21      ASN  57   6.064  -5.389  -0.794
  354    H    LEU  58           HN       LEU  58   6.300  -0.881  -1.946
  355    HA   LEU  58           HA       LEU  58   4.176   0.421  -3.334
  356   1HB   LEU  58           HB2      LEU  58   6.257   1.344  -1.916
  357   2HB   LEU  58           HB1      LEU  58   6.896   1.570  -3.547
  358    HG   LEU  58           HG       LEU  58   4.079   2.403  -2.983
  359   1HD1  LEU  58          HD11      LEU  58   5.920   3.301  -1.256
  360   2HD1  LEU  58          HD13      LEU  58   6.211   4.435  -2.572
  361   3HD1  LEU  58          HD12      LEU  58   4.609   4.319  -1.849
  362   1HD2  LEU  58          HD22      LEU  58   5.630   2.414  -5.210
  363   2HD2  LEU  58          HD21      LEU  58   4.315   3.551  -4.940
  364   3HD2  LEU  58          HD23      LEU  58   5.975   4.016  -4.588
  365    H    LEU  59           HN       LEU  59   7.016  -1.305  -4.433
  366    HA   LEU  59           HA       LEU  59   6.974  -0.345  -7.153
  367   1HB   LEU  59           HB2      LEU  59   8.390  -2.353  -5.616
  368   2HB   LEU  59           HB1      LEU  59   7.862  -3.039  -7.152
  369    HG   LEU  59           HG       LEU  59   8.869  -1.106  -8.341
  370   1HD1  LEU  59          HD12      LEU  59   9.763  -0.352  -5.542
  371   2HD1  LEU  59          HD11      LEU  59  10.423   0.362  -7.014
  372   3HD1  LEU  59          HD13      LEU  59   8.721   0.589  -6.609
  373   1HD2  LEU  59          HD21      LEU  59  10.111  -3.296  -7.591
  374   2HD2  LEU  59          HD23      LEU  59  11.042  -1.960  -8.268
  375   3HD2  LEU  59          HD22      LEU  59  10.993  -2.204  -6.522
  376    H    ALA  60           HN       ALA  60   5.458  -3.048  -5.426
  377    HA   ALA  60           HA       ALA  60   4.006  -3.988  -7.788
  378   1HB   ALA  60           HB1      ALA  60   4.104  -4.712  -4.886
  379   2HB   ALA  60           HB3      ALA  60   2.703  -5.221  -5.829
  380   3HB   ALA  60           HB2      ALA  60   4.321  -5.738  -6.304
  381    H    PHE  61           HN       PHE  61   3.548  -1.405  -5.591
  382    HA   PHE  61           HA       PHE  61   0.602  -1.404  -5.798
  383   1HB   PHE  61           HB2      PHE  61   2.625   0.365  -4.420
  384   2HB   PHE  61           HB1      PHE  61   0.941   0.849  -4.569
  385    HD1  PHE  61           HD1      PHE  61  -0.639  -1.425  -4.174
  386    HD2  PHE  61           HD2      PHE  61   3.078  -0.485  -2.253
  387    HE1  PHE  61           HE1      PHE  61  -1.260  -2.871  -2.251
  388    HE2  PHE  61           HE2      PHE  61   2.468  -1.933  -0.349
  389    HZ   PHE  61           HZ       PHE  61   0.290  -3.123  -0.343
  390    H    VAL  62           HN       VAL  62   3.401   0.069  -7.273
  391    HA   VAL  62           HA       VAL  62   1.841   2.130  -8.650
  392    HB   VAL  62           HB       VAL  62   4.724   1.261  -9.066
  393   1HG1  VAL  62          HG13      VAL  62   3.631   2.542 -10.932
  394   2HG1  VAL  62          HG12      VAL  62   3.323   3.851  -9.791
  395   3HG1  VAL  62          HG11      VAL  62   4.981   3.398 -10.187
  396   1HG2  VAL  62          HG23      VAL  62   3.872   2.210  -6.741
  397   2HG2  VAL  62          HG22      VAL  62   5.378   2.799  -7.446
  398   3HG2  VAL  62          HG21      VAL  62   3.900   3.748  -7.604
  399    H    ARG  63           HN       ARG  63   3.100  -1.105  -9.204
  400    HA   ARG  63           HA       ARG  63   2.649  -1.059 -12.085
  401   1HB   ARG  63           HB2      ARG  63   3.435  -3.094 -10.042
  402   2HB   ARG  63           HB1      ARG  63   2.730  -3.683 -11.548
  403   1HG   ARG  63           HG2      ARG  63   4.814  -1.583 -11.821
  404   2HG   ARG  63           HG1      ARG  63   5.372  -3.161 -11.265
  405   1HD   ARG  63           HD2      ARG  63   3.482  -3.116 -13.572
  406   2HD   ARG  63           HD1      ARG  63   5.138  -2.590 -13.871
  407    HE   ARG  63           HE       ARG  63   4.297  -5.311 -13.432
  408   1HH1  ARG  63          HH21      ARG  63   6.885  -3.057 -12.755
  409   2HH1  ARG  63          HH22      ARG  63   8.072  -4.306 -12.618
  410   1HH2  ARG  63          HH11      ARG  63   5.866  -6.894 -13.246
  411   2HH2  ARG  63          HH12      ARG  63   7.504  -6.456 -12.894
  412    H    ALA  64           HN       ALA  64   0.977  -2.613  -9.298
  413    HA   ALA  64           HA       ALA  64  -1.230  -3.556 -10.848
  414   1HB   ALA  64           HB3      ALA  64  -0.534  -4.366  -8.567
  415   2HB   ALA  64           HB2      ALA  64  -1.213  -2.883  -7.899
  416   3HB   ALA  64           HB1      ALA  64  -2.259  -4.038  -8.725
  417    H    VAL  65           HN       VAL  65  -0.685  -0.486  -9.099
  418    HA   VAL  65           HA       VAL  65  -3.384   0.410  -9.242
  419    HB   VAL  65           HB       VAL  65  -1.641   1.484  -7.824
  420   1HG1  VAL  65          HG11      VAL  65   0.077   1.513  -9.682
  421   2HG1  VAL  65          HG13      VAL  65  -0.790   2.887 -10.359
  422   3HG1  VAL  65          HG12      VAL  65  -0.058   3.005  -8.758
  423   1HG2  VAL  65          HG23      VAL  65  -3.199   3.214  -9.765
  424   2HG2  VAL  65          HG22      VAL  65  -3.737   2.633  -8.189
  425   3HG2  VAL  65          HG21      VAL  65  -2.444   3.827  -8.293
  426    H    LYS  66           HN       LYS  66  -0.950   0.169 -11.723
  427    HA   LYS  66           HA       LYS  66  -2.067   2.103 -13.551
  428   1HB   LYS  66           HB2      LYS  66  -0.085  -0.075 -13.647
  429   2HB   LYS  66           HB1      LYS  66  -0.983   0.116 -15.154
  430   1HG   LYS  66           HG2      LYS  66   0.985   1.546 -15.228
  431   2HG   LYS  66           HG1      LYS  66  -0.452   2.561 -15.101
  432   1HD   LYS  66           HD2      LYS  66  -0.038   2.396 -12.525
  433   2HD   LYS  66           HD1      LYS  66   1.593   1.920 -12.996
  434   1HE   LYS  66           HE2      LYS  66   0.250   4.416 -14.051
  435   2HE   LYS  66           HE1      LYS  66   1.270   4.412 -12.612
  436   1HZ   LYS  66           HZ3      LYS  66   2.992   3.309 -14.082
  437   2HZ   LYS  66           HZ2      LYS  66   2.027   3.777 -15.400
  438   3HZ   LYS  66           HZ1      LYS  66   2.689   4.953 -14.368
  439    H    HIS  67           HN       HIS  67  -2.657  -1.324 -12.900
  440    HA   HIS  67           HA       HIS  67  -4.816  -1.435 -14.917
  441   1HB   HIS  67           HB2      HIS  67  -3.546  -3.450 -13.064
  442   2HB   HIS  67           HB1      HIS  67  -5.053  -3.810 -13.906
  443    HD1  HIS  67           HD1      HIS  67  -3.944  -5.569 -15.461
  444    HD2  HIS  67           HD2      HIS  67  -2.263  -1.766 -15.772
  445    HE1  HIS  67           HE1      HIS  67  -2.471  -5.603 -17.520
  446    H    LEU  68           HN       LEU  68  -4.563  -0.246 -11.830
  447    HA   LEU  68           HA       LEU  68  -7.133  -1.223 -10.795
  448   1HB   LEU  68           HB2      LEU  68  -4.962  -0.625  -9.463
  449   2HB   LEU  68           HB1      LEU  68  -5.537   1.033  -9.611
  450    HG   LEU  68           HG       LEU  68  -6.987  -1.299  -8.324
  451   1HD1  LEU  68          HD12      LEU  68  -5.102  -0.065  -7.107
  452   2HD1  LEU  68          HD11      LEU  68  -6.154   1.349  -7.126
  453   3HD1  LEU  68          HD13      LEU  68  -6.658  -0.113  -6.280
  454   1HD2  LEU  68          HD22      LEU  68  -7.918   1.452  -9.105
  455   2HD2  LEU  68          HD21      LEU  68  -8.760  -0.088  -9.256
  456   3HD2  LEU  68          HD23      LEU  68  -8.586   0.669  -7.674
  457    H    GLU  69           HN       GLU  69  -8.732  -0.332 -12.146
  458    HA   GLU  69           HA       GLU  69  -8.708   2.209 -13.370
  459   1HB   GLU  69           HB2      GLU  69 -10.370   0.153 -13.555
  460   2HB   GLU  69           HB1      GLU  69 -11.302   1.090 -12.386
  461   1HG   GLU  69           HG2      GLU  69 -11.425   2.976 -13.863
  462   2HG   GLU  69           HG1      GLU  69 -10.243   2.268 -14.965
  463    H    ASN  70           HN       ASN  70  -9.255   4.236 -12.726
  464    HA   ASN  70           HA       ASN  70  -9.932   6.016 -11.374
  465   1HB   ASN  70           HB2      ASN  70 -11.843   4.262 -10.843
  466   2HB   ASN  70           HB1      ASN  70 -11.035   4.189  -9.276
  467   1HD2  ASN  70          HD22      ASN  70 -13.501   7.218  -9.912
  468   2HD2  ASN  70          HD21      ASN  70 -13.544   5.733 -10.733
  469    H    ALA  71           HN       ALA  71  -7.385   4.272 -10.852
  470    HA   ALA  71           HA       ALA  71  -6.849   5.528  -8.185
  471   1HB   ALA  71           HB3      ALA  71  -7.080   2.968  -8.181
  472   2HB   ALA  71           HB2      ALA  71  -5.551   2.949  -9.056
  473   3HB   ALA  71           HB1      ALA  71  -5.633   3.643  -7.437
  474    H    SER  72           HN       SER  72  -6.183   6.174 -11.185
  475    HA   SER  72           HA       SER  72  -3.360   5.916 -11.521
  476   1HB   SER  72           HB2      SER  72  -3.786   8.161 -12.895
  477   2HB   SER  72           HB1      SER  72  -4.336   6.598 -13.489
  478    HG   SER  72           HG       SER  72  -5.936   8.348 -13.440
  479    H    ALA  73           HN       ALA  73  -5.259   8.657 -10.199
  480    HA   ALA  73           HA       ALA  73  -3.088  10.365  -9.582
  481   1HB   ALA  73           HB3      ALA  73  -5.850   9.999  -8.486
  482   2HB   ALA  73           HB2      ALA  73  -4.723  11.011  -7.583
  483   3HB   ALA  73           HB1      ALA  73  -5.128  11.414  -9.252
  484    H    ILE  74           HN       ILE  74  -4.285   7.501  -7.926
  485    HA   ILE  74           HA       ILE  74  -2.810   7.926  -5.496
  486    HB   ILE  74           HB       ILE  74  -4.201   5.579  -6.799
  487   1HG1  ILE  74          HG12      ILE  74  -4.802   6.735  -4.105
  488   2HG1  ILE  74          HG11      ILE  74  -5.259   7.659  -5.535
  489   1HG2  ILE  74          HG22      ILE  74  -2.371   5.610  -4.451
  490   2HG2  ILE  74          HG21      ILE  74  -3.839   4.637  -4.349
  491   3HG2  ILE  74          HG23      ILE  74  -2.667   4.333  -5.631
  492   1HD1  ILE  74          HD12      ILE  74  -6.096   5.101  -6.170
  493   2HD1  ILE  74          HD11      ILE  74  -6.438   5.207  -4.443
  494   3HD1  ILE  74          HD13      ILE  74  -7.131   6.388  -5.554
  495    H    GLU  75           HN       GLU  75  -2.188   6.199  -8.563
  496    HA   GLU  75           HA       GLU  75   0.282   5.008  -7.844
  497   1HB   GLU  75           HB2      GLU  75   0.538   4.498 -10.081
  498   2HB   GLU  75           HB1      GLU  75  -1.180   4.858 -10.065
  499   1HG   GLU  75           HG2      GLU  75  -0.173   7.341 -10.555
  500   2HG   GLU  75           HG1      GLU  75   1.061   6.344 -11.318
  501    H    SER  76           HN       SER  76  -0.543   8.301  -8.640
  502    HA   SER  76           HA       SER  76   2.144   9.275  -9.014
  503   1HB   SER  76           HB2      SER  76  -0.550  10.464  -8.626
  504   2HB   SER  76           HB1      SER  76   0.820  11.474  -8.174
  505    HG   SER  76           HG       SER  76   1.434  11.565 -10.212
  506    H    ILE  77           HN       ILE  77  -0.046   9.020  -6.231
  507    HA   ILE  77           HA       ILE  77   1.755  10.346  -4.402
  508    HB   ILE  77           HB       ILE  77  -0.379   8.325  -3.691
  509   1HG1  ILE  77          HG12      ILE  77  -1.323  10.097  -5.140
  510   2HG1  ILE  77          HG11      ILE  77  -1.889  10.279  -3.482
  511   1HG2  ILE  77          HG23      ILE  77   1.261  10.372  -2.245
  512   2HG2  ILE  77          HG22      ILE  77  -0.378  10.049  -1.678
  513   3HG2  ILE  77          HG21      ILE  77   0.807   8.744  -1.742
  514   1HD1  ILE  77          HD13      ILE  77  -0.072  11.970  -3.106
  515   2HD1  ILE  77          HD12      ILE  77   0.333  11.855  -4.819
  516   3HD1  ILE  77          HD11      ILE  77  -1.246  12.468  -4.325
  517    H    LEU  78           HN       LEU  78   0.868   6.842  -4.453
  518    HA   LEU  78           HA       LEU  78   2.826   5.875  -2.751
  519   1HB   LEU  78           HB2      LEU  78   1.957   4.538  -5.322
  520   2HB   LEU  78           HB1      LEU  78   2.609   3.740  -3.893
  521    HG   LEU  78           HG       LEU  78   0.288   5.459  -3.310
  522   1HD1  LEU  78          HD12      LEU  78   0.095   3.171  -5.265
  523   2HD1  LEU  78          HD11      LEU  78  -1.267   3.620  -4.239
  524   3HD1  LEU  78          HD13      LEU  78  -0.611   4.779  -5.390
  525   1HD2  LEU  78          HD23      LEU  78   1.483   3.724  -1.849
  526   2HD2  LEU  78          HD22      LEU  78  -0.280   3.665  -1.879
  527   3HD2  LEU  78          HD21      LEU  78   0.658   2.508  -2.825
  528    H    LYS  79           HN       LYS  79   3.200   6.292  -6.292
  529    HA   LYS  79           HA       LYS  79   5.851   5.324  -6.455
  530   1HB   LYS  79           HB2      LYS  79   5.954   6.328  -8.611
  531   2HB   LYS  79           HB1      LYS  79   4.275   5.873  -8.373
  532   1HG   LYS  79           HG2      LYS  79   3.767   8.201  -7.737
  533   2HG   LYS  79           HG1      LYS  79   5.442   8.643  -8.076
  534   1HD   LYS  79           HD2      LYS  79   3.735   7.210 -10.112
  535   2HD   LYS  79           HD1      LYS  79   3.744   8.968  -9.993
  536   1HE   LYS  79           HE2      LYS  79   6.320   8.770 -10.113
  537   2HE   LYS  79           HE1      LYS  79   6.024   7.133 -10.697
  538   1HZ   LYS  79           HZ1      LYS  79   4.911   9.611 -11.897
  539   2HZ   LYS  79           HZ3      LYS  79   6.220   8.726 -12.514
  540   3HZ   LYS  79           HZ2      LYS  79   4.671   8.029 -12.470
  541    H    ASN  80           HN       ASN  80   4.651   8.556  -5.679
  542    HA   ASN  80           HA       ASN  80   7.354   9.685  -5.448
  543   1HB   ASN  80           HB2      ASN  80   4.567  10.636  -5.022
  544   2HB   ASN  80           HB1      ASN  80   5.825  11.447  -4.088
  545   1HD2  ASN  80          HD22      ASN  80   5.837  11.810  -8.183
  546   2HD2  ASN  80          HD21      ASN  80   4.984  10.531  -7.463
  547    H    LEU  81           HN       LEU  81   5.340   7.781  -3.442
  548    HA   LEU  81           HA       LEU  81   6.453   8.672  -0.907
  549   1HB   LEU  81           HB2      LEU  81   4.077   7.504  -1.633
  550   2HB   LEU  81           HB1      LEU  81   4.955   6.144  -0.936
  551    HG   LEU  81           HG       LEU  81   5.525   7.972   0.935
  552   1HD1  LEU  81          HD12      LEU  81   3.210   9.032  -0.597
  553   2HD1  LEU  81          HD11      LEU  81   3.062   9.073   1.159
  554   3HD1  LEU  81          HD13      LEU  81   4.409   9.891   0.369
  555   1HD2  LEU  81          HD22      LEU  81   4.068   5.714   0.857
  556   2HD2  LEU  81          HD21      LEU  81   4.085   6.765   2.273
  557   3HD2  LEU  81          HD23      LEU  81   2.758   6.866   1.116
  558    H    LEU  82           HN       LEU  82   7.389   6.390  -3.310
  559    HA   LEU  82           HA       LEU  82   8.458   4.293  -1.787
  560   1HB   LEU  82           HB2      LEU  82   9.190   5.476  -4.402
  561   2HB   LEU  82           HB1      LEU  82  10.362   4.396  -3.648
  562    HG   LEU  82           HG       LEU  82   7.569   3.432  -3.595
  563   1HD1  LEU  82          HD11      LEU  82   9.112   3.624  -6.200
  564   2HD1  LEU  82          HD13      LEU  82   7.612   2.727  -5.963
  565   3HD1  LEU  82          HD12      LEU  82   7.620   4.485  -5.825
  566   1HD2  LEU  82          HD22      LEU  82  10.335   2.369  -4.062
  567   2HD2  LEU  82          HD21      LEU  82   9.127   1.854  -2.885
  568   3HD2  LEU  82          HD23      LEU  82   8.947   1.413  -4.583
  569    HA   PRO  83           HA       PRO  83  12.542   6.672  -1.096
  570   1HB   PRO  83           HB2      PRO  83  12.594   9.362  -1.665
  571   2HB   PRO  83           HB1      PRO  83  13.062   8.099  -2.816
  572   1HG   PRO  83           HG2      PRO  83  10.571   9.739  -2.737
  573   2HG   PRO  83           HG1      PRO  83  11.375   8.984  -4.123
  574   1HD   PRO  83           HD2      PRO  83   9.082   7.989  -2.812
  575   2HD   PRO  83           HD1      PRO  83  10.107   7.079  -3.938
  576    H    CYS  84           HN       CYS  84   9.447   7.860  -0.226
  577    HA   CYS  84           HA       CYS  84  10.422   9.476   2.039
  578   1HB   CYS  84           HB2      CYS  84   7.790   8.948   0.740
  579   2HB   CYS  84           HB1      CYS  84   7.771   9.358   2.455
  580    H    LEU  85           HN       LEU  85  10.583   6.318   1.698
  581    HA   LEU  85           HA       LEU  85   9.239   5.625   4.266
  582   1HB   LEU  85           HB2      LEU  85  10.479   3.695   2.289
  583   2HB   LEU  85           HB1      LEU  85   9.340   3.329   3.582
  584    HG   LEU  85           HG       LEU  85   8.726   5.046   1.158
  585   1HD1  LEU  85          HD12      LEU  85   8.970   2.302   1.222
  586   2HD1  LEU  85          HD11      LEU  85   7.256   2.523   1.572
  587   3HD1  LEU  85          HD13      LEU  85   7.949   3.194   0.096
  588   1HD2  LEU  85          HD21      LEU  85   7.480   5.599   3.269
  589   2HD2  LEU  85          HD23      LEU  85   6.434   5.007   1.977
  590   3HD2  LEU  85          HD22      LEU  85   6.892   3.937   3.302
  591    HA   PRO  86           HA       PRO  86  13.198   5.365   6.191
  592   1HB   PRO  86           HB2      PRO  86  12.642   3.635   8.225
  593   2HB   PRO  86           HB1      PRO  86  12.148   5.336   8.212
  594   1HG   PRO  86           HG2      PRO  86  10.518   2.904   7.751
  595   2HG   PRO  86           HG1      PRO  86  10.032   4.486   8.379
  596   1HD   PRO  86           HD2      PRO  86   9.588   3.546   5.759
  597   2HD   PRO  86           HD1      PRO  86   9.441   5.232   6.302
  598    H    LEU  87           HN       LEU  87  14.991   3.841   6.624
  599    HA   LEU  87           HA       LEU  87  14.620   1.143   5.402
  600   1HB   LEU  87           HB2      LEU  87  16.767   3.183   4.796
  601   2HB   LEU  87           HB1      LEU  87  16.965   1.467   4.433
  602    HG   LEU  87           HG       LEU  87  14.652   3.165   3.458
  603   1HD1  LEU  87          HD12      LEU  87  17.002   3.691   2.546
  604   2HD1  LEU  87          HD11      LEU  87  16.939   2.091   1.805
  605   3HD1  LEU  87          HD13      LEU  87  15.750   3.316   1.361
  606   1HD2  LEU  87          HD21      LEU  87  15.527   0.304   3.042
  607   2HD2  LEU  87          HD23      LEU  87  13.940   0.907   3.520
  608   3HD2  LEU  87          HD22      LEU  87  14.503   1.124   1.863
  609    H    ALA  88           HN       ALA  88  14.498   0.581   7.696
  610    HA   ALA  88           HA       ALA  88  16.364   1.001   9.718
  611   1HB   ALA  88           HB3      ALA  88  14.630  -1.338   8.996
  612   2HB   ALA  88           HB2      ALA  88  15.761  -1.482  10.341
  613   3HB   ALA  88           HB1      ALA  88  14.507  -0.243  10.373
  614    H    THR  89           HN       THR  89  16.470  -1.766   7.453
  615    HA   THR  89           HA       THR  89  19.434  -1.836   7.844
  616    HB   THR  89           HB       THR  89  18.455  -3.783   8.953
  617    HG1  THR  89           HG1      THR  89  19.761  -5.164   8.002
  618   1HG2  THR  89          HG21      THR  89  16.295  -3.729   7.709
  619   2HG2  THR  89          HG23      THR  89  17.127  -4.369   6.292
  620   3HG2  THR  89          HG22      THR  89  17.005  -5.341   7.758
  621    H    ALA  90           HN       ALA  90  18.104  -0.324   5.938
  622    HA   ALA  90           HA       ALA  90  17.385  -0.414   3.568
  623   1HB   ALA  90           HB3      ALA  90  19.191   1.137   4.193
  624   2HB   ALA  90           HB2      ALA  90  20.368  -0.103   3.756
  625   3HB   ALA  90           HB1      ALA  90  19.306   0.579   2.524
  626    H    ALA  91           HN       ALA  91  16.993  -2.855   3.549
  627    HA   ALA  91           HA       ALA  91  18.055  -3.914   1.136
  628   1HB   ALA  91           HB2      ALA  91  19.316  -4.879   3.682
  629   2HB   ALA  91           HB1      ALA  91  19.094  -6.004   2.342
  630   3HB   ALA  91           HB3      ALA  91  20.069  -4.551   2.121
  631    HA   PRO  92           HA       PRO  92  14.322  -6.147   1.863
  632   1HB   PRO  92           HB2      PRO  92  14.412  -7.880  -0.256
  633   2HB   PRO  92           HB1      PRO  92  13.970  -6.170  -0.403
  634   1HG   PRO  92           HG2      PRO  92  16.526  -7.520  -1.150
  635   2HG   PRO  92           HG1      PRO  92  15.788  -6.060  -1.830
  636   1HD   PRO  92           HD2      PRO  92  17.919  -6.118   0.006
  637   2HD   PRO  92           HD1      PRO  92  16.932  -4.700  -0.397
  638    H    THR  93           HN       THR  93  13.648  -8.685   1.654
  639    HA   THR  93           HA       THR  93  15.809 -10.478   2.560
  640    HB   THR  93           HB       THR  93  13.979 -11.107   4.466
  641    HG1  THR  93           HG1      THR  93  13.943  -8.282   4.290
  642   1HG2  THR  93          HG23      THR  93  16.155  -9.006   4.651
  643   2HG2  THR  93          HG22      THR  93  15.425  -9.826   6.031
  644   3HG2  THR  93          HG21      THR  93  16.364 -10.745   4.855
  645    H    ARG  94           HN       ARG  94  12.301 -10.080   2.055
  646    HA   ARG  94           HA       ARG  94  12.294 -12.740   0.698
  647   1HB   ARG  94           HB2      ARG  94   9.957 -13.029   1.566
  648   2HB   ARG  94           HB1      ARG  94  11.186 -13.034   2.833
  649   1HG   ARG  94           HG2      ARG  94  10.748 -10.652   3.274
  650   2HG   ARG  94           HG1      ARG  94   9.518 -10.643   2.009
  651   1HD   ARG  94           HD2      ARG  94   8.299 -10.955   4.018
  652   2HD   ARG  94           HD1      ARG  94   8.414 -12.567   3.312
  653    HE   ARG  94           HE       ARG  94  10.593 -11.975   5.156
  654   1HH1  ARG  94          HH21      ARG  94   7.306 -13.136   4.869
  655   2HH1  ARG  94          HH22      ARG  94   7.387 -14.029   6.348
  656   1HH2  ARG  94          HH11      ARG  94  10.652 -13.143   7.061
  657   2HH2  ARG  94          HH12      ARG  94   9.259 -14.034   7.577
  658    H    HIS  95           HN       HIS  95  10.238 -12.907  -0.744
  659    HA   HIS  95           HA       HIS  95  10.267 -10.774  -2.647
  660   1HB   HIS  95           HB2      HIS  95   8.247 -12.993  -2.200
  661   2HB   HIS  95           HB1      HIS  95   8.257 -11.931  -3.609
  662    HD1  HIS  95           HD1      HIS  95   8.779 -15.037  -3.791
  663    HD2  HIS  95           HD2      HIS  95  11.751 -12.116  -3.668
  664    HE1  HIS  95           HE1      HIS  95  10.844 -16.071  -4.832
  665    HA   PRO  96           HA       PRO  96   7.410  -8.011  -0.728
  666   1HB   PRO  96           HB2      PRO  96   6.594  -6.574  -2.917
  667   2HB   PRO  96           HB1      PRO  96   8.143  -6.356  -2.095
  668   1HG   PRO  96           HG2      PRO  96   7.575  -7.648  -4.717
  669   2HG   PRO  96           HG1      PRO  96   9.077  -6.904  -4.144
  670   1HD   PRO  96           HD2      PRO  96   8.526  -9.690  -4.266
  671   2HD   PRO  96           HD1      PRO  96   9.903  -8.923  -3.445
  672    H    ILE  97           HN       ILE  97   5.158  -6.878  -1.710
  673    HA   ILE  97           HA       ILE  97   3.257  -8.932  -1.356
  674    HB   ILE  97           HB       ILE  97   3.320  -6.231  -0.992
  675   1HG1  ILE  97          HG12      ILE  97   1.062  -6.428  -0.172
  676   2HG1  ILE  97          HG11      ILE  97   0.798  -7.864  -1.146
  677   1HG2  ILE  97          HG23      ILE  97   2.727  -6.039  -3.523
  678   2HG2  ILE  97          HG22      ILE  97   1.106  -6.474  -2.981
  679   3HG2  ILE  97          HG21      ILE  97   1.890  -5.027  -2.346
  680   1HD1  ILE  97          HD13      ILE  97   3.186  -8.125   0.470
  681   2HD1  ILE  97          HD12      ILE  97   1.761  -7.808   1.457
  682   3HD1  ILE  97          HD11      ILE  97   1.785  -9.188   0.362
  683    H    HIS  98           HN       HIS  98   1.192  -8.507  -2.895
  684    HA   HIS  98           HA       HIS  98   1.868  -8.855  -5.735
  685   1HB   HIS  98           HB2      HIS  98   2.240 -11.057  -4.462
  686   2HB   HIS  98           HB1      HIS  98   0.501 -11.057  -4.168
  687    HD1  HIS  98           HD1      HIS  98   0.005 -13.076  -5.705
  688    HD2  HIS  98           HD2      HIS  98   1.922  -9.943  -7.676
  689    HE1  HIS  98           HE1      HIS  98  -0.121 -13.602  -8.179
  690    H    ILE  99           HN       ILE  99   0.326  -7.457  -6.487
  691    HA   ILE  99           HA       ILE  99  -2.250  -7.222  -5.087
  692    HB   ILE  99           HB       ILE  99  -1.617  -5.751  -7.631
  693   1HG1  ILE  99          HG12      ILE  99   0.464  -5.565  -6.313
  694   2HG1  ILE  99          HG11      ILE  99  -0.398  -4.034  -6.281
  695   1HG2  ILE  99          HG23      ILE  99  -3.388  -5.443  -5.288
  696   2HG2  ILE  99          HG22      ILE  99  -2.604  -3.958  -5.790
  697   3HG2  ILE  99          HG21      ILE  99  -3.604  -4.852  -6.932
  698   1HD1  ILE  99          HD11      ILE  99  -0.512  -6.143  -4.108
  699   2HD1  ILE  99          HD13      ILE  99   0.433  -4.655  -4.034
  700   3HD1  ILE  99          HD12      ILE  99  -1.329  -4.580  -4.076
  701    H    LYS 100           HN       LYS 100  -4.048  -6.764  -7.214
  702    HA   LYS 100           HA       LYS 100  -4.098  -9.459  -8.492
  703   1HB   LYS 100           HB2      LYS 100  -5.848  -8.427  -6.625
  704   2HB   LYS 100           HB1      LYS 100  -6.672  -8.060  -8.139
  705   1HG   LYS 100           HG2      LYS 100  -7.355 -10.269  -7.344
  706   2HG   LYS 100           HG1      LYS 100  -6.415 -10.440  -8.824
  707   1HD   LYS 100           HD2      LYS 100  -4.468 -10.511  -6.842
  708   2HD   LYS 100           HD1      LYS 100  -5.811 -11.392  -6.115
  709   1HE   LYS 100           HE2      LYS 100  -4.733 -13.099  -7.274
  710   2HE   LYS 100           HE1      LYS 100  -5.919 -12.575  -8.470
  711   1HZ   LYS 100           HZ3      LYS 100  -3.170 -11.477  -8.330
  712   2HZ   LYS 100           HZ2      LYS 100  -3.587 -12.809  -9.300
  713   3HZ   LYS 100           HZ1      LYS 100  -4.299 -11.292  -9.582
  714    H    ASP 101           HN       ASP 101  -6.346  -8.973 -10.123
  715    HA   ASP 101           HA       ASP 101  -5.209  -7.884 -12.459
  716   1HB   ASP 101           HB2      ASP 101  -8.049  -8.377 -11.587
  717   2HB   ASP 101           HB1      ASP 101  -7.710  -7.614 -13.141
  718    H    GLY 102           HN       GLY 102  -6.731  -6.277  -9.743
  719   1HA   GLY 102           HA2      GLY 102  -5.897  -3.815  -9.754
  720   2HA   GLY 102           HA1      GLY 102  -6.710  -3.716 -11.306
  721    H    ASP 103           HN       ASP 103  -7.850  -5.396  -8.373
  722    HA   ASP 103           HA       ASP 103 -10.331  -3.759  -8.555
  723   1HB   ASP 103           HB2      ASP 103  -9.658  -6.425  -7.333
  724   2HB   ASP 103           HB1      ASP 103 -11.089  -5.541  -6.803
  725    H    TRP 104           HN       TRP 104 -10.911  -2.349  -6.925
  726    HA   TRP 104           HA       TRP 104  -8.958  -1.404  -5.090
  727   1HB   TRP 104           HB2      TRP 104 -11.863  -0.948  -5.504
  728   2HB   TRP 104           HB1      TRP 104 -11.248  -0.572  -3.894
  729    HD1  TRP 104           HD1      TRP 104 -11.965   1.256  -6.774
  730    HE1  TRP 104           HE1      TRP 104 -10.331   3.199  -7.220
  731    HE3  TRP 104           HE3      TRP 104  -8.100  -0.108  -3.724
  732    HZ2  TRP 104           HZ2      TRP 104  -7.736   4.052  -6.408
  733    HZ3  TRP 104           HZ3      TRP 104  -6.026   1.288  -3.582
  734    HH2  TRP 104           HH2      TRP 104  -5.863   3.365  -4.936
  735    H    ASN 105           HN       ASN 105 -10.995  -4.194  -4.874
  736    HA   ASN 105           HA       ASN 105 -11.132  -4.373  -1.997
  737   1HB   ASN 105           HB2      ASN 105 -11.373  -6.382  -4.242
  738   2HB   ASN 105           HB1      ASN 105 -11.432  -6.883  -2.552
  739   1HD2  ASN 105          HD22      ASN 105 -14.477  -4.831  -2.015
  740   2HD2  ASN 105          HD21      ASN 105 -12.939  -4.958  -1.307
  741    H    GLU 106           HN       GLU 106  -8.888  -5.604  -4.472
  742    HA   GLU 106           HA       GLU 106  -7.149  -7.004  -2.670
  743   1HB   GLU 106           HB2      GLU 106  -7.050  -7.378  -5.114
  744   2HB   GLU 106           HB1      GLU 106  -6.503  -5.719  -5.352
  745   1HG   GLU 106           HG2      GLU 106  -4.551  -7.124  -5.382
  746   2HG   GLU 106           HG1      GLU 106  -4.531  -6.250  -3.860
  747    H    PHE 107           HN       PHE 107  -6.770  -3.761  -4.199
  748    HA   PHE 107           HA       PHE 107  -4.551  -3.034  -2.497
  749   1HB   PHE 107           HB2      PHE 107  -6.518  -1.126  -3.788
  750   2HB   PHE 107           HB1      PHE 107  -4.918  -0.723  -3.201
  751    HD1  PHE 107           HD2      PHE 107  -6.767  -2.681  -5.740
  752    HD2  PHE 107           HD1      PHE 107  -3.004  -0.982  -4.606
  753    HE1  PHE 107           HE2      PHE 107  -5.896  -3.161  -7.983
  754    HE2  PHE 107           HE1      PHE 107  -2.127  -1.439  -6.883
  755    HZ   PHE 107           HZ       PHE 107  -3.573  -2.546  -8.565
  756    H    ARG 108           HN       ARG 108  -7.923  -3.326  -1.840
  757    HA   ARG 108           HA       ARG 108  -8.204  -1.226   0.091
  758   1HB   ARG 108           HB2      ARG 108  -9.776  -3.508  -0.835
  759   2HB   ARG 108           HB1      ARG 108  -9.914  -3.293   0.907
  760   1HG   ARG 108           HG2      ARG 108 -10.099  -0.696  -0.084
  761   2HG   ARG 108           HG1      ARG 108 -10.991  -1.651  -1.265
  762   1HD   ARG 108           HD2      ARG 108 -12.648  -1.176   0.312
  763   2HD   ARG 108           HD1      ARG 108 -12.081  -2.759   0.847
  764    HE   ARG 108           HE       ARG 108 -10.575  -0.651   2.118
  765   1HH1  ARG 108          HH21      ARG 108 -13.650  -2.317   2.183
  766   2HH1  ARG 108          HH22      ARG 108 -13.911  -1.979   3.859
  767   1HH2  ARG 108          HH11      ARG 108 -10.953  -0.240   4.285
  768   2HH2  ARG 108          HH12      ARG 108 -12.402  -0.817   5.038
  769    H    ARG 109           HN       ARG 109  -7.846  -4.749   0.617
  770    HA   ARG 109           HA       ARG 109  -7.132  -4.412   3.392
  771   1HB   ARG 109           HB2      ARG 109  -6.829  -6.726   1.469
  772   2HB   ARG 109           HB1      ARG 109  -6.381  -6.827   3.172
  773   1HG   ARG 109           HG2      ARG 109  -8.550  -6.848   3.881
  774   2HG   ARG 109           HG1      ARG 109  -9.073  -5.710   2.639
  775   1HD   ARG 109           HD2      ARG 109  -8.223  -8.287   1.525
  776   2HD   ARG 109           HD1      ARG 109  -9.583  -8.435   2.637
  777    HE   ARG 109           HE       ARG 109  -9.641  -7.155   0.019
  778   1HH1  ARG 109          HH21      ARG 109 -11.084  -7.250   3.206
  779   2HH1  ARG 109          HH22      ARG 109 -12.587  -6.598   2.654
  780   1HH2  ARG 109          HH11      ARG 109 -11.603  -6.312  -0.649
  781   2HH2  ARG 109          HH12      ARG 109 -12.880  -6.072   0.497
  782    H    LYS 110           HN       LYS 110  -5.171  -5.060   0.465
  783    HA   LYS 110           HA       LYS 110  -2.650  -5.218   1.801
  784   1HB   LYS 110           HB2      LYS 110  -3.308  -4.390  -1.034
  785   2HB   LYS 110           HB1      LYS 110  -1.679  -4.699  -0.442
  786   1HG   LYS 110           HG2      LYS 110  -2.554  -7.004   0.276
  787   2HG   LYS 110           HG1      LYS 110  -3.956  -6.655  -0.739
  788   1HD   LYS 110           HD2      LYS 110  -2.755  -6.802  -2.687
  789   2HD   LYS 110           HD1      LYS 110  -1.290  -6.149  -1.955
  790   1HE   LYS 110           HE2      LYS 110  -0.718  -8.374  -2.313
  791   2HE   LYS 110           HE1      LYS 110  -1.241  -8.382  -0.636
  792   1HZ   LYS 110           HZ2      LYS 110  -3.492  -9.010  -1.474
  793   2HZ   LYS 110           HZ1      LYS 110  -2.803  -9.229  -3.005
  794   3HZ   LYS 110           HZ3      LYS 110  -2.297 -10.193  -1.709
  795    H    LEU 111           HN       LEU 111  -3.914  -2.525  -0.166
  796    HA   LEU 111           HA       LEU 111  -1.844  -0.749   0.593
  797   1HB   LEU 111           HB2      LEU 111  -3.546  -0.626  -1.384
  798   2HB   LEU 111           HB1      LEU 111  -4.493   0.328  -0.239
  799    HG   LEU 111           HG       LEU 111  -2.461   1.746   0.159
  800   1HD1  LEU 111          HD12      LEU 111  -1.409  -0.087  -1.981
  801   2HD1  LEU 111          HD11      LEU 111  -0.751   1.536  -1.792
  802   3HD1  LEU 111          HD13      LEU 111  -0.646   0.380  -0.467
  803   1HD2  LEU 111          HD22      LEU 111  -3.987   1.543  -2.367
  804   2HD2  LEU 111          HD21      LEU 111  -3.775   2.918  -1.283
  805   3HD2  LEU 111          HD23      LEU 111  -2.519   2.517  -2.452
  806    H    THR 112           HN       THR 112  -5.133  -1.094   1.947
  807    HA   THR 112           HA       THR 112  -5.104   1.171   3.657
  808    HB   THR 112           HB       THR 112  -6.318  -1.581   4.084
  809    HG1  THR 112           HG1      THR 112  -7.423   0.926   3.356
  810   1HG2  THR 112          HG23      THR 112  -6.569   0.945   5.726
  811   2HG2  THR 112          HG22      THR 112  -7.771  -0.344   5.779
  812   3HG2  THR 112          HG21      THR 112  -6.110  -0.665   6.278
  813    H    PHE 113           HN       PHE 113  -4.280  -2.170   4.529
  814    HA   PHE 113           HA       PHE 113  -3.044  -1.588   7.021
  815   1HB   PHE 113           HB2      PHE 113  -3.765  -3.830   6.353
  816   2HB   PHE 113           HB1      PHE 113  -2.597  -3.839   5.036
  817    HD1  PHE 113           HD1      PHE 113  -2.253  -2.712   8.583
  818    HD2  PHE 113           HD2      PHE 113  -1.031  -5.467   5.531
  819    HE1  PHE 113           HE1      PHE 113  -0.542  -3.649  10.124
  820    HE2  PHE 113           HE2      PHE 113   0.677  -6.404   7.067
  821    HZ   PHE 113           HZ       PHE 113   0.923  -5.498   9.356
  822    H    TYR 114           HN       TYR 114  -1.869  -1.411   3.743
  823    HA   TYR 114           HA       TYR 114   0.950  -1.360   4.278
  824   1HB   TYR 114           HB2      TYR 114   0.092  -1.889   2.076
  825   2HB   TYR 114           HB1      TYR 114  -0.730  -0.348   1.987
  826    HD1  TYR 114           HD1      TYR 114   2.712  -1.770   2.377
  827    HD2  TYR 114           HD2      TYR 114   0.269   1.448   0.946
  828    HE1  TYR 114           HE1      TYR 114   4.691  -0.734   1.304
  829    HE2  TYR 114           HE2      TYR 114   2.242   2.494  -0.118
  830    HH   TYR 114           HH       TYR 114   5.187   2.003   0.602
  831    H    LEU 115           HN       LEU 115  -0.630   1.452   2.785
  832    HA   LEU 115           HA       LEU 115   1.025   3.456   3.606
  833   1HB   LEU 115           HB2      LEU 115  -1.998   3.681   3.555
  834   2HB   LEU 115           HB1      LEU 115  -0.847   4.992   3.324
  835    HG   LEU 115           HG       LEU 115  -1.255   2.606   1.454
  836   1HD1  LEU 115          HD13      LEU 115  -2.099   5.460   1.494
  837   2HD1  LEU 115          HD12      LEU 115  -1.664   4.739  -0.056
  838   3HD1  LEU 115          HD11      LEU 115  -2.957   4.033   0.914
  839   1HD2  LEU 115          HD23      LEU 115   1.145   3.368   1.663
  840   2HD2  LEU 115          HD22      LEU 115   0.457   3.612   0.060
  841   3HD2  LEU 115          HD21      LEU 115   0.623   4.976   1.166
  842    H    LYS 116           HN       LYS 116  -1.484   1.975   5.633
  843    HA   LYS 116           HA       LYS 116  -1.360   3.908   7.756
  844   1HB   LYS 116           HB2      LYS 116  -2.988   1.811   7.237
  845   2HB   LYS 116           HB1      LYS 116  -1.956   1.089   8.469
  846   1HG   LYS 116           HG2      LYS 116  -3.399   2.087   9.922
  847   2HG   LYS 116           HG1      LYS 116  -2.450   3.534   9.583
  848   1HD   LYS 116           HD2      LYS 116  -4.104   4.486   8.326
  849   2HD   LYS 116           HD1      LYS 116  -4.601   2.944   7.629
  850   1HE   LYS 116           HE2      LYS 116  -5.889   2.372   9.544
  851   2HE   LYS 116           HE1      LYS 116  -5.144   3.638  10.519
  852   1HZ   LYS 116           HZ2      LYS 116  -6.126   5.202   8.756
  853   2HZ   LYS 116           HZ1      LYS 116  -7.136   3.894   8.363
  854   3HZ   LYS 116           HZ3      LYS 116  -7.168   4.548   9.928
  855    H    THR 117           HN       THR 117   0.056   0.593   7.661
  856    HA   THR 117           HA       THR 117   1.585   0.875  10.022
  857    HB   THR 117           HB       THR 117   1.177  -1.285   8.835
  858    HG1  THR 117           HG1      THR 117   2.714  -1.534  10.276
  859   1HG2  THR 117          HG21      THR 117   2.793   0.040   6.752
  860   2HG2  THR 117          HG23      THR 117   3.291  -1.604   7.131
  861   3HG2  THR 117          HG22      THR 117   1.645  -1.282   6.615
  862    H    LEU 118           HN       LEU 118   2.198   2.124   6.826
  863    HA   LEU 118           HA       LEU 118   5.022   2.545   7.106
  864   1HB   LEU 118           HB2      LEU 118   3.992   2.635   4.901
  865   2HB   LEU 118           HB1      LEU 118   2.955   3.963   5.395
  866    HG   LEU 118           HG       LEU 118   5.124   4.455   3.987
  867   1HD1  LEU 118          HD11      LEU 118   3.493   5.978   5.510
  868   2HD1  LEU 118          HD13      LEU 118   5.025   6.263   6.333
  869   3HD1  LEU 118          HD12      LEU 118   4.865   6.629   4.615
  870   1HD2  LEU 118          HD21      LEU 118   6.535   3.193   5.795
  871   2HD2  LEU 118          HD23      LEU 118   7.161   4.712   5.154
  872   3HD2  LEU 118          HD22      LEU 118   6.369   4.679   6.728
  873    H    GLU 119           HN       GLU 119   2.478   5.054   7.115
  874    HA   GLU 119           HA       GLU 119   4.141   7.022   8.268
  875   1HB   GLU 119           HB2      GLU 119   1.829   7.277   7.128
  876   2HB   GLU 119           HB1      GLU 119   1.159   6.962   8.729
  877   1HG   GLU 119           HG2      GLU 119   2.894   8.813   9.475
  878   2HG   GLU 119           HG1      GLU 119   2.783   9.296   7.782
  879    H    ASN 120           HN       ASN 120   2.556   4.333   9.768
  880    HA   ASN 120           HA       ASN 120   2.359   5.430  12.436
  881   1HB   ASN 120           HB2      ASN 120   2.119   2.734  11.182
  882   2HB   ASN 120           HB1      ASN 120   2.468   2.791  12.911
  883   1HD2  ASN 120          HD22      ASN 120  -0.867   3.534  13.717
  884   2HD2  ASN 120          HD21      ASN 120   0.628   2.890  14.197
  885    H    ALA 121           HN       ALA 121   4.707   3.323  10.798
  886    HA   ALA 121           HA       ALA 121   6.545   3.513  13.101
  887   1HB   ALA 121           HB1      ALA 121   6.521   1.966  10.522
  888   2HB   ALA 121           HB3      ALA 121   8.014   2.124  11.447
  889   3HB   ALA 121           HB2      ALA 121   6.602   1.361  12.177
  890    H    GLN 122           HN       GLN 122   5.842   5.499  10.503
  891    HA   GLN 122           HA       GLN 122   8.546   6.196   9.690
  892   1HB   GLN 122           HB2      GLN 122   6.376   6.552   8.353
  893   2HB   GLN 122           HB1      GLN 122   6.100   7.945   9.399
  894   1HG   GLN 122           HG2      GLN 122   8.634   8.472   8.725
  895   2HG   GLN 122           HG1      GLN 122   8.184   7.532   7.302
  896   1HE2  GLN 122          HE22      GLN 122   7.245  11.239   6.984
  897   2HE2  GLN 122          HE21      GLN 122   8.669  10.514   7.557
  898    H    ALA 123           HN       ALA 123   6.309   7.249  12.178
  899    HA   ALA 123           HA       ALA 123   8.367   9.219  13.094
  900   1HB   ALA 123           HB1      ALA 123   5.373   9.420  12.954
  901   2HB   ALA 123           HB3      ALA 123   6.241  10.297  14.215
  902   3HB   ALA 123           HB2      ALA 123   6.591  10.618  12.517
  903    H    GLN 124           HN       GLN 124   5.397   7.900  14.575
  904    HA   GLN 124           HA       GLN 124   5.074   6.795  16.618
  905   1HB   GLN 124           HB2      GLN 124   6.844   5.283  15.322
  906   2HB   GLN 124           HB1      GLN 124   7.906   5.834  16.618
  907   1HG   GLN 124           HG2      GLN 124   5.812   5.186  18.130
  908   2HG   GLN 124           HG1      GLN 124   5.464   4.116  16.771
  909   1HE2  GLN 124          HE22      GLN 124   8.478   3.198  19.310
  910   2HE2  GLN 124          HE21      GLN 124   7.483   4.551  19.559
  911    H    GLN 125           HN       GLN 125   4.922   8.609  17.971
  912    HA   GLN 125           HA       GLN 125   5.550  10.050  19.710
  913   1HB   GLN 125           HB2      GLN 125   6.395   7.873  20.660
  914   2HB   GLN 125           HB1      GLN 125   7.971   8.243  19.959
  915   1HG   GLN 125           HG2      GLN 125   6.635  10.310  21.670
  916   2HG   GLN 125           HG1      GLN 125   7.424   8.940  22.453
  917   1HE2  GLN 125          HE22      GLN 125  10.679   9.876  20.983
  918   2HE2  GLN 125          HE21      GLN 125   9.709   8.487  21.081
   
  No H/Q in entry =         918