*HEADER    METAL BINDING PROTEIN                   29-JUL-01   1IQS              
*TITLE     MINIMIZED AVERAGE STRUCTURE OF MTH1880 FROM                           
*TITLE    2 METHANOBACTERIUM THERMOAUTOTROPHICUM                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MTH1880;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONSERVED PROTEIN;                                          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER                             
*SOURCE   3 THERMAUTOTROPHICUS;                                                  
*SOURCE   4 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS;                           
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET13B                                    
*KEYWDS    ALPHA-BETA, ANTI-PARALLEL                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    C.H.LEE, J.SHIN, E.BANG, J.W.JUNG, A.YEE, C.H.ARROWSMITH,             
*AUTHOR   2 W.LEE                                                                
*REVDAT   1   29-JUL-02 1IQS    0                                                
assign (resid 1 and name HA) (resid 2 and name HN) 2.5 0.7 0.2
assign (resid 1 and name HB*) (resid 2 and name HN) 4.0 2.2 2.0

assign (resid 2 and name HD*) (resid 4 and name HN) 4.0 2.2 3.4

assign (resid 3 and name HA) (resid 4 and name HN) 2.5 0.7 0.2
assign (resid 3 and name HN) (resid 4 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HB*) (resid 4 and name HN) 3.0 1.2 1.3

assign (resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 0.2
assign (resid 4 and name HB*) (resid 5 and name HN) 3.0 1.2 1.3
assign (resid 5 and name HB*) (resid 5 and name HN) 4.0 2.2 2.0
assign (resid 5 and name HG*) (resid 5 and name HN) 4.0 2.2 2.0

assign (resid 5 and name HA) (resid 6 and name HN) 2.5 0.7 0.2

assign (resid 6 and name HA) (resid 7 and name HN) 2.5 0.7 0.2

assign (resid 7 and name HA) (resid 8 and name HN) 2.5 0.7 0.2
assign (resid 7 and name HB*) (resid 8 and name HN) 3.0 1.2 1.3
assign (resid 7 and name HN) (resid 8 and name HN) 4.0 2.2 1.0

assign (resid 8 and name HA*) (resid 9 and name HN) 2.5 0.7 1.2
assign (resid 8 and name HN) (resid 9 and name HN) 4.0 2.2 1.0

assign (resid 9 and name HA) (resid 10 and name HN) 2.5 0.7 0.2
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assign (resid 10 and name HA) (resid 11 and name HN) 2.5 0.7 0.2
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assign (resid 11 and name HA) (resid 12 and name HN) 3.0 1.2 0.3
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assign (resid 12 and name HN) (resid 13 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HB*) (resid 13 and name HN) 4.0 2.2 2.0
assign (resid 13 and name HB*) (resid 13 and name HN) 3.0 1.2 1.3
assign (resid 13 and name HG*) (resid 13 and name HN) 4.0 2.2 2.0

assign (resid 11 and name HA) (resid 13 and name HN) 4.0 2.2 2.0

assign (resid 14 and name HB*) (resid 14 and name HN) 3.0 1.2 1.3
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assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.0

assign (resid 15 and name HB*) (resid 15 and name HN) 3.0 1.2 1.3
assign (resid 14 and name HB*) (resid 15 and name HN) 3.0 1.2 1.3

assign (resid 10 and name HD*) (resid 15 and name HN) 4.0 2.2 4.3
assign (resid 10 and name HD*) (resid 15 and name HA) 4.0 2.2 4.3
assign (resid 16 and name HD*) (resid 15 and name HN) 4.0 2.2 2.0

assign (resid 16 and name HA) (resid 17 and name HN) 2.5 0.7 0.2
assign (resid 16 and name HB*) (resid 17 and name HN) 3.0 1.2 1.3
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assign (resid 18 and name HB*) (resid 18 and name HN) 3.0 1.2 1.3
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assign (resid 17 and name HB*) (resid 18 and name HN) 3.0 1.2 1.3
assign (resid 17 and name HG*) (resid 18 and name HN) 4.0 2.2 2.0

assign (resid 18 and name HN) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HA) (resid 19 and name HN) 3.0 1.2 0.3
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assign (resid 18 and name HG*) (resid 19 and name HN) 4.0 2.2 2.0

assign (resid 19 and name HA) (resid 20 and name HN) 4.0 2.2 1.0
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assign (resid 23 and name HN) (resid 24 and name HN) 3.0 1.2 0.3
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assign (resid 24 and name HN) (resid 25 and name HN) 3.0 1.2 0.3
assign (resid 22 and name HA) (resid 25 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HB*) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 25 and name HB*) (resid 25 and name HN) 4.0 2.2 2.0

assign (resid 25 and name HN) (resid 26 and name HN) 3.0 1.2 0.3
assign (resid 23 and name HA) (resid 26 and name HN) 3.0 1.2 0.3
assign (resid 25 and name HB*) (resid 26 and name HN) 4.0 2.2 2.0

assign (resid 27 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HN) (resid 27 and name HN) 3.0 1.2 0.3
assign (resid 24 and name HA) (resid 27 and name HN) 3.0 1.2 0.3
assign (resid 26 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0

assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.3
assign (resid 25 and name HA) (resid 28 and name HN) 3.0 1.2 0.3
assign (resid 24 and name HA) (resid 28 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HB*) (resid 28 and name HN) 4.0 2.2 2.0

assign (resid 28 and name HN) (resid 29 and name HN) 2.5 0.7 0.2
assign (resid 28 and name HA*) (resid 29 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HA) (resid 29 and name HN) 3.0 1.2 0.3

assign (resid 29 and name HN) (resid 30 and name HN) 3.0 1.2 0.3
assign (resid 28 and name HA*) (resid 30 and name HN) 4.0 2.2 2.0
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assign (resid 29 and name HA) (resid 30 and name HN) 3.0 1.2 0.3
assign (resid 30 and name HB*) (resid 30 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HG*) (resid 30 and name HN) 4.0 2.2 2.0

assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 0.3
assign (resid 30 and name HA) (resid 31 and name HN) 2.5 0.7 0.2
assign (resid 30 and name HB*) (resid 31 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HG*) (resid 31 and name HN) 4.0 2.2 2.0
assign (resid 31 and name HB*) (resid 31 and name HN) 4.0 2.2 2.0
assign (resid 31 and name HG*) (resid 31 and name HN) 4.0 2.2 2.0

assign (resid 31 and name HN) (resid 32 and name HN) 2.5 0.7 0.2
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assign (resid 31 and name HB*) (resid 32 and name HN) 4.0 2.2 2.0
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assign (resid 32 and name HA) (resid 33 and name HN) 4.0 2.2 1.0
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assign (resid 33 and name HG*) (resid 33 and name HN) 4.0 2.2 2.0

assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HB*) (resid 34 and name HN) 3.0 1.2 1.3
assign (resid 34 and name HG) (resid 34 and name HN) 4.0 2.2 1.0

assign (resid 34 and name HN) (resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA) (resid 35 and name HN) 2.5 0.7 0.2
assign (resid 35 and name HB*) (resid 35 and name HN) 3.0 1.2 1.3
assign (resid 34 and name HB*) (resid 35 and name HN) 3.0 1.2 1.3

assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 1.0

assign (resid 35 and name HB*) (resid 37 and name HN) 4.0 2.2 2.0
assign (resid 36 and name HA) (resid 37 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HB*) (resid 37 and name HN) 4.0 2.2 2.0
assign (resid 37 and name HB*) (resid 37 and name HN) 3.0 1.2 1.3

assign (resid 37 and name HN) (resid 38 and name HN) 2.5 0.7 0.2
assign (resid 37 and name HB*) (resid 38 and name HN) 4.0 2.2 2.0
assign (resid 35 and name HN) (resid 38 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HB*) (resid 38 and name HN) 3.0 1.2 1.3
assign (resid 37 and name HA) (resid 38 and name HN) 4.0 2.2 1.0

assign (resid 13 and name HG*) (resid 38 and name HN) 4.0 2.2 4.3
assign (resid 12 and name HD*) (resid 38 and name HN) 4.0 2.2 4.3

assign (resid 38 and name HA) (resid 39 and name HN) 2.5 0.7 0.2
assign (resid 38 and name HB*) (resid 39 and name HN) 4.0 2.2 2.0
assign (resid 39 and name HB*) (resid 39 and name HN) 3.0 1.2 1.3
assign (resid 39 and name HG*) (resid 39 and name HN) 4.0 2.2 2.0
assign (resid 38 and name HN) (resid 39 and name HN) 4.0 2.2 1.0

assign (resid 39 and name HA) (resid 40 and name HN) 2.5 0.7 0.2
assign (resid 39 and name HB*) (resid 40 and name HN) 4.0 2.2 2.0

assign (resid 40 and name HA) (resid 41 and name HN) 2.5 0.7 0.2
assign (resid 40 and name HB) (resid 41 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HB*) (resid 41 and name HN) 3.0 1.2 1.3

assign (resid 41 and name HA) (resid 42 and name HN) 2.5 0.7 0.2
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assign (resid 42 and name HA) (resid 43 and name HN) 2.5 0.7 0.2
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assign (resid 43 and name HA) (resid 44 and name HN) 3.0 1.2 0.3
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assign (resid 44 and name HB*) (resid 45 and name HN) 4.0 2.2 2.0
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assign (resid 45 and name HA) (resid 46 and name HN) 4.0 2.2 1.0
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assign (resid 46 and name HA) (resid 47 and name HN) 4.0 2.2 1.0

assign (resid 47 and name HA*) (resid 48 and name HN) 4.0 2.2 1.0
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assign (resid 48 and name HG*) (resid 48 and name HN) 4.0 2.2 2.0

assign (resid 48 and name HA) (resid 49 and name HN) 4.0 2.2 1.0
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assign (resid 49 and name HA) (resid 50 and name HN) 4.0 2.2 1.0
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assign (resid 50 and name HA) (resid 51 and name HN) 3.0 1.2 0.3
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assign (resid 51 and name HA) (resid 52 and name HN) 3.0 1.2 0.3
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assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.2
assign (resid 52 and name HB*) (resid 53 and name HN) 4.0 2.2 2.0

assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.2
assign (resid 53 and name HB*) (resid 54 and name HN) 4.0 2.2 2.0
assign (resid 54 and name HB*) (resid 54 and name HN) 3.0 1.2 1.3

assign (resid 54 and name HA) (resid 55 and name HN) 2.5 0.7 0.2
assign (resid 54 and name HB*) (resid 55 and name HN) 3.0 1.2 1.3
assign (resid 55 and name HB*) (resid 55 and name HN) 3.0 1.2 1.3

assign (resid 55 and name HA) (resid 56 and name HN) 2.5 0.7 0.2
assign (resid 55 and name HB*) (resid 56 and name HN) 4.0 2.2 2.0

assign (resid 56 and name HA) (resid 57 and name HN) 3.0 1.2 0.3
assign (resid 56 and name HN) (resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HB*) (resid 57 and name HN) 4.0 2.2 2.0
assign (resid 57 and name HB*) (resid 57 and name HN) 3.0 1.2 1.3

assign (resid 59 and name HE*) (resid 65 and name HN) 4.0 2.2 3.4
assign (resid 59 and name HE*) (resid 65 and name HA) 4.0 2.2 3.4
assign (resid 61 and name HN) (resid 65 and name HD*) 4.0 2.2 3.4

assign (resid 59 and name HE*) (resid 64 and name HN) 4.0 2.2 4.3
assign (resid 59 and name HE*) (resid 66 and name HN) 4.0 2.2 4.3

assign (resid 60 and name HN) (resid 61 and name HN) 4.0 2.2 1.0
assign (resid 60 and name HB*) (resid 61 and name HN) 3.0 1.2 1.3
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assign (resid 61 and name HB*) (resid 62 and name HN) 3.0 1.2 1.3
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assign (resid 62 and name HG*) (resid 62 and name HN) 4.0 2.2 2.0
assign (resid 61 and name HA) (resid 62 and name HA) 4.0 2.2 2.0

assign (resid 62 and name HB*) (resid 63 and name HN) 4.0 2.2 2.0
assign (resid 62 and name HA) (resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HB*) (resid 63 and name HN) 3.0 1.2 1.3

assign (resid 63 and name HN) (resid 64 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HB*) (resid 64 and name HN) 3.0 1.2 1.3
assign (resid 64 and name HB*) (resid 64 and name HN) 3.0 1.2 1.3
assign (resid 64 and name HG*) (resid 64 and name HN) 4.0 2.2 2.0
assign (resid 63 and name HA) (resid 64 and name HN) 4.0 2.2 1.0

assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 0.3
assign (resid 62 and name HA) (resid 65 and name HN) 4.0 2.2 1.0
assign (resid 64 and name HB*) (resid 65 and name HN) 3.0 1.2 1.3
assign (resid 65 and name HB*) (resid 65 and name HN) 3.0 1.2 1.3
assign (resid 65 and name HG*) (resid 65 and name HN) 4.0 2.2 2.0

assign (resid 65 and name HN) (resid 66 and name HN) 3.0 1.2 0.3
assign (resid 65 and name HB*) (resid 66 and name HN) 3.0 1.2 1.3
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assign (resid 65 and name HG*) (resid 66 and name HN) 4.0 2.2 2.0

assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 0.3
assign (resid 64 and name HA) (resid 67 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HB*) (resid 67 and name HN) 3.0 1.2 1.3
assign (resid 67 and name HB*) (resid 67 and name HN) 3.0 1.2 1.3
assign (resid 67 and name HG*) (resid 67 and name HN) 4.0 2.2 2.0
assign (resid 63 and name HA) (resid 67 and name HN) 4.0 2.2 1.0

assign (resid 67 and name HN) (resid 68 and name HN) 3.0 1.2 0.3
assign (resid 64 and name HA) (resid 68 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HA) (resid 68 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HB*) (resid 68 and name HN) 4.0 2.2 2.0
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assign (resid 68 and name HN) (resid 69 and name HN) 3.0 1.2 0.3
assign (resid 66 and name HA) (resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HB*) (resid 69 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HB*) (resid 69 and name HN) 3.0 1.2 1.3
assign (resid 65 and name HA) (resid 69 and name HN) 4.0 2.2 1.0

assign (resid 69 and name HN) (resid 70 and name HN) 3.0 1.2 0.3
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assign (resid 69 and name HB*) (resid 70 and name HN) 4.0 2.2 2.0
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assign (resid 70 and name HN) (resid 71 and name HN) 3.0 1.2 0.3
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assign (resid 71 and name HG*) (resid 71 and name HN) 4.0 2.2 2.0

assign (resid 71 and name HN) (resid 72 and name HN) 3.0 1.2 0.3
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assign (resid 72 and name HB*) (resid 72 and name HN) 2.5 0.7 1.2

assign (resid 72 and name HN) (resid 73 and name HN) 2.5 0.7 0.2
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assign (resid 73 and name HN) (resid 74 and name HN) 4.0 2.2 1.0
assign (resid 73 and name HA*) (resid 74 and name HN) 4.0 2.2 2.0
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assign (resid 73 and name HA*) (resid 75 and name HN) 4.0 2.2 2.0
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assign (resid 74 and name HB*) (resid 75 and name HN) 3.0 1.2 1.3
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assign (resid 75 and name HG*) (resid 75 and name HN) 4.0 2.2 2.0
assign (resid 74 and name HN) (resid 75 and name HN) 4.0 2.2 1.0

assign (resid 75 and name HA) (resid 76 and name HN) 3.0 1.2 0.3
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assign (resid 76 and name HB*) (resid 77 and name HN) 3.0 1.2 1.3
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assign (resid 76 and name HG*) (resid 77 and name HN) 4.0 2.2 2.0

assign (resid 78 and name HB*) (resid 78 and name HN) 4.0 2.2 2.0
assign (resid 77 and name HA) (resid 78 and name HN) 4.0 2.2 1.0

assign (resid 79 and name HB*) (resid 79 and name HN) 4.0 2.2 2.0
assign (resid 78 and name HA) (resid 79 and name HN) 4.0 2.2 1.0
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assign (resid 80 and name HB*) (resid 80 and name HN) 4.0 2.2 2.0
assign (resid 79 and name HA) (resid 80 and name HN) 4.0 2.2 1.0
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assign (resid 80 and name HA) (resid 81 and name HN) 4.0 2.2 1.0
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assign (resid 81 and name HB*) (resid 81 and name HN) 3.0 1.2 1.3

assign (resid 81 and name HN) (resid 82 and name HN) 3.0 1.2 0.3
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assign (resid 82 and name HG*) (resid 82 and name HN) 4.0 2.2 2.0
assign (resid 81 and name HB*) (resid 82 and name HN) 4.0 2.2 2.0

assign (resid 82 and name HN) (resid 83 and name HN) 3.0 1.2 0.3
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assign (resid 83 and name HG*) (resid 83 and name HN) 4.0 2.2 2.0
assign (resid 82 and name HB*) (resid 83 and name HN) 3.0 1.2 1.3

assign (resid 83 and name HN) (resid 84 and name HN) 3.0 1.2 0.3
assign (resid 84 and name HG*) (resid 84 and name HN) 4.0 2.2 2.0
assign (resid 84 and name HB*) (resid 84 and name HN) 4.0 2.2 2.0
assign (resid 83 and name HB*) (resid 84 and name HN) 3.0 1.2 1.3

assign (resid 84 and name HN) (resid 85 and name HN) 3.0 1.2 0.3
assign (resid 82 and name HA) (resid 85 and name HN) 3.0 1.2 0.3
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assign (resid 82 and name HA) (resid 86 and name HN) 4.0 2.2 2.0
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assign (resid 85 and name HN) (resid 86 and name HN) 3.0 1.2 0.3
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assign (resid 86 and name HN) (resid 87 and name HN) 3.0 1.2 0.3
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assign (resid 87 and name HN) (resid 88 and name HN) 3.0 1.2 0.3
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assign (resid 41 and name HN) (resid 54 and name HN) 4.0 2.2 1.0
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assign (resid 53 and name HA) (resid 43 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HB*) (resid 52 and name HN) 4.0 2.2 2.0
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assign (resid 40 and name HA) (resid 56 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HN) (resid 55 and name HA) 4.0 2.2 1.0
assign (resid 42 and name HA) (resid 54 and name HN) 4.0 2.2 1.0

assign (resid 44 and name HN) (resid 7 and name HA) 4.0 2.2 1.0
assign (resid 44 and name HN) (resid 6 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN) (resid 43 and name HA) 4.0 2.2 1.0
assign (resid 8 and name HN) (resid 42 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA*) (resid 42 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN) (resid 42 and name HB) 4.0 2.2 1.0

assign (resid 42 and name HN) (resid 9 and name HA) 4.0 2.2 1.0
assign (resid 10 and name HN) (resid 41 and name HA) 4.0 2.2 1.0
assign (resid 40 and name HN) (resid 10 and name HN) 4.0 2.2 1.0

assign (resid 39 and name HA) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HN) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN) (resid 12 and name HA) 4.0 2.2 1.0

assign (resid 65 and name HN) (resid 67 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HN) (resid 68 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HN) (resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HN) (resid 70 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HN) (resid 71 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HN) (resid 72 and name HN) 4.0 2.2 1.0

assign (resid 80 and name HN) (resid 82 and name HN) 4.0 2.2 1.0
assign (resid 81 and name HN) (resid 83 and name HN) 4.0 2.2 1.0
assign (resid 82 and name HN) (resid 84 and name HN) 4.0 2.2 1.0
assign (resid 83 and name HN) (resid 85 and name HN) 4.0 2.2 1.0
assign (resid 84 and name HN) (resid 86 and name HN) 4.0 2.2 1.0
assign (resid 86 and name HN) (resid 88 and name HN) 4.0 2.2 1.0

assign (resid 14 and name HN) (resid 15 and name HN) 4.0 2.2 1.0

assign (resid 40 and name HA) (resid 55 and name HA) 3.0 1.2 0.3
assign (resid 42 and name HA) (resid 53 and name HA) 3.0 1.2 0.3

assign (resid 43 and name HA) (resid 7 and name HA) 3.0 1.2 0.3
assign (resid 41 and name HA) (resid 9 and name HA) 3.0 1.2 0.3

assign (resid 55 and name HB*) (resid 40 and name HD*) 4.0 2.2 4.3

assign (resid 45 and name HN) (resid 50 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HA) (resid 51 and name HA) 4.0 2.2 1.0
assign (resid 45 and name HN) (resid 51 and name HA) 4.0 2.2 1.0
assign (resid 46 and name HA) (resid 50 and name HN) 4.0 2.2 1.0

assign (resid 65 and name HA) (resid 68 and name HB*) 4.0 2.2 2.0
assign (resid 66 and name HA) (resid 69 and name HB*) 4.0 2.2 2.0
assign (resid 67 and name HA) (resid 70 and name HB*) 4.0 2.2 2.0
assign (resid 68 and name HA) (resid 71 and name HB*) 4.0 2.2 2.0
assign (resid 69 and name HA) (resid 72 and name HB*) 4.0 2.2 2.0

assign (resid 21 and name HA) (resid 24 and name HB*) 4.0 2.2 2.0

assign (resid 22 and name HA) (resid 25 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HA) (resid 26 and name HB*) 4.0 2.2 2.0
assign (resid 24 and name HA) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 26 and name HA) (resid 29 and name HB*) 4.0 2.2 2.0

assign (resid 82 and name HA) (resid 85 and name HB*) 4.0 2.2 2.0
assign (resid 83 and name HA) (resid 86 and name HA*) 4.0 2.2 2.0
assign (resid 84 and name HA) (resid 87 and name HB*) 4.0 2.2 3.0
assign (resid 85 and name HA) (resid 88 and name HB*) 4.0 2.2 2.0

assign (resid 43 and name HD*) (resid 69 and name HD*) 4.0 2.2 3.4
assign (resid 43 and name HG*) (resid 69 and name HD*) 4.0 2.2 4.3
assign (resid 43 and name HD*) (resid 69 and name HG*) 4.0 2.2 4.3

assign (resid 45 and name HD*) (resid 74 and name HB*) 4.0 2.2 3.4
assign (resid 45 and name HG*) (resid 74 and name HB*) 4.0 2.2 3.4

assign (resid 7 and name HE*) (resid 70 and name HG*) 4.0 2.2 4.3

assign (resid 15 and name HN) (resid 11 and name HN) 4.0 2.2 1.0

assign (resid 83 and name HD*) (resid 54 and name HD*) 4.0 2.2 4.3
assign (resid 84 and name HD*) (resid 54 and name HD*) 4.0 2.2 4.3

assign (resid 88 and name HD*) (resid 55 and name HB*) 4.0 2.2 3.4

assign (resid 7 and name HA) (resid 43 and name HA) 4.0 2.2 1.0
assign (resid 8 and name HA*) (resid 42 and name HB*) 4.0 2.2 2.0

assign (resid 41 and name HB*) (resid 54 and name HN) 4.0 2.2 2.0
assign (resid 41 and name HB*) (resid 54 and name HB*) 4.0 2.2 2.0

assign (resid 44 and name HA) (resid 51 and name HB*) 4.0 2.2 2.0
assign (resid 44 and name HB*) (resid 51 and name HB*) 4.0 2.2 2.0
assign (resid 44 and name HB*) (resid 51 and name HA) 4.0 2.2 2.0

assign (resid 3 and name HG*) (resid 74 and name HB*) 4.0 2.2 4.3
assign (resid 3 and name HG*) (resid 5 and name HG*) 4.0 2.2 2.0
assign (resid 3 and name HD*) (resid 46 and name HE*) 4.0 2.2 4.3

assign (resid 5 and name HB*) (resid 43 and name HG*) 4.0 2.2 3.4
assign (resid 5 and name HB*) (resid 45 and name HG*) 4.0 2.2 3.4
assign (resid 5 and name HB*) (resid 74 and name HB*) 4.0 2.2 3.4
assign (resid 5 and name HG*) (resid 45 and name HG*) 4.0 2.2 3.4
assign (resid 5 and name HG*) (resid 74 and name HB*) 4.0 2.2 3.4

assign (resid 6 and name HB*) (resid 44 and name HN) 4.0 2.2 2.0

assign (resid 7 and name HA) (resid 43 and name HG*) 4.0 2.2 3.4
assign (resid 7 and name HA) (resid 43 and name HD*) 4.0 2.2 2.0
assign (resid 7 and name HG*) (resid 43 and name HG*) 4.0 2.2 3.4
assign (resid 7 and name HG*) (resid 43 and name HD*) 4.0 2.2 2.0
assign (resid 7 and name HG*) (resid 73 and name HA*) 4.0 2.2 3.4

assign (resid 9 and name HG*) (resid 56 and name HD*) 4.0 2.2 3.4

assign (resid 10 and name HA) (resid 16 and name HA) 4.0 2.2 2.0
assign (resid 10 and name HA) (resid 17 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 17 and name HB*) 4.0 2.2 2.0
assign (resid 10 and name HB*) (resid 15 and name HB*) 4.0 2.2 3.4
assign (resid 10 and name HB*) (resid 23 and name HG*) 4.0 2.2 3.4
assign (resid 10 and name HD*) (resid 23 and name HG*) 4.0 2.2 3.4
assign (resid 10 and name HD*) (resid 42 and name HG*) 4.0 2.2 3.4
assign (resid 10 and name HD*) (resid 40 and name HG*) 4.0 2.2 3.4
assign (resid 10 and name HE*) (resid 18 and name HB*) 4.0 2.2 3.4
assign (resid 10 and name HE*) (resid 21 and name HA) 4.0 2.2 3.4
assign (resid 10 and name HE*) (resid 22 and name HN) 4.0 2.2 3.4
assign (resid 10 and name HD*) (resid 16 and name HB*) 4.0 2.2 3.4

assign (resid 13 and name HG*) (resid 38 and name HB*) 4.0 2.2 2.0
assign (resid 13 and name HD*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 13 and name HD*) (resid 27 and name HA) 4.0 2.2 3.4
assign (resid 13 and name HE*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 13 and name HE*) (resid 34 and name HB*) 4.0 2.2 2.0
assign (resid 13 and name HE*) (resid 34 and name HD*) 4.0 2.2 3.4

assign (resid 14 and name HB*) (resid 36 and name HA) 4.0 2.2 3.4

assign (resid 15 and name HA) (resid 16 and name HD*) 3.0 1.2 1.3

assign (resid 16 and name HA) (resid 21 and name HA) 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 21 and name HB*) 4.0 2.2 3.4
assign (resid 16 and name HA) (resid 22 and name HN) 4.0 2.2 3.4
assign (resid 16 and name HA) (resid 23 and name HG*) 4.0 2.2 3.4
assign (resid 16 and name HB*) (resid 20 and name HN) 4.0 2.2 3.4
assign (resid 16 and name HB*) (resid 20 and name HA) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 20 and name HB*) 4.0 2.2 3.4
assign (resid 16 and name HB*) (resid 21 and name HD*) 4.0 2.2 2.0

assign (resid 23 and name HB*) (resid 40 and name HG*) 4.0 2.2 3.4
assign (resid 23 and name HB*) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 23 and name HB*) (resid 42 and name HD*) 4.0 2.2 3.4
assign (resid 23 and name HB*) (resid 53 and name HG*) 4.0 2.2 3.4
assign (resid 23 and name HG*) (resid 42 and name HD*) 4.0 2.2 3.4
assign (resid 23 and name HG*) (resid 40 and name HG*) 4.0 2.2 3.4
assign (resid 23 and name HG*) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 23 and name HG*) (resid 42 and name HG*) 4.0 2.2 3.4
assign (resid 23 and name HG*) (resid 53 and name HG*) 4.0 2.2 3.4

assign (resid 26 and name HB*) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 26 and name HB*) (resid 40 and name HG*) 4.0 2.2 3.4
assign (resid 26 and name HB*) (resid 53 and name HG*) 4.0 2.2 3.4
assign (resid 26 and name HD*) (resid 40 and name HG*) 4.0 2.2 3.4
assign (resid 26 and name HD*) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 26 and name HD*) (resid 53 and name HG*) 4.0 2.2 3.4
assign (resid 26 and name HD*) (resid 55 and name HA) 4.0 2.2 3.4
assign (resid 26 and name HD*) (resid 55 and name HB*) 4.0 2.2 2.0

assign (resid 27 and name HN) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 27 and name HA) (resid 32 and name HB*) 4.0 2.2 2.0
assign (resid 27 and name HA) (resid 32 and name HD*) 4.0 2.2 2.0
assign (resid 27 and name HA) (resid 40 and name HD*) 4.0 2.2 3.4
assign (resid 27 and name HB*) (resid 34 and name HB*) 4.0 2.2 3.4
assign (resid 27 and name HB*) (resid 34 and name HD*) 4.0 2.2 3.4
assign (resid 27 and name HB*) (resid 40 and name HD*) 4.0 2.2 3.4

assign (resid 28 and name HA*) (resid 34 and name HD*) 4.0 2.2 3.4

assign (resid 39 and name HN) (resid 56 and name HB*) 4.0 2.2 2.0
assign (resid 39 and name HB*) (resid 56 and name HD*) 4.0 2.2 2.0
assign (resid 39 and name HG*) (resid 40 and name HN) 4.0 2.2 2.0

assign (resid 40 and name HA) (resid 55 and name HB*) 4.0 2.2 3.4
assign (resid 40 and name HA) (resid 56 and name HB*) 4.0 2.2 3.4
assign (resid 40 and name HA) (resid 56 and name HG*) 4.0 2.2 3.4
assign (resid 40 and name HB*) (resid 42 and name HD*) 4.0 2.2 3.4
assign (resid 40 and name HG*) (resid 42 and name HD*) 4.0 2.2 3.4
assign (resid 40 and name HG*) (resid 55 and name HA) 4.0 2.2 3.4
assign (resid 40 and name HG*) (resid 55 and name HB*) 4.0 2.2 3.4

assign (resid 41 and name HB*) (resid 69 and name HD*) 4.0 2.2 3.4
assign (resid 42 and name HG*) (resid 53 and name HG*) 4.0 2.2 3.4
assign (resid 43 and name HD*) (resid 69 and name HB*) 4.0 2.2 3.4
assign (resid 45 and name HD*) (resid 52 and name HB*) 4.0 2.2 3.4

assign (resid 46 and name HB*) (resid 48 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HG*) (resid 47 and name HN) 4.0 2.2 3.4
assign (resid 46 and name HD*) (resid 47 and name HN) 4.0 2.2 3.4
assign (resid 46 and name HD*) (resid 48 and name HG*) 4.0 2.2 3.4

assign (resid 47 and name HN) (resid 49 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HN) (resid 50 and name HN) 4.0 2.2 2.0
assign (resid 47 and name HA*) (resid 50 and name HN) 4.0 2.2 2.0
assign (resid 47 and name HA*) (resid 51 and name HA) 4.0 2.2 2.0

assign (resid 49 and name HN) (resid 50 and name HA) 4.0 2.2 2.0
assign (resid 49 and name HA) (resid 50 and name HA) 4.0 2.2 2.0

assign (resid 52 and name HB*) (resid 78 and name HD*) 4.0 2.2 3.4

assign (resid 54 and name HB*) (resid 56 and name HD*) 4.0 2.2 2.0
assign (resid 54 and name HB*) (resid 69 and name HD*) 4.0 2.2 3.4
assign (resid 54 and name HB*) (resid 72 and name HB*) 4.0 2.2 3.4
assign (resid 54 and name HB*) (resid 69 and name HD*) 4.0 2.2 3.4

assign (resid 54 and name HG*) (resid 72 and name HB*) 4.0 2.2 3.4
assign (resid 54 and name HD*) (resid 72 and name HB*) 4.0 2.2 3.4

assign (resid 56 and name HD*) (resid 69 and name HD*) 4.0 2.2 3.4

assign (resid 59 and name HA) (resid 65 and name HG*) 4.0 2.2 3.4
assign (resid 59 and name HE*) (resid 65 and name HG*) 4.0 2.2 3.4
assign (resid 59 and name HE*) (resid 65 and name HD*) 4.0 2.2 3.4
assign (resid 59 and name HD*) (resid 65 and name HG*) 4.0 2.2 3.4
assign (resid 59 and name HD*) (resid 65 and name HD*) 4.0 2.2 3.4

assign (resid 60 and name HN) (resid 65 and name HG*) 4.0 2.2 3.4
assign (resid 62 and name HG*) (resid 65 and name HG*) 4.0 2.2 3.4

assign (resid 4 and name HA) (resid 4 and name HB*) 3.0 1.2 1.3

assign (resid 5 and name HA) (resid 5 and name HB) 2.5 0.7 0.2
assign (resid 5 and name HA) (resid 5 and name HG*) 3.0 1.2 1.3
assign (resid 5 and name HB) (resid 5 and name HG*) 3.0 1.2 1.3

assign (resid 6 and name HA) (resid 6 and name HB*) 3.0 1.2 1.3
assign (resid 6 and name HB*) (resid 6 and name HG) 3.0 1.2 1.3
assign (resid 6 and name HB*) (resid 6 and name HD*) 3.0 1.2 1.3
assign (resid 6 and name HG) (resid 6 and name HD*) 3.0 1.2 1.3

assign (resid 7 and name HA) (resid 7 and name HB*) 2.5 0.7 1.2
assign (resid 7 and name HA) (resid 7 and name HG*) 3.0 1.2 1.3
assign (resid 7 and name HB*) (resid 7 and name HG*) 3.0 1.2 1.3
assign (resid 7 and name HB*) (resid 7 and name HD*) 3.0 1.2 1.3
assign (resid 7 and name HG*) (resid 7 and name HE*) 3.0 1.2 1.3
assign (resid 7 and name HD*) (resid 7 and name HE*) 3.0 1.2 1.3

assign (resid 9 and name HA) (resid 9 and name HB) 2.5 0.7 1.2
assign (resid 9 and name HB) (resid 9 and name HG2*) 2.5 0.7 1.2
assign (resid 9 and name HB) (resid 9 and name HG1*) 3.0 1.2 1.3
assign (resid 9 and name HB) (resid 9 and name HD*) 3.0 1.2 1.3
assign (resid 9 and name HG2*) (resid 9 and name HD*) 4.0 2.2 2.0

assign (resid 10 and name HA) (resid 10 and name HB*) 2.5 0.7 1.2

assign (resid 11 and name HA) (resid 11 and name HB) 2.5 0.7 0.2
assign (resid 11 and name HA) (resid 11 and name HG*) 4.0 2.2 2.0
assign (resid 11 and name HB) (resid 11 and name HG*) 3.0 1.2 1.3

assign (resid 12 and name HA) (resid 12 and name HB*) 2.5 0.7 1.2
assign (resid 12 and name HB*) (resid 12 and name HG) 3.0 1.2 1.3
assign (resid 12 and name HB*) (resid 12 and name HD*) 3.0 1.2 1.3
assign (resid 12 and name HG) (resid 12 and name HD*) 3.0 1.2 1.3

assign (resid 13 and name HA) (resid 13 and name HB*) 2.5 0.7 1.2
assign (resid 13 and name HA) (resid 13 and name HG*) 3.0 1.2 1.3
assign (resid 13 and name HB*) (resid 13 and name HG*) 3.0 1.2 1.3
assign (resid 13 and name HB*) (resid 13 and name HD*) 3.0 1.2 1.3

assign (resid 14 and name HA) (resid 14 and name HB*) 2.5 0.7 1.2

assign (resid 15 and name HA) (resid 15 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 15 and name HG) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 15 and name HD*) 4.0 2.2 2.0
assign (resid 15 and name HG) (resid 15 and name HD*) 4.0 2.2 2.0

assign (resid 16 and name HA) (resid 16 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 16 and name HD*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 16 and name HG*) 4.0 2.2 2.0

assign (resid 17 and name HA) (resid 17 and name HB*) 4.0 2.2 2.0

assign (resid 18 and name HA) (resid 18 and name HB*) 4.0 2.2 2.0

assign (resid 19 and name HA) (resid 19 and name HB*) 4.0 2.2 2.0

assign (resid 20 and name HA) (resid 20 and name HB*) 2.5 0.7 1.2
assign (resid 20 and name HA) (resid 20 and name HG*) 3.0 1.2 1.3
assign (resid 20 and name HB*) (resid 20 and name HG*) 3.0 1.2 1.3
assign (resid 20 and name HB*) (resid 20 and name HD*) 3.0 1.2 1.3

assign (resid 21 and name HA) (resid 21 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 21 and name HD*) 4.0 2.2 2.0

assign (resid 22 and name HA) (resid 22 and name HB*) 4.0 2.2 2.0

assign (resid 23 and name HA) (resid 23 and name HB) 4.0 2.2 1.0
assign (resid 23 and name HA) (resid 23 and name HG*) 4.0 2.2 2.0
assign (resid 23 and name HB) (resid 23 and name HG*) 4.0 2.2 2.0

assign (resid 24 and name HA) (resid 24 and name HB*) 3.0 1.2 1.3

assign (resid 25 and name HA) (resid 25 and name HB*) 3.0 1.2 1.3

assign (resid 26 and name HA) (resid 26 and name HB*) 3.0 1.2 1.3
assign (resid 26 and name HA) (resid 26 and name HG*) 3.0 1.2 1.3
assign (resid 26 and name HB*) (resid 26 and name HG*) 3.0 1.2 1.3

assign (resid 27 and name HA) (resid 27 and name HB*) 2.5 0.7 1.2

assign (resid 29 and name HA) (resid 29 and name HB*) 2.5 0.7 1.2
assign (resid 29 and name HB*) (resid 29 and name HG) 3.0 1.2 1.3
assign (resid 29 and name HB*) (resid 29 and name HD*) 3.0 1.2 1.3
assign (resid 29 and name HG) (resid 29 and name HD*) 3.0 1.2 1.3

assign (resid 30 and name HA) (resid 30 and name HB*) 2.5 0.7 1.2

assign (resid 31 and name HA) (resid 31 and name HB*) 2.5 0.7 1.2
assign (resid 31 and name HA) (resid 31 and name HG*) 3.0 1.2 1.3
assign (resid 31 and name HB*) (resid 31 and name HG*) 3.0 1.2 1.3
assign (resid 31 and name HB*) (resid 31 and name HD*) 3.0 1.2 1.3
assign (resid 31 and name HD*) (resid 31 and name HE*) 3.0 1.2 1.3
assign (resid 31 and name HG*) (resid 31 and name HE*) 4.0 2.2 2.0
assign (resid 31 and name HD*) (resid 31 and name HG*) 3.0 1.2 1.3

assign (resid 32 and name HA) (resid 32 and name HB*) 2.5 0.7 1.2
assign (resid 32 and name HA) (resid 32 and name HG*) 3.0 1.2 1.3
assign (resid 32 and name HB*) (resid 32 and name HG*) 3.0 1.2 1.3

assign (resid 33 and name HA) (resid 33 and name HB*) 2.5 0.7 1.2
assign (resid 33 and name HA) (resid 33 and name HG*) 3.0 1.2 1.3
assign (resid 33 and name HB*) (resid 33 and name HG*) 3.0 1.2 1.3

assign (resid 34 and name HA) (resid 34 and name HB*) 2.5 0.7 1.2
assign (resid 34 and name HB*) (resid 34 and name HG) 3.0 1.2 1.3
assign (resid 34 and name HB*) (resid 34 and name HD*) 3.0 1.2 1.3
assign (resid 34 and name HG) (resid 34 and name HD*) 3.0 1.2 1.3

assign (resid 35 and name HA) (resid 35 and name HB*) 2.5 0.7 1.2

assign (resid 36 and name HA) (resid 36 and name HB*) 2.5 0.7 1.2

assign (resid 37 and name HA) (resid 37 and name HB*) 2.5 0.7 1.2

assign (resid 38 and name HA) (resid 38 and name HB*) 2.5 0.7 1.2

assign (resid 39 and name HA) (resid 39 and name HB*) 2.5 0.7 1.2
assign (resid 39 and name HA) (resid 39 and name HG*) 4.0 2.2 2.0
assign (resid 39 and name HB*) (resid 39 and name HG*) 3.0 1.2 1.3

assign (resid 40 and name HA) (resid 40 and name HB) 2.5 0.7 1.2
assign (resid 40 and name HB) (resid 40 and name HD*) 3.0 1.2 1.3

assign (resid 41 and name HA) (resid 41 and name HB*) 2.5 0.7 1.2

assign (resid 42 and name HA) (resid 42 and name HB) 2.5 0.7 1.2
assign (resid 42 and name HB) (resid 42 and name HG2*) 2.5 0.7 1.2
assign (resid 42 and name HB) (resid 42 and name HG1*) 3.0 1.2 1.3
assign (resid 42 and name HB) (resid 42 and name HD*) 3.0 1.2 1.3
assign (resid 42 and name HG2*) (resid 42 and name HD*) 4.0 2.2 2.0

assign (resid 43 and name HA) (resid 43 and name HB) 2.5 0.7 1.2
assign (resid 43 and name HB) (resid 43 and name HG2*) 2.5 0.7 1.2
assign (resid 43 and name HB) (resid 43 and name HG1*) 3.0 1.2 1.3
assign (resid 43 and name HB) (resid 43 and name HD*) 3.0 1.2 1.3
assign (resid 43 and name HG2*) (resid 43 and name HD*) 4.0 2.2 2.0

assign (resid 44 and name HA) (resid 44 and name HB*) 2.5 0.7 1.2

assign (resid 45 and name HA) (resid 45 and name HB) 3.0 1.2 1.3
assign (resid 45 and name HB) (resid 45 and name HG2*) 3.0 1.2 1.3
assign (resid 45 and name HB) (resid 45 and name HG1*) 3.0 1.2 1.3
assign (resid 45 and name HB) (resid 45 and name HD*) 3.0 1.2 1.3
assign (resid 45 and name HG2*) (resid 45 and name HD*) 4.0 2.2 2.0

assign (resid 46 and name HA) (resid 46 and name HB*) 3.0 1.2 1.3
assign (resid 46 and name HA) (resid 46 and name HG*) 4.0 2.2 2.0
assign (resid 46 and name HB*) (resid 46 and name HG*) 4.0 2.2 2.0
assign (resid 46 and name HB*) (resid 46 and name HD*) 4.0 2.2 2.0
assign (resid 46 and name HG*) (resid 46 and name HE*) 4.0 2.2 2.0
assign (resid 46 and name HD*) (resid 46 and name HE*) 4.0 2.2 2.0

assign (resid 48 and name HA) (resid 48 and name HB) 4.0 2.2 2.0
assign (resid 48 and name HB) (resid 48 and name HG*) 4.0 2.2 2.0

assign (resid 49 and name HA) (resid 49 and name HB*) 4.0 2.2 2.0
assign (resid 49 and name HB*) (resid 49 and name HG*) 3.0 1.2 1.3
assign (resid 49 and name HA) (resid 49 and name HG*) 4.0 2.2 2.0

assign (resid 50 and name HA) (resid 50 and name HB*) 3.0 1.2 1.3

assign (resid 51 and name HA) (resid 51 and name HB*) 3.0 1.2 1.3

assign (resid 52 and name HA) (resid 52 and name HB*) 3.0 1.2 1.3

assign (resid 53 and name HA) (resid 53 and name HB) 3.0 1.2 0.3
assign (resid 53 and name HA) (resid 53 and name HG*) 4.0 2.2 2.0
assign (resid 53 and name HB) (resid 53 and name HG*) 3.0 1.2 1.3

assign (resid 54 and name HA) (resid 54 and name HB*) 2.5 0.7 1.2
assign (resid 54 and name HB*) (resid 54 and name HG) 3.0 1.2 1.3
assign (resid 54 and name HB*) (resid 54 and name HD*) 3.0 1.2 1.3
assign (resid 54 and name HG) (resid 54 and name HD*) 3.0 1.2 1.3

assign (resid 55 and name HA) (resid 55 and name HB*) 2.5 0.7 1.2

assign (resid 56 and name HA) (resid 56 and name HB*) 2.5 0.7 1.2
assign (resid 56 and name HB*) (resid 56 and name HG) 3.0 1.2 1.3
assign (resid 56 and name HB*) (resid 56 and name HD*) 3.0 1.2 1.3
assign (resid 56 and name HG) (resid 56 and name HD*) 3.0 1.2 1.3

assign (resid 57 and name HA) (resid 57 and name HB*) 2.5 0.7 1.2

assign (resid 58 and name HA) (resid 58 and name HB*) 2.5 0.7 1.2

assign (resid 59 and name HA) (resid 59 and name HB*) 2.5 0.7 1.2

assign (resid 60 and name HA) (resid 60 and name HB*) 2.5 0.7 1.2

assign (resid 61 and name HA) (resid 61 and name HB*) 2.5 0.7 1.2

assign (resid 62 and name HA) (resid 62 and name HB) 2.5 0.7 0.2
assign (resid 62 and name HA) (resid 62 and name HG*) 4.0 2.2 2.0
assign (resid 62 and name HB) (resid 62 and name HG*) 3.0 1.2 1.3

assign (resid 63 and name HA) (resid 63 and name HB*) 2.5 0.7 1.2

assign (resid 64 and name HA) (resid 64 and name HB*) 2.5 0.7 1.2

assign (resid 65 and name HA) (resid 65 and name HB) 2.5 0.7 1.2
assign (resid 65 and name HB) (resid 65 and name HG2*) 2.5 0.7 1.2
assign (resid 65 and name HB) (resid 65 and name HG1*) 3.0 1.2 1.3
assign (resid 65 and name HB) (resid 65 and name HD*) 3.0 1.2 1.3
assign (resid 65 and name HG2*) (resid 65 and name HD*) 4.0 2.2 2.0

assign (resid 66 and name HA) (resid 66 and name HB*) 2.5 0.7 1.2
assign (resid 66 and name HA) (resid 66 and name HG*) 3.0 1.2 1.3
assign (resid 66 and name HB*) (resid 66 and name HG*) 3.0 1.2 1.3
assign (resid 66 and name HB*) (resid 66 and name HD*) 3.0 1.2 1.3

assign (resid 67 and name HA) (resid 67 and name HB*) 2.5 0.7 1.2
assign (resid 67 and name HA) (resid 67 and name HG*) 3.0 1.2 1.3
assign (resid 67 and name HB*) (resid 67 and name HG*) 3.0 1.2 1.3
assign (resid 67 and name HB*) (resid 67 and name HD*) 3.0 1.2 1.3
assign (resid 67 and name HG*) (resid 67 and name HE*) 3.0 1.2 1.3
assign (resid 67 and name HD*) (resid 67 and name HE*) 3.0 1.2 1.3

assign (resid 68 and name HA) (resid 68 and name HB*) 2.5 0.7 1.2

assign (resid 69 and name HA) (resid 69 and name HB*) 2.5 0.7 1.2
assign (resid 69 and name HA) (resid 69 and name HG) 3.0 1.2 0.3
assign (resid 69 and name HB*) (resid 69 and name HG) 2.5 0.7 1.2
assign (resid 69 and name HB*) (resid 69 and name HD*) 4.0 2.2 2.0
assign (resid 69 and name HG) (resid 69 and name HD*) 3.0 1.2 1.3

assign (resid 70 and name HA) (resid 70 and name HB*) 2.5 0.7 1.2
assign (resid 70 and name HA) (resid 70 and name HG*) 4.0 2.2 2.0
assign (resid 70 and name HB*) (resid 70 and name HG*) 3.0 1.2 1.3


assign (resid 75 and name HA) (resid 75 and name HB*) 3.0 1.2 1.3
assign (resid 75 and name HA) (resid 75 and name HG*) 3.0 1.2 1.3
assign (resid 75 and name HB*) (resid 75 and name HG*) 3.0 1.2 1.3
assign (resid 75 and name HB*) (resid 75 and name HD*) 3.0 1.2 1.3

assign (resid 76 and name HA) (resid 76 and name HB*) 2.5 0.7 1.2
assign (resid 76 and name HB) (resid 76 and name HG*) 4.0 2.2 2.0
assign (resid 76 and name HB) (resid 76 and name HD*) 3.0 1.2 1.3
assign (resid 76 and name HG*) (resid 76 and name HD*) 4.0 2.2 2.0

assign (resid 77 and name HA) (resid 77 and name HB*) 2.5 0.7 1.2

assign (resid 78 and name HA) (resid 78 and name HB*) 3.0 1.2 1.3

assign (resid 79 and name HA) (resid 79 and name HB) 3.0 1.2 0.3
assign (resid 79 and name HB) (resid 79 and name HG*) 4.0 2.2 2.0

assign (resid 80 and name HA) (resid 80 and name HB) 2.5 0.7 0.2
assign (resid 80 and name HB) (resid 80 and name HG*) 4.0 2.2 2.0

assign (resid 81 and name HA) (resid 81 and name HB*) 2.5 0.7 1.2
assign (resid 81 and name HA) (resid 81 and name HG) 3.0 1.2 0.3
assign (resid 81 and name HB*) (resid 81 and name HG) 2.5 0.7 1.2
assign (resid 81 and name HB*) (resid 81 and name HD*) 4.0 2.2 2.0
assign (resid 81 and name HG) (resid 81 and name HD*) 3.0 1.2 1.3

assign (resid 82 and name HA) (resid 82 and name HB*) 2.5 0.7 1.2
assign (resid 82 and name HA) (resid 82 and name HG*) 3.0 1.2 1.3
assign (resid 82 and name HB*) (resid 82 and name HG*) 3.0 1.2 1.3
assign (resid 82 and name HB*) (resid 82 and name HD*) 3.0 1.2 1.3
assign (resid 82 and name HD*) (resid 82 and name HE*) 3.0 1.2 1.3
assign (resid 82 and name HG*) (resid 82 and name HE*) 3.0 1.2 1.3

assign (resid 83 and name HA) (resid 83 and name HB*) 2.5 0.7 1.2
assign (resid 83 and name HB) (resid 83 and name HG*) 4.0 2.2 2.0
assign (resid 83 and name HB) (resid 83 and name HD*) 3.0 1.2 1.3
assign (resid 83 and name HG*) (resid 83 and name HD*) 4.0 2.2 2.0

assign (resid 84 and name HA) (resid 84 and name HB*) 2.5 0.7 1.2
assign (resid 84 and name HA) (resid 84 and name HG) 3.0 1.2 0.3
assign (resid 84 and name HB*) (resid 84 and name HG) 2.5 0.7 1.2
assign (resid 84 and name HB*) (resid 84 and name HD*) 4.0 2.2 2.0
assign (resid 84 and name HG) (resid 84 and name HD*) 3.0 1.2 1.3

assign (resid 85 and name HA) (resid 85 and name HB*) 2.5 0.7 1.2
assign (resid 85 and name HB*) (resid 85 and name HG*) 4.0 2.2 2.0

assign (resid 87 and name HA) (resid 87 and name HB*) 2.5 0.7 1.2

assign (resid 88 and name HA) (resid 88 and name HB*) 2.5 0.7 1.2
assign (resid 88 and name HB*) (resid 88 and name HG) 3.0 1.2 1.3
assign (resid 88 and name HB*) (resid 88 and name HD*) 4.0 2.2 2.0
assign (resid 88 and name HG) (resid 88 and name HD*) 3.0 1.2 1.3

assign (resid 10 and name HN) (resid 40 and name O) 2.3 0.8 0.2
assign (resid 10 and name N) (resid 40 and name O) 3.3 0.8 0.2

assign (resid 8 and name HN) (resid 42 and name O) 2.3 0.8 0.2
assign (resid 8 and name N) (resid 42 and name O) 3.3 0.8 0.2

assign (resid 12 and name HN) (resid 38 and name O) 2.3 0.8 0.2
assign (resid 12 and name N) (resid 38 and name O) 3.3 0.8 0.2

assign (resid 6 and name HN) (resid 44 and name O) 2.3 0.8 0.2
assign (resid 6 and name N) (resid 44 and name O) 3.3 0.8 0.2

assign (resid 15 and name HN) (resid 11 and name O) 2.3 0.8 0.2
assign (resid 15 and name N) (resid 11 and name O) 3.3 0.8 0.2

assign (resid 52 and name HN) (resid 43 and name O) 2.3 0.8 0.2
assign (resid 52 and name N) (resid 43 and name O) 3.3 0.8 0.2

assign (resid 40 and name HN) (resid 10 and name O) 2.3 0.8 0.2
assign (resid 40 and name N) (resid 10 and name O) 3.3 0.8 0.2

assign (resid 41 and name HN) (resid 54 and name O) 2.3 0.8 0.2
assign (resid 41 and name N) (resid 54 and name O) 3.3 0.8 0.2

assign (resid 42 and name HN) (resid 8 and name O) 2.3 0.8 0.2
assign (resid 42 and name N) (resid 8 and name O) 3.3 0.8 0.2

assign (resid 43 and name HN) (resid 52 and name O) 2.3 0.8 0.2
assign (resid 43 and name N) (resid 52 and name O) 3.3 0.8 0.2

assign (resid 44 and name HN) (resid 6 and name O) 2.3 0.8 0.2
assign (resid 44 and name N) (resid 6 and name O) 3.3 0.8 0.2

assign (resid 54 and name HN) (resid 41 and name O) 2.3 0.8 0.2
assign (resid 54 and name N) (resid 41 and name O) 3.3 0.8 0.2

assign (resid 56 and name HN) (resid 39 and name O) 2.3 0.8 0.2
assign (resid 56 and name N) (resid 39 and name O) 3.3 0.8 0.2

assign (resid 19 and name HN) (resid 16 and name O) 2.3 0.8 0.2
assign (resid 19 and name N) (resid 16 and name O) 3.3 0.8 0.2

assign (resid 69 and name HN) (resid 65 and name O) 2.3 0.8 0.2
assign (resid 69 and name N) (resid 65 and name O) 3.3 0.8 0.2

assign (resid 70 and name HN) (resid 66 and name O) 2.3 0.8 0.2
assign (resid 70 and name N) (resid 66 and name O) 3.3 0.8 0.2

assign (resid 29 and name HN) (resid 25 and name O) 2.3 0.8 0.2
assign (resid 29 and name N) (resid 25 and name O) 3.3 0.8 0.2

assign (resid 67 and name HN) (resid 63 and name O) 2.3 0.8 0.2
assign (resid 67 and name N) (resid 63 and name O) 3.3 0.8 0.2

assign (resid 71 and name HN) (resid 67 and name O) 2.3 0.8 0.2
assign (resid 71 and name N) (resid 67 and name O) 3.3 0.8 0.2

assign (resid 72 and name HN) (resid 68 and name O) 2.3 0.8 0.2
assign (resid 72 and name N) (resid 68 and name O) 3.3 0.8 0.2

assign (resid 73 and name HN) (resid 69 and name O) 2.3 0.8 0.2
assign (resid 73 and name N) (resid 69 and name O) 3.3 0.8 0.2

assign (resid 74 and name HN) (resid 70 and name O) 2.3 0.8 0.2
assign (resid 74 and name N) (resid 70 and name O) 3.3 0.8 0.2

assign (resid 75 and name HN) (resid 71 and name O) 2.3 0.8 0.2
assign (resid 75 and name N) (resid 71 and name O) 3.3 0.8 0.2

assign (resid 88 and name HN) (resid 84 and name O) 2.3 0.8 0.2
assign (resid 88 and name N) (resid 84 and name O) 3.3 0.8 0.2

assign (resid 87 and name HN) (resid 83 and name O) 2.3 0.8 0.2
assign (resid 87 and name N) (resid 83 and name O) 3.3 0.8 0.2

assign (resid 86 and name HN) (resid 82 and name O) 2.3 0.8 0.2
assign (resid 86 and name N) (resid 82 and name O) 3.3 0.8 0.2

assign (resid 85 and name HN) (resid 81 and name O) 2.3 0.8 0.2
assign (resid 85 and name N) (resid 81 and name O) 3.3 0.8 0.2

 
  Entry H atom name         Submitted Coord H atom name
    1   1H    LEU   1          HT1       LEU   1  -9.368  21.310   1.311
    2   2H    LEU   1          HT2       LEU   1  -9.620  23.007   1.265
    3   3H    LEU   1          HT3       LEU   1 -10.266  22.007   0.029
    4    HA   LEU   1           HA       LEU   1 -11.022  21.959   2.873
    5   1HB   LEU   1          HB2       LEU   1 -12.986  22.674   0.818
    6   2HB   LEU   1          HB1       LEU   1 -12.683  23.402   2.385
    7    HG   LEU   1           HG       LEU   1 -10.832  23.902   0.074
    8   1HD1  LEU   1          HD11      LEU   1 -13.521  24.528  -0.013
    9   2HD1  LEU   1          HD12      LEU   1 -12.238  25.284  -0.958
   10   3HD1  LEU   1          HD13      LEU   1 -12.760  26.012   0.562
   11   1HD2  LEU   1          HD21      LEU   1 -11.490  25.898   2.162
   12   2HD2  LEU   1          HD22      LEU   1  -9.959  25.561   1.356
   13   3HD2  LEU   1          HD23      LEU   1 -10.526  24.504   2.648
   14    H    PHE   2           HN       PHE   2 -10.210  19.609   1.854
   15    HA   PHE   2           HA       PHE   2 -12.658  18.094   1.782
   16   1HB   PHE   2          HB2       PHE   2 -10.766  17.974  -0.577
   17   2HB   PHE   2          HB1       PHE   2 -12.140  16.905  -0.315
   18    HD1  PHE   2           HD1      PHE   2 -11.041  19.829  -1.903
   19    HD2  PHE   2           HD2      PHE   2 -14.445  18.125   0.000
   20    HE1  PHE   2           HE1      PHE   2 -12.496  21.420  -3.089
   21    HE2  PHE   2           HE2      PHE   2 -15.906  19.712  -1.183
   22    HZ   PHE   2           HZ       PHE   2 -14.932  21.362  -2.730
   23    H    ILE   3           HN       ILE   3 -11.771  15.642   1.066
   24    HA   ILE   3           HA       ILE   3 -10.009  14.989   3.267
   25    HB   ILE   3           HB       ILE   3 -11.461  13.241   1.281
   26   1HG1  ILE   3          HG12      ILE   3 -12.856  12.655   3.218
   27   2HG1  ILE   3          HG11      ILE   3 -11.915  13.744   4.232
   28   1HG2  ILE   3          HG21      ILE   3 -10.806  11.537   3.234
   29   2HG2  ILE   3          HG22      ILE   3  -9.410  12.612   3.315
   30   3HG2  ILE   3          HG23      ILE   3  -9.803  11.790   1.805
   31   1HD1  ILE   3          HD11      ILE   3 -14.155  14.577   3.387
   32   2HD1  ILE   3          HD12      ILE   3 -13.384  14.709   1.806
   33   3HD1  ILE   3          HD13      ILE   3 -12.768  15.645   3.168
   34    H    ALA   4           HN       ALA   4  -7.996  15.781   2.617
   35    HA   ALA   4           HA       ALA   4  -6.737  15.467   0.185
   36   1HB   ALA   4          HB1       ALA   4  -4.775  15.142   2.218
   37   2HB   ALA   4          HB2       ALA   4  -5.996  16.276   2.796
   38   3HB   ALA   4          HB3       ALA   4  -5.159  16.581   1.274
   39    H    THR   5           HN       THR   5  -7.082  13.477  -0.770
   40    HA   THR   5           HA       THR   5  -6.207  11.069   0.615
   41    HB   THR   5           HB       THR   5  -6.924  10.177  -1.826
   42    HG1  THR   5           HG1      THR   5  -8.771  11.459  -2.430
   43   1HG2  THR   5          HG21      THR   5  -9.271   9.969  -0.954
   44   2HG2  THR   5          HG22      THR   5  -8.732  10.862   0.468
   45   3HG2  THR   5          HG23      THR   5  -8.004   9.304   0.076
   46    H    LEU   6           HN       LEU   6  -4.138  10.521   0.535
   47    HA   LEU   6           HA       LEU   6  -2.541  11.307  -1.800
   48   1HB   LEU   6          HB2       LEU   6  -2.048  11.355   0.987
   49   2HB   LEU   6          HB1       LEU   6  -0.970  10.155   0.300
   50    HG   LEU   6           HG       LEU   6   0.146  11.724  -1.025
   51   1HD1  LEU   6          HD11      LEU   6  -2.301  13.406  -0.652
   52   2HD1  LEU   6          HD12      LEU   6  -1.517  12.892  -2.145
   53   3HD1  LEU   6          HD13      LEU   6  -0.769  14.131  -1.137
   54   1HD2  LEU   6          HD21      LEU   6  -0.413  13.621   1.171
   55   2HD2  LEU   6          HD22      LEU   6   1.125  13.014   0.556
   56   3HD2  LEU   6          HD23      LEU   6   0.150  12.015   1.635
   57    H    LYS   7           HN       LYS   7  -1.425   9.832  -3.013
   58    HA   LYS   7           HA       LYS   7  -1.596   7.005  -2.269
   59   1HB   LYS   7          HB2       LYS   7  -2.556   8.204  -4.866
   60   2HB   LYS   7          HB1       LYS   7  -2.185   6.495  -4.687
   61   1HG   LYS   7          HG2       LYS   7  -3.960   6.138  -3.218
   62   2HG   LYS   7          HG1       LYS   7  -4.132   7.859  -2.866
   63   1HD   LYS   7          HD2       LYS   7  -5.691   7.988  -4.445
   64   2HD   LYS   7          HD1       LYS   7  -4.468   7.569  -5.647
   65   1HE   LYS   7          HE2       LYS   7  -5.050   5.333  -5.652
   66   2HE   LYS   7          HE1       LYS   7  -5.769   5.411  -4.044
   67   1HZ   LYS   7          HZ1       LYS   7  -6.910   6.274  -6.622
   68   2HZ   LYS   7          HZ2       LYS   7  -7.475   6.940  -5.173
   69   3HZ   LYS   7          HZ3       LYS   7  -7.589   5.273  -5.438
   70    H    GLY   8           HN       GLY   8   0.575   6.789  -1.940
   71   1HA   GLY   8          HA2       GLY   8   2.414   7.705  -4.026
   72   2HA   GLY   8          HA1       GLY   8   2.865   7.138  -2.425
   73    H    ILE   9           HN       ILE   9   3.233   6.405  -5.517
   74    HA   ILE   9           HA       ILE   9   2.674   3.558  -5.391
   75    HB   ILE   9           HB       ILE   9   3.930   5.253  -7.550
   76   1HG1  ILE   9          HG12      ILE   9   1.207   3.985  -7.217
   77   2HG1  ILE   9          HG11      ILE   9   1.582   5.701  -7.343
   78   1HG2  ILE   9          HG21      ILE   9   4.901   3.143  -7.848
   79   2HG2  ILE   9          HG22      ILE   9   3.521   3.154  -8.947
   80   3HG2  ILE   9          HG23      ILE   9   3.416   2.300  -7.407
   81   1HD1  ILE   9          HD11      ILE   9   0.643   4.938  -9.408
   82   2HD1  ILE   9          HD12      ILE   9   1.828   3.636  -9.514
   83   3HD1  ILE   9          HD13      ILE   9   2.347   5.315  -9.661
   84    H    PHE  10           HN       PHE  10   4.082   2.054  -4.774
   85    HA   PHE  10           HA       PHE  10   6.924   2.807  -4.571
   86   1HB   PHE  10          HB2       PHE  10   5.255   0.992  -2.827
   87   2HB   PHE  10          HB1       PHE  10   7.014   1.028  -2.762
   88    HD1  PHE  10           HD1      PHE  10   7.280   4.045  -3.212
   89    HD2  PHE  10           HD2      PHE  10   4.843   1.720  -0.612
   90    HE1  PHE  10           HE1      PHE  10   7.182   5.925  -1.630
   91    HE2  PHE  10           HE2      PHE  10   4.740   3.597   0.975
   92    HZ   PHE  10           HZ       PHE  10   5.910   5.703   0.467
   93    H    THR  11           HN       THR  11   7.846   1.974  -6.357
   94    HA   THR  11           HA       THR  11   7.313  -0.852  -6.986
   95    HB   THR  11           HB       THR  11   7.611  -0.431  -9.249
   96    HG1  THR  11           HG1      THR  11   9.015   0.951  -9.998
   97   1HG2  THR  11          HG21      THR  11   6.134   1.206  -9.870
   98   2HG2  THR  11          HG22      THR  11   6.675   2.323  -8.616
   99   3HG2  THR  11          HG23      THR  11   5.671   0.937  -8.190
  100    H    LEU  12           HN       LEU  12   8.868  -2.261  -6.790
  101    HA   LEU  12           HA       LEU  12  10.885  -3.132  -6.196
  102   1HB   LEU  12          HB2       LEU  12  12.226  -1.083  -7.899
  103   2HB   LEU  12          HB1       LEU  12  12.535  -2.804  -7.778
  104    HG   LEU  12           HG       LEU  12  11.592  -2.709  -9.860
  105   1HD1  LEU  12          HD11      LEU  12   8.918  -2.751  -8.601
  106   2HD1  LEU  12          HD12      LEU  12  10.096  -3.925  -8.013
  107   3HD1  LEU  12          HD13      LEU  12   9.666  -3.888  -9.723
  108   1HD2  LEU  12          HD21      LEU  12  10.604  -0.188  -8.924
  109   2HD2  LEU  12          HD22      LEU  12   9.316  -1.068  -9.749
  110   3HD2  LEU  12          HD23      LEU  12  10.839  -0.750 -10.579
  111    H    LYS  13           HN       LYS  13  13.418  -1.575  -6.274
  112    HA   LYS  13           HA       LYS  13  13.308  -0.601  -3.573
  113   1HB   LYS  13          HB2       LYS  13  15.574  -0.710  -5.571
  114   2HB   LYS  13          HB1       LYS  13  15.750  -0.202  -3.897
  115   1HG   LYS  13          HG2       LYS  13  15.090  -2.925  -4.961
  116   2HG   LYS  13          HG1       LYS  13  16.445  -2.435  -3.942
  117   1HD   LYS  13          HD2       LYS  13  15.190  -3.237  -2.259
  118   2HD   LYS  13          HD1       LYS  13  14.318  -1.709  -2.405
  119   1HE   LYS  13          HE2       LYS  13  12.729  -3.513  -2.374
  120   2HE   LYS  13          HE1       LYS  13  12.759  -2.805  -3.988
  121   1HZ   LYS  13          HZ1       LYS  13  14.646  -4.849  -3.943
  122   2HZ   LYS  13          HZ2       LYS  13  13.182  -4.810  -4.788
  123   3HZ   LYS  13          HZ3       LYS  13  13.242  -5.471  -3.233
  124    H    ASP  14           HN       ASP  14  13.136   0.753  -6.728
  125    HA   ASP  14           HA       ASP  14  13.949   3.405  -5.959
  126   1HB   ASP  14          HB2       ASP  14  13.862   2.147  -8.346
  127   2HB   ASP  14          HB1       ASP  14  12.340   3.030  -8.417
  128    H    LEU  15           HN       LEU  15  11.375   1.724  -5.031
  129    HA   LEU  15           HA       LEU  15   9.110   3.158  -5.646
  130   1HB   LEU  15          HB2       LEU  15   8.292   2.428  -3.347
  131   2HB   LEU  15          HB1       LEU  15   8.748   1.182  -4.489
  132    HG   LEU  15           HG       LEU  15  11.037   1.220  -3.263
  133   1HD1  LEU  15          HD11      LEU  15   9.546   1.988  -0.843
  134   2HD1  LEU  15          HD12      LEU  15   9.976   3.309  -1.929
  135   3HD1  LEU  15          HD13      LEU  15  11.234   2.261  -1.273
  136   1HD2  LEU  15          HD21      LEU  15   9.159  -0.528  -3.229
  137   2HD2  LEU  15          HD22      LEU  15   8.746   0.152  -1.655
  138   3HD2  LEU  15          HD23      LEU  15  10.341  -0.552  -1.921
  139    HA   PRO  16           HA       PRO  16  10.191   6.140  -1.955
  140   1HB   PRO  16          HB2       PRO  16  13.086   6.475  -2.286
  141   2HB   PRO  16          HB1       PRO  16  12.153   6.172  -0.817
  142   1HG   PRO  16          HG2       PRO  16  13.750   4.294  -1.887
  143   2HG   PRO  16          HG1       PRO  16  12.224   3.879  -1.085
  144   1HD   PRO  16          HD2       PRO  16  12.820   4.119  -4.013
  145   2HD   PRO  16          HD1       PRO  16  11.892   2.872  -3.157
  146    H    GLU  17           HN       GLU  17   9.379   6.667  -4.431
  147    HA   GLU  17           HA       GLU  17  10.730   8.185  -6.207
  148   1HB   GLU  17          HB2       GLU  17   8.698   9.010  -6.946
  149   2HB   GLU  17          HB1       GLU  17   8.196   7.583  -6.050
  150   1HG   GLU  17          HG2       GLU  17   6.767   8.931  -5.016
  151   2HG   GLU  17          HG1       GLU  17   8.166   9.530  -4.126
  152    H    GLU  18           HN       GLU  18   9.871   9.094  -2.966
  153    HA   GLU  18           HA       GLU  18  10.349  11.887  -3.280
  154   1HB   GLU  18          HB2       GLU  18   9.405  10.155  -1.226
  155   2HB   GLU  18          HB1       GLU  18  10.726  11.116  -0.575
  156   1HG   GLU  18          HG2       GLU  18   9.400  13.078  -1.743
  157   2HG   GLU  18          HG1       GLU  18   8.050  11.962  -1.534
  158    H    PHE  19           HN       PHE  19  12.115   9.440  -1.475
  159    HA   PHE  19           HA       PHE  19  14.652  10.164  -2.505
  160   1HB   PHE  19          HB2       PHE  19  13.693  11.593  -0.131
  161   2HB   PHE  19          HB1       PHE  19  15.260  10.823   0.096
  162    HD1  PHE  19           HD1      PHE  19  17.114  11.362  -1.521
  163    HD2  PHE  19           HD2      PHE  19  13.484  13.578  -1.353
  164    HE1  PHE  19           HE1      PHE  19  18.202  13.227  -2.700
  165    HE2  PHE  19           HE2      PHE  19  14.566  15.447  -2.532
  166    HZ   PHE  19           HZ       PHE  19  16.928  15.273  -3.208
  167    H    ARG  20           HN       ARG  20  14.231   9.464   0.897
  168    HA   ARG  20           HA       ARG  20  15.569   6.916   0.537
  169   1HB   ARG  20          HB2       ARG  20  14.604   8.206   3.094
  170   2HB   ARG  20          HB1       ARG  20  15.732   6.865   2.954
  171   1HG   ARG  20          HG2       ARG  20  16.621   9.171   1.450
  172   2HG   ARG  20          HG1       ARG  20  16.363   9.550   3.154
  173   1HD   ARG  20          HD2       ARG  20  17.868   7.089   2.363
  174   2HD   ARG  20          HD1       ARG  20  18.674   8.657   2.371
  175    HE   ARG  20           HE       ARG  20  17.459   8.487   4.815
  176   1HH1  ARG  20          HH11      ARG  20  19.740   6.542   3.042
  177   2HH1  ARG  20          HH12      ARG  20  20.530   5.942   4.462
  178   1HH2  ARG  20          HH21      ARG  20  18.492   7.704   6.692
  179   2HH2  ARG  20          HH22      ARG  20  19.820   6.603   6.538
  180    HA   PRO  21           HA       PRO  21  11.919   4.444   0.676
  181   1HB   PRO  21          HB2       PRO  21  12.955   2.118   1.588
  182   2HB   PRO  21          HB1       PRO  21  13.267   2.721  -0.044
  183   1HG   PRO  21          HG2       PRO  21  14.991   2.887   2.399
  184   2HG   PRO  21          HG1       PRO  21  15.448   2.494   0.731
  185   1HD   PRO  21          HD2       PRO  21  15.821   4.953   1.822
  186   2HD   PRO  21          HD1       PRO  21  15.505   4.705   0.094
  187    H    PHE  22           HN       PHE  22  10.289   4.179   2.077
  188    HA   PHE  22           HA       PHE  22  10.876   4.420   4.938
  189   1HB   PHE  22          HB2       PHE  22   9.158   5.882   3.560
  190   2HB   PHE  22          HB1       PHE  22   8.093   4.510   3.851
  191    HD1  PHE  22           HD1      PHE  22   9.521   7.492   5.208
  192    HD2  PHE  22           HD2      PHE  22   7.699   3.788   6.245
  193    HE1  PHE  22           HE1      PHE  22   9.005   8.377   7.445
  194    HE2  PHE  22           HE2      PHE  22   7.179   4.667   8.484
  195    HZ   PHE  22           HZ       PHE  22   7.831   6.964   9.086
  196    H    VAL  23           HN       VAL  23   9.653   2.235   2.557
  197    HA   VAL  23           HA       VAL  23   8.642   0.401   4.605
  198    HB   VAL  23           HB       VAL  23   7.660  -0.877   2.821
  199   1HG1  VAL  23          HG11      VAL  23   6.474   1.181   1.589
  200   2HG1  VAL  23          HG12      VAL  23   7.214   2.043   2.937
  201   3HG1  VAL  23          HG13      VAL  23   6.101   0.710   3.247
  202   1HG2  VAL  23          HG21      VAL  23   9.315   0.889   1.047
  203   2HG2  VAL  23          HG22      VAL  23   7.892   0.042   0.439
  204   3HG2  VAL  23          HG23      VAL  23   9.247  -0.872   1.102
  205    H    ASP  24           HN       ASP  24  11.316   0.897   2.487
  206    HA   ASP  24           HA       ASP  24  12.372  -1.485   1.874
  207   1HB   ASP  24          HB2       ASP  24  13.694   0.400   1.380
  208   2HB   ASP  24          HB1       ASP  24  13.723   0.929   3.059
  209    H    TYR  25           HN       TYR  25  11.990  -0.227   5.107
  210    HA   TYR  25           HA       TYR  25  13.664  -1.977   6.504
  211   1HB   TYR  25          HB2       TYR  25  12.620  -1.225   8.441
  212   2HB   TYR  25          HB1       TYR  25  12.314   0.098   7.321
  213    HD1  TYR  25           HD1      TYR  25  10.058   0.304   6.257
  214    HD2  TYR  25           HD2      TYR  25  10.838  -2.473   9.384
  215    HE1  TYR  25           HE1      TYR  25   7.643   0.096   6.666
  216    HE2  TYR  25           HE2      TYR  25   8.424  -2.689   9.802
  217    HH   TYR  25           HH       TYR  25   6.054  -0.894   7.854
  218    H    LYS  26           HN       LYS  26  10.298  -2.327   5.476
  219    HA   LYS  26           HA       LYS  26   9.794  -4.775   6.777
  220   1HB   LYS  26          HB2       LYS  26   7.942  -3.491   5.972
  221   2HB   LYS  26          HB1       LYS  26   8.567  -3.507   4.328
  222   1HG   LYS  26          HG2       LYS  26   8.242  -5.986   4.319
  223   2HG   LYS  26          HG1       LYS  26   7.420  -5.819   5.871
  224   1HD   LYS  26          HD2       LYS  26   6.142  -3.938   4.376
  225   2HD   LYS  26          HD1       LYS  26   6.495  -5.169   3.162
  226   1HE   LYS  26          HE2       LYS  26   5.293  -6.818   4.331
  227   2HE   LYS  26          HE1       LYS  26   5.251  -5.856   5.808
  228   1HZ   LYS  26          HZ1       LYS  26   3.995  -4.693   3.449
  229   2HZ   LYS  26          HZ2       LYS  26   3.518  -4.633   5.071
  230   3HZ   LYS  26          HZ3       LYS  26   3.206  -6.016   4.150
  231    H    ALA  27           HN       ALA  27  11.393  -3.976   3.790
  232    HA   ALA  27           HA       ALA  27  11.365  -6.655   2.748
  233   1HB   ALA  27          HB1       ALA  27  13.431  -4.963   1.638
  234   2HB   ALA  27          HB2       ALA  27  11.875  -4.135   1.697
  235   3HB   ALA  27          HB3       ALA  27  12.021  -5.679   0.858
  236    H    GLY  28           HN       GLY  28  13.300  -4.882   4.963
  237   1HA   GLY  28          HA2       GLY  28  15.311  -7.048   4.913
  238   2HA   GLY  28          HA1       GLY  28  15.727  -5.374   5.245
  239    H    LEU  29           HN       LEU  29  12.747  -6.254   6.578
  240    HA   LEU  29           HA       LEU  29  13.681  -5.915   9.234
  241   1HB   LEU  29          HB2       LEU  29  11.483  -5.956   9.865
  242   2HB   LEU  29          HB1       LEU  29  11.318  -5.530   8.172
  243    HG   LEU  29           HG       LEU  29  11.167  -8.218   7.982
  244   1HD1  LEU  29          HD11      LEU  29  10.451  -7.491  10.766
  245   2HD1  LEU  29          HD12      LEU  29  11.146  -8.979  10.124
  246   3HD1  LEU  29          HD13      LEU  29   9.423  -8.656   9.931
  247   1HD2  LEU  29          HD21      LEU  29   9.203  -6.025   8.220
  248   2HD2  LEU  29          HD22      LEU  29   8.571  -7.666   8.358
  249   3HD2  LEU  29          HD23      LEU  29   9.463  -7.183   6.916
  250    H    GLU  30           HN       GLU  30  13.923  -8.532   7.205
  251    HA   GLU  30           HA       GLU  30  14.942 -10.244   9.185
  252   1HB   GLU  30          HB2       GLU  30  12.471 -10.393   9.694
  253   2HB   GLU  30          HB1       GLU  30  12.267 -11.148   8.119
  254   1HG   GLU  30          HG2       GLU  30  13.944 -12.879   8.878
  255   2HG   GLU  30          HG1       GLU  30  13.772 -12.196  10.495
  256    H    LYS  31           HN       LYS  31  15.939  -9.395   6.815
  257    HA   LYS  31           HA       LYS  31  16.888 -10.047   4.864
  258   1HB   LYS  31          HB2       LYS  31  17.981 -12.065   4.925
  259   2HB   LYS  31          HB1       LYS  31  17.584 -11.875   6.624
  260   1HG   LYS  31          HG2       LYS  31  15.402 -13.212   5.473
  261   2HG   LYS  31          HG1       LYS  31  16.851 -13.962   4.806
  262   1HD   LYS  31          HD2       LYS  31  17.281 -13.529   7.579
  263   2HD   LYS  31          HD1       LYS  31  15.705 -14.297   7.384
  264   1HE   LYS  31          HE2       LYS  31  17.818 -15.779   7.607
  265   2HE   LYS  31          HE1       LYS  31  16.601 -16.188   6.399
  266   1HZ   LYS  31          HZ1       LYS  31  19.096 -16.124   5.755
  267   2HZ   LYS  31          HZ2       LYS  31  18.854 -14.454   5.650
  268   3HZ   LYS  31          HZ3       LYS  31  17.942 -15.502   4.685
  269    H    LYS  32           HN       LYS  32  14.179  -9.572   4.721
  270    HA   LYS  32           HA       LYS  32  12.558 -11.483   3.565
  271   1HB   LYS  32          HB2       LYS  32  12.369  -8.782   4.039
  272   2HB   LYS  32          HB1       LYS  32  12.338  -8.856   2.282
  273   1HG   LYS  32          HG2       LYS  32  10.592 -10.846   2.998
  274   2HG   LYS  32          HG1       LYS  32  10.305  -9.608   4.222
  275   1HD   LYS  32          HD2       LYS  32   9.346  -8.212   2.749
  276   2HD   LYS  32          HD1       LYS  32  10.548  -8.554   1.503
  277   1HE   LYS  32          HE2       LYS  32   9.113  -9.877   0.445
  278   2HE   LYS  32          HE1       LYS  32   8.936 -10.874   1.889
  279   1HZ   LYS  32          HZ1       LYS  32   7.195  -8.807   0.841
  280   2HZ   LYS  32          HZ2       LYS  32   7.408  -8.781   2.519
  281   3HZ   LYS  32          HZ3       LYS  32   6.820 -10.175   1.764
  282    H    LYS  33           HN       LYS  33  14.113  -8.968   1.586
  283    HA   LYS  33           HA       LYS  33  15.679 -10.345  -0.102
  284   1HB   LYS  33          HB2       LYS  33  12.912 -11.172  -0.479
  285   2HB   LYS  33          HB1       LYS  33  13.633 -10.570  -1.966
  286   1HG   LYS  33          HG2       LYS  33  14.824 -12.722  -0.230
  287   2HG   LYS  33          HG1       LYS  33  13.864 -13.007  -1.683
  288   1HD   LYS  33          HD2       LYS  33  16.413 -11.398  -1.628
  289   2HD   LYS  33          HD1       LYS  33  16.334 -13.112  -2.043
  290   1HE   LYS  33          HE2       LYS  33  14.654 -12.458  -3.823
  291   2HE   LYS  33          HE1       LYS  33  15.111 -10.785  -3.507
  292   1HZ   LYS  33          HZ1       LYS  33  16.795 -11.069  -4.895
  293   2HZ   LYS  33          HZ2       LYS  33  16.437 -12.711  -5.087
  294   3HZ   LYS  33          HZ3       LYS  33  17.467 -12.210  -3.842
  295    H    LEU  34           HN       LEU  34  16.328  -9.160  -1.912
  296    HA   LEU  34           HA       LEU  34  15.000  -6.546  -2.215
  297   1HB   LEU  34          HB2       LEU  34  17.900  -7.299  -2.164
  298   2HB   LEU  34          HB1       LEU  34  17.380  -5.859  -3.020
  299    HG   LEU  34           HG       LEU  34  16.541  -4.871  -0.997
  300   1HD1  LEU  34          HD11      LEU  34  17.065  -6.213   1.179
  301   2HD1  LEU  34          HD12      LEU  34  16.957  -7.610   0.108
  302   3HD1  LEU  34          HD13      LEU  34  15.579  -6.522   0.281
  303   1HD2  LEU  34          HD21      LEU  34  19.301  -6.004  -0.935
  304   2HD2  LEU  34          HD22      LEU  34  18.705  -5.081   0.445
  305   3HD2  LEU  34          HD23      LEU  34  18.775  -4.335  -1.152
  306    H    SER  35           HN       SER  35  13.736  -7.870  -3.828
  307    HA   SER  35           HA       SER  35  15.171  -8.344  -6.330
  308   1HB   SER  35          HB2       SER  35  12.653  -9.314  -5.133
  309   2HB   SER  35          HB1       SER  35  12.594  -9.031  -6.872
  310    HG   SER  35           HG       SER  35  14.236 -10.482  -7.160
  311    H    ASP  36           HN       ASP  36  14.221  -7.571  -8.360
  312    HA   ASP  36           HA       ASP  36  13.451  -4.785  -8.107
  313   1HB   ASP  36          HB2       ASP  36  14.489  -6.524 -10.291
  314   2HB   ASP  36          HB1       ASP  36  13.540  -5.114 -10.754
  315    H    ASP  37           HN       ASP  37  11.655  -7.271  -7.660
  316    HA   ASP  37           HA       ASP  37   9.495  -6.524  -9.510
  317   1HB   ASP  37          HB2       ASP  37  10.449  -9.041  -8.608
  318   2HB   ASP  37          HB1       ASP  37   8.834  -8.826  -7.940
  319    H    ASP  38           HN       ASP  38  10.451  -6.592  -6.182
  320    HA   ASP  38           HA       ASP  38   8.231  -6.580  -4.683
  321   1HB   ASP  38          HB2       ASP  38  10.790  -5.679  -4.297
  322   2HB   ASP  38          HB1       ASP  38   9.856  -4.196  -4.120
  323    H    GLU  39           HN       GLU  39   6.387  -5.465  -4.456
  324    HA   GLU  39           HA       GLU  39   6.160  -2.803  -5.651
  325   1HB   GLU  39          HB2       GLU  39   4.810  -5.241  -6.581
  326   2HB   GLU  39          HB1       GLU  39   3.729  -3.883  -6.299
  327   1HG   GLU  39          HG2       GLU  39   5.381  -2.530  -7.717
  328   2HG   GLU  39          HG1       GLU  39   6.013  -4.097  -8.221
  329    H    ILE  40           HN       ILE  40   5.295  -1.455  -4.229
  330    HA   ILE  40           HA       ILE  40   3.303  -2.481  -2.324
  331    HB   ILE  40           HB       ILE  40   5.419  -0.483  -1.543
  332   1HG1  ILE  40          HG12      ILE  40   5.403  -3.484  -1.340
  333   2HG1  ILE  40          HG11      ILE  40   6.691  -2.426  -1.907
  334   1HG2  ILE  40          HG21      ILE  40   3.322  -0.444  -0.269
  335   2HG2  ILE  40          HG22      ILE  40   4.685  -0.968   0.719
  336   3HG2  ILE  40          HG23      ILE  40   3.531  -2.154   0.110
  337   1HD1  ILE  40          HD11      ILE  40   6.208  -1.704   0.757
  338   2HD1  ILE  40          HD12      ILE  40   7.603  -2.560   0.099
  339   3HD1  ILE  40          HD13      ILE  40   6.221  -3.467   0.711
  340    H    ALA  41           HN       ALA  41   1.896  -0.839  -1.428
  341    HA   ALA  41           HA       ALA  41   1.871   1.748  -2.766
  342   1HB   ALA  41          HB1       ALA  41   0.064  -0.435  -3.438
  343   2HB   ALA  41          HB2       ALA  41   0.394   1.069  -4.297
  344   3HB   ALA  41          HB3       ALA  41  -0.778   1.045  -2.980
  345    H    ILE  42           HN       ILE  42   1.616   3.195  -1.208
  346    HA   ILE  42           HA       ILE  42  -0.006   2.474   1.142
  347    HB   ILE  42           HB       ILE  42   2.233   4.486   0.906
  348   1HG1  ILE  42          HG12      ILE  42   1.986   1.779   2.209
  349   2HG1  ILE  42          HG11      ILE  42   3.178   2.317   1.030
  350   1HG2  ILE  42          HG21      ILE  42   1.477   5.490   2.733
  351   2HG2  ILE  42          HG22      ILE  42   1.446   3.954   3.598
  352   3HG2  ILE  42          HG23      ILE  42   0.038   4.473   2.672
  353   1HD1  ILE  42          HD11      ILE  42   3.196   2.509   3.925
  354   2HD1  ILE  42          HD12      ILE  42   3.568   4.039   3.131
  355   3HD1  ILE  42          HD13      ILE  42   4.526   2.604   2.771
  356    H    ILE  43           HN       ILE  43  -1.693   3.731   1.741
  357    HA   ILE  43           HA       ILE  43  -2.112   6.273   0.330
  358    HB   ILE  43           HB       ILE  43  -4.482   4.534   0.829
  359   1HG1  ILE  43          HG12      ILE  43  -2.822   4.313  -1.685
  360   2HG1  ILE  43          HG11      ILE  43  -2.722   3.153  -0.364
  361   1HG2  ILE  43          HG21      ILE  43  -4.698   6.884   0.096
  362   2HG2  ILE  43          HG22      ILE  43  -5.390   5.738  -1.052
  363   3HG2  ILE  43          HG23      ILE  43  -3.822   6.476  -1.379
  364   1HD1  ILE  43          HD11      ILE  43  -4.408   2.041  -1.252
  365   2HD1  ILE  43          HD12      ILE  43  -4.566   3.255  -2.522
  366   3HD1  ILE  43          HD13      ILE  43  -5.450   3.443  -1.008
  367    H    SER  44           HN       SER  44  -2.622   7.881   1.665
  368    HA   SER  44           HA       SER  44  -3.538   7.196   4.377
  369   1HB   SER  44          HB2       SER  44  -2.367   9.032   5.221
  370   2HB   SER  44          HB1       SER  44  -1.296   8.453   3.945
  371    HG   SER  44           HG       SER  44  -1.681  10.202   2.813
  372    H    ILE  45           HN       ILE  45  -4.948   8.831   5.425
  373    HA   ILE  45           HA       ILE  45  -6.454  10.612   3.742
  374    HB   ILE  45           HB       ILE  45  -8.623   9.316   4.640
  375   1HG1  ILE  45          HG12      ILE  45  -7.173   6.928   3.708
  376   2HG1  ILE  45          HG11      ILE  45  -6.687   7.502   5.300
  377   1HG2  ILE  45          HG21      ILE  45  -7.645   8.113   2.162
  378   2HG2  ILE  45          HG22      ILE  45  -7.504   9.871   2.214
  379   3HG2  ILE  45          HG23      ILE  45  -9.074   9.104   2.458
  380   1HD1  ILE  45          HD11      ILE  45  -8.359   6.121   5.926
  381   2HD1  ILE  45          HD12      ILE  45  -9.234   6.307   4.406
  382   3HD1  ILE  45          HD13      ILE  45  -9.323   7.569   5.635
  383    H    LYS  46           HN       LYS  46  -5.329  11.798   5.561
  384    HA   LYS  46           HA       LYS  46  -5.273  12.719   7.675
  385   1HB   LYS  46          HB2       LYS  46  -7.205  13.761   6.255
  386   2HB   LYS  46          HB1       LYS  46  -8.251  12.935   7.403
  387   1HG   LYS  46          HG2       LYS  46  -6.187  14.379   8.787
  388   2HG   LYS  46          HG1       LYS  46  -7.060  15.443   7.682
  389   1HD   LYS  46          HD2       LYS  46  -8.794  13.643   9.199
  390   2HD   LYS  46          HD1       LYS  46  -7.872  14.757  10.210
  391   1HE   LYS  46          HE2       LYS  46  -8.783  16.646   9.139
  392   2HE   LYS  46          HE1       LYS  46  -9.407  15.683   7.800
  393   1HZ   LYS  46          HZ1       LYS  46 -11.171  16.332   9.309
  394   2HZ   LYS  46          HZ2       LYS  46 -10.381  15.585  10.604
  395   3HZ   LYS  46          HZ3       LYS  46 -10.976  14.651   9.326
  396    H    GLY  47           HN       GLY  47  -5.512   9.855   7.771
  397   1HA   GLY  47          HA2       GLY  47  -7.505   9.124   9.690
  398   2HA   GLY  47          HA1       GLY  47  -6.140   8.141   9.181
  399    H    THR  48           HN       THR  48  -6.649  11.180  10.981
  400    HA   THR  48           HA       THR  48  -5.979  11.793  13.080
  401    HB   THR  48           HB       THR  48  -4.582   9.204  13.579
  402    HG1  THR  48           HG1      THR  48  -6.310   8.066  13.334
  403   1HG2  THR  48          HG21      THR  48  -5.021   9.566  15.754
  404   2HG2  THR  48          HG22      THR  48  -6.596  10.291  15.430
  405   3HG2  THR  48          HG23      THR  48  -5.127  11.243  15.218
  406    H    GLN  49           HN       GLN  49  -3.524   9.648  11.628
  407    HA   GLN  49           HA       GLN  49  -1.710  11.581  10.891
  408   1HB   GLN  49          HB2       GLN  49  -1.723  11.104  13.768
  409   2HB   GLN  49          HB1       GLN  49  -0.142  10.833  13.050
  410   1HG   GLN  49          HG2       GLN  49   0.091  13.025  12.398
  411   2HG   GLN  49          HG1       GLN  49  -1.648  13.316  12.383
  412   1HE2  GLN  49          HE21      GLN  49  -0.098  11.686  15.024
  413   2HE2  GLN  49          HE22      GLN  49  -0.262  12.961  16.178
  414    H    SER  50           HN       SER  50  -2.319   9.385   9.635
  415    HA   SER  50           HA       SER  50   0.121   8.042   9.256
  416   1HB   SER  50          HB2       SER  50  -1.376   6.993  11.399
  417   2HB   SER  50          HB1       SER  50  -1.593   5.865  10.061
  418    HG   SER  50           HG       SER  50   0.989   6.732  10.372
  419    H    ASN  51           HN       ASN  51  -0.887   5.564   8.305
  420    HA   ASN  51           HA       ASN  51  -3.046   6.096   6.474
  421   1HB   ASN  51          HB2       ASN  51  -1.815   5.921   4.429
  422   2HB   ASN  51          HB1       ASN  51  -1.034   7.167   5.398
  423   1HD2  ASN  51          HD21      ASN  51   1.063   7.091   5.089
  424   2HD2  ASN  51          HD22      ASN  51   2.034   5.664   5.023
  425    H    HIS  52           HN       HIS  52  -2.524   4.111   4.604
  426    HA   HIS  52           HA       HIS  52  -2.347   1.687   6.269
  427   1HB   HIS  52          HB2       HIS  52  -4.015   1.541   3.837
  428   2HB   HIS  52          HB1       HIS  52  -4.287   0.852   5.434
  429    HD1  HIS  52           HD1      HIS  52  -4.752   3.031   7.270
  430    HD2  HIS  52           HD2      HIS  52  -5.932   3.350   3.298
  431    HE1  HIS  52           HE1      HIS  52  -6.526   4.813   7.237
  432    HE2  HIS  52           HE2      HIS  52  -7.163   5.049   4.811
  433    H    VAL  53           HN       VAL  53  -0.507   0.700   5.752
  434    HA   VAL  53           HA       VAL  53   0.555   0.867   3.049
  435    HB   VAL  53           HB       VAL  53   2.024   1.117   5.069
  436   1HG1  VAL  53          HG11      VAL  53   1.822  -1.870   5.320
  437   2HG1  VAL  53          HG12      VAL  53   0.851  -0.772   6.302
  438   3HG1  VAL  53          HG13      VAL  53   2.611  -0.727   6.407
  439   1HG2  VAL  53          HG21      VAL  53   3.447  -1.050   3.959
  440   2HG2  VAL  53          HG22      VAL  53   3.597   0.663   3.569
  441   3HG2  VAL  53          HG23      VAL  53   2.477  -0.352   2.661
  442    H    LEU  54           HN       LEU  54  -0.045  -0.559   1.566
  443    HA   LEU  54           HA       LEU  54  -0.794  -3.271   2.432
  444   1HB   LEU  54          HB2       LEU  54  -1.729  -1.515   0.200
  445   2HB   LEU  54          HB1       LEU  54  -1.827  -3.256   0.019
  446    HG   LEU  54           HG       LEU  54  -3.244  -1.523   2.028
  447   1HD1  LEU  54          HD11      LEU  54  -4.220  -3.507  -0.021
  448   2HD1  LEU  54          HD12      LEU  54  -4.289  -1.751  -0.163
  449   3HD1  LEU  54          HD13      LEU  54  -5.232  -2.572   1.080
  450   1HD2  LEU  54          HD21      LEU  54  -2.885  -3.204   3.483
  451   2HD2  LEU  54          HD22      LEU  54  -2.463  -4.355   2.215
  452   3HD2  LEU  54          HD23      LEU  54  -4.157  -4.005   2.561
  453    H    PHE  55           HN       PHE  55  -0.196  -5.051   1.041
  454    HA   PHE  55           HA       PHE  55   2.360  -4.552  -0.328
  455   1HB   PHE  55          HB2       PHE  55   2.324  -6.082   1.693
  456   2HB   PHE  55          HB1       PHE  55   1.370  -7.203   0.726
  457    HD1  PHE  55           HD1      PHE  55   4.298  -5.106  -0.209
  458    HD2  PHE  55           HD2      PHE  55   2.730  -9.026   0.327
  459    HE1  PHE  55           HE1      PHE  55   6.368  -6.057  -1.140
  460    HE2  PHE  55           HE2      PHE  55   4.797  -9.984  -0.603
  461    HZ   PHE  55           HZ       PHE  55   6.619  -8.499  -1.337
  462    H    LEU  56           HN       LEU  56   2.036  -4.367  -2.452
  463    HA   LEU  56           HA       LEU  56  -0.110  -5.696  -3.811
  464   1HB   LEU  56          HB2       LEU  56   2.257  -4.244  -4.993
  465   2HB   LEU  56          HB1       LEU  56   0.762  -4.648  -5.816
  466    HG   LEU  56           HG       LEU  56   1.034  -2.703  -3.522
  467   1HD1  LEU  56          HD11      LEU  56   0.555  -0.995  -5.170
  468   2HD1  LEU  56          HD12      LEU  56   0.462  -2.214  -6.441
  469   3HD1  LEU  56          HD13      LEU  56   1.998  -1.897  -5.634
  470   1HD2  LEU  56          HD21      LEU  56  -1.295  -2.185  -3.911
  471   2HD2  LEU  56          HD22      LEU  56  -1.120  -3.903  -3.551
  472   3HD2  LEU  56          HD23      LEU  56  -1.371  -3.372  -5.214
  473    H    SER  57           HN       SER  57   0.251  -7.906  -3.499
  474    HA   SER  57           HA       SER  57   2.642  -9.268  -3.973
  475   1HB   SER  57          HB2       SER  57  -0.115  -9.954  -3.469
  476   2HB   SER  57          HB1       SER  57   0.561 -11.019  -4.701
  477    HG   SER  57           HG       SER  57   1.650 -11.972  -3.192
  478    H    SER  58           HN       SER  58  -0.203  -9.323  -6.125
  479    HA   SER  58           HA       SER  58   1.603  -9.135  -8.427
  480   1HB   SER  58          HB2       SER  58   0.269 -11.509  -7.629
  481   2HB   SER  58          HB1       SER  58  -0.540 -10.921  -9.082
  482    HG   SER  58           HG       SER  58   2.023 -11.907  -8.750
  483    H    TYR  59           HN       TYR  59   0.992  -7.346  -9.444
  484    HA   TYR  59           HA       TYR  59  -1.882  -6.735  -9.620
  485   1HB   TYR  59          HB2       TYR  59  -0.023  -5.119  -8.590
  486   2HB   TYR  59          HB1       TYR  59   0.161  -4.673 -10.284
  487    HD1  TYR  59           HD1      TYR  59  -2.152  -4.709  -7.420
  488    HD2  TYR  59           HD2      TYR  59  -1.532  -3.409 -11.424
  489    HE1  TYR  59           HE1      TYR  59  -4.090  -3.207  -7.226
  490    HE2  TYR  59           HE2      TYR  59  -3.467  -1.903 -11.241
  491    HH   TYR  59           HH       TYR  59  -5.273  -1.590  -8.203
  492    H    ASN  60           HN       ASN  60  -2.794  -7.116 -11.518
  493    HA   ASN  60           HA       ASN  60  -1.120  -7.351 -13.900
  494   1HB   ASN  60          HB2       ASN  60  -3.981  -8.131 -13.326
  495   2HB   ASN  60          HB1       ASN  60  -3.258  -8.245 -14.928
  496   1HD2  ASN  60          HD21      ASN  60  -3.055 -10.352 -15.269
  497   2HD2  ASN  60          HD22      ASN  60  -2.246 -11.462 -14.222
  498    H    SER  61           HN       SER  61  -4.492  -6.387 -13.938
  499    HA   SER  61           HA       SER  61  -4.362  -3.668 -14.179
  500   1HB   SER  61          HB2       SER  61  -4.524  -3.900 -16.934
  501   2HB   SER  61          HB1       SER  61  -3.133  -3.301 -16.030
  502    HG   SER  61           HG       SER  61  -3.463  -5.658 -17.387
  503    H    VAL  62           HN       VAL  62  -6.297  -5.013 -13.172
  504    HA   VAL  62           HA       VAL  62  -8.504  -4.722 -15.078
  505    HB   VAL  62           HB       VAL  62  -9.540  -6.772 -14.500
  506   1HG1  VAL  62          HG11      VAL  62  -7.570  -6.835 -16.092
  507   2HG1  VAL  62          HG12      VAL  62  -8.049  -8.375 -15.379
  508   3HG1  VAL  62          HG13      VAL  62  -6.639  -7.518 -14.759
  509   1HG2  VAL  62          HG21      VAL  62  -7.373  -7.137 -12.433
  510   2HG2  VAL  62          HG22      VAL  62  -8.614  -8.324 -12.833
  511   3HG2  VAL  62          HG23      VAL  62  -9.070  -6.778 -12.118
  512    H    ASP  63           HN       ASP  63 -10.330  -3.851 -14.227
  513    HA   ASP  63           HA       ASP  63 -10.385  -2.231 -12.093
  514   1HB   ASP  63          HB2       ASP  63 -12.513  -3.805 -13.449
  515   2HB   ASP  63          HB1       ASP  63 -12.933  -3.038 -11.921
  516    H    GLU  64           HN       GLU  64 -10.937  -5.714 -11.986
  517    HA   GLU  64           HA       GLU  64 -11.881  -6.143  -9.481
  518   1HB   GLU  64          HB2       GLU  64 -11.159  -7.856 -11.237
  519   2HB   GLU  64          HB1       GLU  64  -9.548  -7.728 -10.545
  520   1HG   GLU  64          HG2       GLU  64 -10.174  -8.723  -8.562
  521   2HG   GLU  64          HG1       GLU  64 -11.878  -8.328  -8.781
  522    H    ILE  65           HN       ILE  65  -8.479  -5.543 -10.316
  523    HA   ILE  65           HA       ILE  65  -7.664  -5.543  -7.551
  524    HB   ILE  65           HB       ILE  65  -5.486  -4.619  -8.599
  525   1HG1  ILE  65          HG12      ILE  65  -6.724  -5.733 -11.114
  526   2HG1  ILE  65          HG11      ILE  65  -6.740  -4.011 -10.747
  527   1HG2  ILE  65          HG21      ILE  65  -4.830  -6.884  -9.317
  528   2HG2  ILE  65          HG22      ILE  65  -6.526  -7.365  -9.283
  529   3HG2  ILE  65          HG23      ILE  65  -5.716  -6.887  -7.792
  530   1HD1  ILE  65          HD11      ILE  65  -4.759  -3.863 -11.713
  531   2HD1  ILE  65          HD12      ILE  65  -4.653  -5.616 -11.872
  532   3HD1  ILE  65          HD13      ILE  65  -4.093  -4.830 -10.396
  533    H    ARG  66           HN       ARG  66  -8.399  -3.156 -10.023
  534    HA   ARG  66           HA       ARG  66  -7.394  -0.887  -8.700
  535   1HB   ARG  66          HB2       ARG  66  -8.228  -1.157 -11.136
  536   2HB   ARG  66          HB1       ARG  66  -9.819  -0.809 -10.473
  537   1HG   ARG  66          HG2       ARG  66  -9.212   1.359  -9.845
  538   2HG   ARG  66          HG1       ARG  66  -7.488   1.012  -9.994
  539   1HD   ARG  66          HD2       ARG  66  -7.484   1.313 -12.238
  540   2HD   ARG  66          HD1       ARG  66  -9.108   0.657 -12.436
  541    HE   ARG  66           HE       ARG  66  -8.384   3.415 -12.004
  542   1HH1  ARG  66          HH11      ARG  66 -10.912   1.027 -11.828
  543   2HH1  ARG  66          HH12      ARG  66 -12.194   2.189 -11.915
  544   1HH2  ARG  66          HH21      ARG  66 -10.063   4.955 -12.118
  545   2HH2  ARG  66          HH22      ARG  66 -11.711   4.422 -12.080
  546    H    LYS  67           HN       LYS  67 -10.601  -2.397  -8.667
  547    HA   LYS  67           HA       LYS  67 -11.859  -0.477  -7.036
  548   1HB   LYS  67          HB2       LYS  67 -12.520  -3.006  -8.208
  549   2HB   LYS  67          HB1       LYS  67 -13.025  -3.009  -6.524
  550   1HG   LYS  67          HG2       LYS  67 -14.480  -1.214  -6.830
  551   2HG   LYS  67          HG1       LYS  67 -13.715  -0.736  -8.347
  552   1HD   LYS  67          HD2       LYS  67 -14.723  -2.454  -9.542
  553   2HD   LYS  67          HD1       LYS  67 -15.028  -3.414  -8.094
  554   1HE   LYS  67          HE2       LYS  67 -16.457  -1.147  -7.580
  555   2HE   LYS  67          HE1       LYS  67 -16.632  -1.296  -9.328
  556   1HZ   LYS  67          HZ1       LYS  67 -18.133  -2.592  -7.493
  557   2HZ   LYS  67          HZ2       LYS  67 -17.002  -3.775  -7.918
  558   3HZ   LYS  67          HZ3       LYS  67 -17.961  -3.057  -9.111
  559    H    GLU  68           HN       GLU  68 -10.282  -3.559  -6.238
  560    HA   GLU  68           HA       GLU  68 -10.776  -3.716  -3.548
  561   1HB   GLU  68          HB2       GLU  68  -9.341  -5.216  -5.173
  562   2HB   GLU  68          HB1       GLU  68  -8.003  -4.289  -4.509
  563   1HG   GLU  68          HG2       GLU  68  -8.061  -5.376  -2.564
  564   2HG   GLU  68          HG1       GLU  68  -9.821  -5.322  -2.478
  565    H    LEU  69           HN       LEU  69  -7.895  -2.166  -4.979
  566    HA   LEU  69           HA       LEU  69  -6.841  -1.092  -2.660
  567   1HB   LEU  69          HB2       LEU  69  -6.192  -1.016  -5.314
  568   2HB   LEU  69          HB1       LEU  69  -6.625   0.655  -5.011
  569    HG   LEU  69           HG       LEU  69  -4.972   0.737  -3.177
  570   1HD1  LEU  69          HD11      LEU  69  -4.960  -1.595  -2.537
  571   2HD1  LEU  69          HD12      LEU  69  -3.331  -1.087  -2.982
  572   3HD1  LEU  69          HD13      LEU  69  -4.292  -2.049  -4.105
  573   1HD2  LEU  69          HD21      LEU  69  -4.484   1.254  -5.645
  574   2HD2  LEU  69          HD22      LEU  69  -3.599  -0.271  -5.644
  575   3HD2  LEU  69          HD23      LEU  69  -3.115   1.030  -4.556
  576    H    GLU  70           HN       GLU  70  -8.537   0.914  -5.066
  577    HA   GLU  70           HA       GLU  70  -8.968   3.167  -3.672
  578   1HB   GLU  70          HB2       GLU  70 -10.028   2.087  -5.979
  579   2HB   GLU  70          HB1       GLU  70 -11.449   2.323  -4.971
  580   1HG   GLU  70          HG2       GLU  70 -11.106   4.633  -4.829
  581   2HG   GLU  70          HG1       GLU  70  -9.442   4.506  -5.398
  582    H    GLU  71           HN       GLU  71 -10.548   0.108  -3.109
  583    HA   GLU  71           HA       GLU  71 -12.623   1.073  -1.431
  584   1HB   GLU  71          HB2       GLU  71 -11.640  -1.488  -2.347
  585   2HB   GLU  71          HB1       GLU  71 -12.036  -1.550  -0.635
  586   1HG   GLU  71          HG2       GLU  71 -14.277  -0.887  -1.043
  587   2HG   GLU  71          HG1       GLU  71 -13.919  -0.494  -2.724
  588    H    ALA  72           HN       ALA  72  -9.404  -0.266  -0.775
  589    HA   ALA  72           HA       ALA  72  -9.707   0.198   2.075
  590   1HB   ALA  72          HB1       ALA  72  -8.565  -1.792   1.607
  591   2HB   ALA  72          HB2       ALA  72  -7.300  -0.664   2.095
  592   3HB   ALA  72          HB3       ALA  72  -7.548  -1.026   0.387
  593    H    GLY  73           HN       GLY  73  -9.352   2.293  -0.247
  594   1HA   GLY  73          HA2       GLY  73  -7.053   3.744   0.854
  595   2HA   GLY  73          HA1       GLY  73  -7.877   4.112  -0.653
  596    H    ALA  74           HN       ALA  74 -10.423   4.464  -0.067
  597    HA   ALA  74           HA       ALA  74 -10.630   6.216   2.263
  598   1HB   ALA  74          HB1       ALA  74 -10.689   8.128   1.133
  599   2HB   ALA  74          HB2       ALA  74 -11.908   7.494   0.027
  600   3HB   ALA  74          HB3       ALA  74 -10.196   7.236  -0.306
  601    H    LYS  75           HN       LYS  75 -11.781   3.633   0.927
  602    HA   LYS  75           HA       LYS  75 -14.625   4.327   1.038
  603   1HB   LYS  75          HB2       LYS  75 -13.218   2.682  -0.667
  604   2HB   LYS  75          HB1       LYS  75 -13.947   1.539   0.453
  605   1HG   LYS  75          HG2       LYS  75 -16.014   3.268  -0.156
  606   2HG   LYS  75          HG1       LYS  75 -15.155   3.071  -1.686
  607   1HD   LYS  75          HD2       LYS  75 -15.385   0.530  -0.391
  608   2HD   LYS  75          HD1       LYS  75 -16.975   1.291  -0.470
  609   1HE   LYS  75          HE2       LYS  75 -15.322   1.427  -2.916
  610   2HE   LYS  75          HE1       LYS  75 -15.930  -0.166  -2.468
  611   1HZ   LYS  75          HZ1       LYS  75 -18.175   0.821  -2.366
  612   2HZ   LYS  75          HZ2       LYS  75 -17.494   0.894  -3.912
  613   3HZ   LYS  75          HZ3       LYS  75 -17.543   2.280  -2.945
  614    H    ILE  76           HN       ILE  76 -15.408   1.597   1.681
  615    HA   ILE  76           HA       ILE  76 -16.040   1.673   4.277
  616    HB   ILE  76           HB       ILE  76 -15.069  -0.827   2.885
  617   1HG1  ILE  76          HG12      ILE  76 -17.806   0.450   3.062
  618   2HG1  ILE  76          HG11      ILE  76 -16.828   0.252   1.611
  619   1HG2  ILE  76          HG21      ILE  76 -15.333  -1.753   4.900
  620   2HG2  ILE  76          HG22      ILE  76 -17.063  -1.551   4.627
  621   3HG2  ILE  76          HG23      ILE  76 -16.166  -0.337   5.539
  622   1HD1  ILE  76          HD11      ILE  76 -17.077  -2.315   2.597
  623   2HD1  ILE  76          HD12      ILE  76 -17.974  -1.609   1.252
  624   3HD1  ILE  76          HD13      ILE  76 -18.659  -1.589   2.877
  625    H    ASN  77           HN       ASN  77 -15.152   1.304   6.263
  626    HA   ASN  77           HA       ASN  77 -12.231   1.241   6.366
  627   1HB   ASN  77          HB2       ASN  77 -12.639   1.810   8.816
  628   2HB   ASN  77          HB1       ASN  77 -13.124   3.029   7.641
  629   1HD2  ASN  77          HD21      ASN  77 -14.349   3.664   9.646
  630   2HD2  ASN  77          HD22      ASN  77 -15.942   3.018   9.820
  631    H    HIS  78           HN       HIS  78 -11.077  -0.389   7.245
  632    HA   HIS  78           HA       HIS  78 -12.537  -2.819   7.940
  633   1HB   HIS  78          HB2       HIS  78  -9.593  -2.900   7.934
  634   2HB   HIS  78          HB1       HIS  78 -10.753  -3.977   7.164
  635    HD1  HIS  78           HD1      HIS  78  -8.907  -0.748   6.588
  636    HD2  HIS  78           HD2      HIS  78 -11.247  -3.468   4.492
  637    HE1  HIS  78           HE1      HIS  78  -8.707  -0.084   4.170
  638    HE2  HIS  78           HE2      HIS  78 -10.199  -1.692   2.931
  639    H    THR  79           HN       THR  79 -12.536  -3.743   9.920
  640    HA   THR  79           HA       THR  79 -10.824  -2.580  12.002
  641    HB   THR  79           HB       THR  79 -13.002  -1.512  12.222
  642    HG1  THR  79           HG1      THR  79 -13.241  -1.923  14.342
  643   1HG2  THR  79          HG21      THR  79 -14.193  -3.627  11.210
  644   2HG2  THR  79          HG22      THR  79 -15.024  -2.542  12.324
  645   3HG2  THR  79          HG23      THR  79 -14.348  -4.061  12.912
  646    H    THR  80           HN       THR  80 -11.267  -5.203  10.349
  647    HA   THR  80           HA       THR  80 -10.692  -6.960  12.613
  648    HB   THR  80           HB       THR  80 -13.054  -7.312  12.226
  649    HG1  THR  80           HG1      THR  80 -11.944  -9.504  10.898
  650   1HG2  THR  80          HG21      THR  80 -12.971  -8.500   9.612
  651   2HG2  THR  80          HG22      THR  80 -12.507  -6.800   9.548
  652   3HG2  THR  80          HG23      THR  80 -14.053  -7.266  10.256
  653    H    LEU  81           HN       LEU  81  -9.486  -5.685  10.016
  654    HA   LEU  81           HA       LEU  81  -8.140  -6.326   8.259
  655   1HB   LEU  81          HB2       LEU  81  -7.114  -8.011  10.543
  656   2HB   LEU  81          HB1       LEU  81  -6.236  -7.723   9.052
  657    HG   LEU  81           HG       LEU  81  -6.875  -5.173   9.977
  658   1HD1  LEU  81          HD11      LEU  81  -5.561  -6.464  12.292
  659   2HD1  LEU  81          HD12      LEU  81  -7.308  -6.656  12.148
  660   3HD1  LEU  81          HD13      LEU  81  -6.602  -5.042  12.222
  661   1HD2  LEU  81          HD21      LEU  81  -4.441  -6.878   9.828
  662   2HD2  LEU  81          HD22      LEU  81  -4.343  -5.337  10.680
  663   3HD2  LEU  81          HD23      LEU  81  -4.825  -5.377   8.984
  664    H    LYS  82           HN       LYS  82 -10.616  -7.868   8.436
  665    HA   LYS  82           HA       LYS  82 -10.196 -10.611   8.046
  666   1HB   LYS  82          HB2       LYS  82 -12.378  -8.697   7.607
  667   2HB   LYS  82          HB1       LYS  82 -12.400 -10.066   6.503
  668   1HG   LYS  82          HG2       LYS  82 -12.008 -10.657   9.377
  669   2HG   LYS  82          HG1       LYS  82 -13.606 -10.107   8.869
  670   1HD   LYS  82          HD2       LYS  82 -13.039 -11.949   6.951
  671   2HD   LYS  82          HD1       LYS  82 -12.226 -12.648   8.353
  672   1HE   LYS  82          HE2       LYS  82 -14.607 -11.896   9.429
  673   2HE   LYS  82          HE1       LYS  82 -15.090 -12.326   7.789
  674   1HZ   LYS  82          HZ1       LYS  82 -15.227 -14.231   9.248
  675   2HZ   LYS  82          HZ2       LYS  82 -13.600 -14.067   9.678
  676   3HZ   LYS  82          HZ3       LYS  82 -14.016 -14.482   8.092
  677    H    ILE  83           HN       ILE  83 -10.470  -7.971   5.678
  678    HA   ILE  83           HA       ILE  83 -10.289  -9.366   3.328
  679    HB   ILE  83           HB       ILE  83  -9.165  -7.385   2.352
  680   1HG1  ILE  83          HG12      ILE  83  -9.014  -6.541   5.249
  681   2HG1  ILE  83          HG11      ILE  83  -7.680  -6.731   4.114
  682   1HG2  ILE  83          HG21      ILE  83 -10.959  -5.715   3.167
  683   2HG2  ILE  83          HG22      ILE  83 -11.560  -7.072   4.119
  684   3HG2  ILE  83          HG23      ILE  83 -11.477  -7.196   2.362
  685   1HD1  ILE  83          HD11      ILE  83  -8.377  -4.808   2.880
  686   2HD1  ILE  83          HD12      ILE  83  -8.293  -4.378   4.589
  687   3HD1  ILE  83          HD13      ILE  83  -9.857  -4.677   3.830
  688    H    LEU  84           HN       LEU  84  -7.588  -8.277   5.366
  689    HA   LEU  84           HA       LEU  84  -5.511  -9.221   3.745
  690   1HB   LEU  84          HB2       LEU  84  -5.819  -8.350   6.535
  691   2HB   LEU  84          HB1       LEU  84  -4.500  -9.474   6.271
  692    HG   LEU  84           HG       LEU  84  -4.029  -7.738   4.259
  693   1HD1  LEU  84          HD11      LEU  84  -5.877  -6.278   4.860
  694   2HD1  LEU  84          HD12      LEU  84  -4.333  -5.464   5.110
  695   3HD1  LEU  84          HD13      LEU  84  -5.227  -6.102   6.490
  696   1HD2  LEU  84          HD21      LEU  84  -2.371  -8.463   5.840
  697   2HD2  LEU  84          HD22      LEU  84  -3.133  -7.533   7.130
  698   3HD2  LEU  84          HD23      LEU  84  -2.364  -6.700   5.779
  699    H    GLU  85           HN       GLU  85  -7.553 -10.840   6.079
  700    HA   GLU  85           HA       GLU  85  -5.977 -13.234   6.185
  701   1HB   GLU  85          HB2       GLU  85  -7.823 -12.235   7.838
  702   2HB   GLU  85          HB1       GLU  85  -8.867 -13.283   6.888
  703   1HG   GLU  85          HG2       GLU  85  -8.225 -15.016   8.094
  704   2HG   GLU  85          HG1       GLU  85  -6.560 -14.769   7.571
  705    H    GLY  86           HN       GLY  86  -8.376 -11.958   4.078
  706   1HA   GLY  86          HA2       GLY  86  -8.944 -14.596   2.929
  707   2HA   GLY  86          HA1       GLY  86  -9.801 -13.106   2.564
  708    H    HIS  87           HN       HIS  87  -7.016 -11.814   2.356
  709    HA   HIS  87           HA       HIS  87  -5.955 -13.020  -0.051
  710   1HB   HIS  87          HB2       HIS  87  -6.430 -11.291  -1.557
  711   2HB   HIS  87          HB1       HIS  87  -7.942 -11.494  -0.680
  712    HD1  HIS  87           HD1      HIS  87  -5.211  -9.071  -1.316
  713    HD2  HIS  87           HD2      HIS  87  -8.566  -9.382   1.115
  714    HE1  HIS  87           HE1      HIS  87  -5.606  -6.756  -0.416
  715    HE2  HIS  87           HE2      HIS  87  -7.590  -6.987   1.120
  716    H    LEU  88           HN       LEU  88  -4.812 -12.649   2.461
  717    HA   LEU  88           HA       LEU  88  -2.408 -11.317   1.767
  718   1HB   LEU  88          HB2       LEU  88  -4.144  -9.475   2.473
  719   2HB   LEU  88          HB1       LEU  88  -3.745 -10.006   4.096
  720    HG   LEU  88           HG       LEU  88  -2.240  -8.306   3.878
  721   1HD1  LEU  88          HD11      LEU  88  -0.032  -9.181   3.344
  722   2HD1  LEU  88          HD12      LEU  88  -0.764 -10.564   2.531
  723   3HD1  LEU  88          HD13      LEU  88  -0.967 -10.355   4.270
  724   1HD2  LEU  88          HD21      LEU  88  -1.900  -8.969   0.956
  725   2HD2  LEU  88          HD22      LEU  88  -1.218  -7.583   1.807
  726   3HD2  LEU  88          HD23      LEU  88  -2.964  -7.718   1.598