*HEADER    ELECTRON TRANSPORT                      31-MAR-97   1C6S      
*TITLE     THE SOLUTION STRUCTURE OF CYTOCHROME C6 FROM THE              
*TITLE    2 THERMOPHILIC CYANOBACTERIUM SYNECHOCOCCUS ELONGATUS,         
*TITLE    3 NMR, 20 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CYTOCHROME C6;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: CYTOCHROME C553;                                    
*COMPND   5 OTHER_DETAILS: REDUCED                                       
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS;                
*SOURCE   3 ORGANISM_COMMON: BLUE-GREEN ALGA, CYANOBACTERIUM, BLUE-ALGA  
*KEYWDS    CYTOCHROME C6, ELECTRON TRANSPORT, NMR STRUCTURE,             
*KEYWDS   2 PHOTOSYNTHESIS, SYNECHOCOCCUS ELONGATUS                      
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    P.ROESCH,M.BEISSINGER,H.STICHT,M.SUTTER,A.EJCHART,W.HAEHNEL   
*REVDAT   1   12-OCT-04 1C6S    0   


!intraresidual NOEs (protein)   

assign (resid 1 and segid "CYTO" and name HA)  (resid 1 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 10 and segid "CYTO" and name HA)  (resid 10 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HA)  (resid 10 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HB1)  (resid 10 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 1.4
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HB1)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HE2)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 10 and segid "CYTO" and name HZ)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HE1)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 10 and segid "CYTO" and name HZ)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HE2)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE2)  (resid 10 and segid "CYTO" and name HZ)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HD*)  1.8 0.0 2.7
assign (resid 11 and segid "CYTO" and name HA)  (resid 11 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 11 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 12 and segid "CYTO" and name HA1)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 0.9
assign (resid 12 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HA1)  1.8 0.0 0.9
assign (resid 12 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 0.9
assign (resid 13 and segid "CYTO" and name HA)  (resid 13 and segid "CYTO" and name HD21)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HA)  (resid 13 and segid "CYTO" and name HD22)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HA)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HB1)  (resid 13 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HB1)  (resid 13 and segid "CYTO" and name HD21)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HB1)  (resid 13 and segid "CYTO" and name HD22)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HB1)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HB2)  (resid 13 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HB2)  (resid 13 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 13 and segid "CYTO" and name HB2)  (resid 13 and segid "CYTO" and name HD21)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HB2)  (resid 13 and segid "CYTO" and name HD22)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HB2)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 13 and segid "CYTO" and name HD21)  1.8 0.0 0.9
assign (resid 13 and segid "CYTO" and name HD22)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 13 and segid "CYTO" and name HD21)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HB1)  (resid 14 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 14 and segid "CYTO" and name HB2)  (resid 14 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HB2)  (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 14 and segid "CYTO" and name HB2)  (resid 14 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HN)  (resid 14 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HA)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 15 and segid "CYTO" and name HA)  (resid 15 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 15 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 16 and segid "CYTO" and name HA)  (resid 16 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 16 and segid "CYTO" and name HB*)  (resid 16 and segid "CYTO" and name HA)  1.8 0.0 1.4
assign (resid 16 and segid "CYTO" and name HB*)  (resid 16 and segid "CYTO" and name HN)  1.8 0.0 1.4
assign (resid 17 and segid "CYTO" and name HA)  (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 17 and segid "CYTO" and name HA)  (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 17 and segid "CYTO" and name HB1)  (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 17 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 17 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 17 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HA)  (resid 18 and segid "CYTO" and name HD1)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HA)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HB1)  (resid 18 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 18 and segid "CYTO" and name HB1)  (resid 18 and segid "CYTO" and name HD1)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HB2)  (resid 18 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HB2)  (resid 18 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HB2)  (resid 18 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HB2)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD2)  (resid 18 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD2)  (resid 18 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HD2)  (resid 18 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD2)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HB1)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HD1)  1.8 0.0 0.9
assign (resid 18 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HA)  (resid 19 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HB1)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 19 and segid "CYTO" and name HB1)  (resid 19 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HB1)  (resid 19 and segid "CYTO" and name HG2)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HB1)  (resid 19 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HB2)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 19 and segid "CYTO" and name HB2)  (resid 19 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 19 and segid "CYTO" and name HB2)  (resid 19 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HB2)  (resid 19 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HG1)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HG1)  (resid 19 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HG2)  (resid 19 and segid "CYTO" and name HG1)  1.8 0.0 0.9
assign (resid 2 and segid "CYTO" and name HB1)  (resid 2 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 2 and segid "CYTO" and name HN)  (resid 2 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 2 and segid "CYTO" and name HN)  (resid 2 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 2 and segid "CYTO" and name HN)  (resid 2 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 20 and segid "CYTO" and name HA1)  (resid 20 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 20 and segid "CYTO" and name HA2)  (resid 20 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HA1)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 21 and segid "CYTO" and name HN)  (resid 21 and segid "CYTO" and name HA1)  1.8 0.0 0.9
assign (resid 21 and segid "CYTO" and name HN)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 22 and segid "CYTO" and name HA1)  (resid 22 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 22 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HA1)  1.8 0.0 2.2
assign (resid 22 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 23 and segid "CYTO" and name HA)  (resid 23 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HB1)  (resid 23 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HB1)  (resid 23 and segid "CYTO" and name HD22)  1.8 0.0 2.2
assign (resid 23 and segid "CYTO" and name HB2)  (resid 23 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 23 and segid "CYTO" and name HB2)  (resid 23 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HD21)  (resid 23 and segid "CYTO" and name HD22)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HD22)  (resid 23 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HA)  (resid 24 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 24 and segid "CYTO" and name HB)  (resid 24 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 24 and segid "CYTO" and name HB)  (resid 24 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 24 and segid "CYTO" and name HG1*)  (resid 24 and segid "CYTO" and name HA)  1.8 0.0 1.9
assign (resid 24 and segid "CYTO" and name HG1*)  (resid 24 and segid "CYTO" and name HB)  1.8 0.0 1.9
assign (resid 24 and segid "CYTO" and name HG1*)  (resid 24 and segid "CYTO" and name HN)  1.8 0.0 1.9
assign (resid 24 and segid "CYTO" and name HG2*)  (resid 24 and segid "CYTO" and name HA)  1.8 0.0 1.9
assign (resid 24 and segid "CYTO" and name HG2*)  (resid 24 and segid "CYTO" and name HB)  1.8 0.0 1.9
assign (resid 24 and segid "CYTO" and name HG2*)  (resid 24 and segid "CYTO" and name HG1*)  1.8 0.0 2.9
assign (resid 24 and segid "CYTO" and name HG2*)  (resid 24 and segid "CYTO" and name HN)  1.8 0.0 1.9
assign (resid 25 and segid "CYTO" and name HA)  (resid 25 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 25 and segid "CYTO" and name HB)  (resid 25 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 25 and segid "CYTO" and name HB)  (resid 25 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 25 and segid "CYTO" and name HG1*)  (resid 25 and segid "CYTO" and name HA)  1.8 0.0 1.9
assign (resid 25 and segid "CYTO" and name HG1*)  (resid 25 and segid "CYTO" and name HB)  1.8 0.0 1.9
assign (resid 25 and segid "CYTO" and name HG1*)  (resid 25 and segid "CYTO" and name HN)  1.8 0.0 3.2
assign (resid 25 and segid "CYTO" and name HG2*)  (resid 25 and segid "CYTO" and name HA)  1.8 0.0 1.9
assign (resid 25 and segid "CYTO" and name HG2*)  (resid 25 and segid "CYTO" and name HB)  1.8 0.0 1.9
assign (resid 25 and segid "CYTO" and name HG2*)  (resid 25 and segid "CYTO" and name HN)  1.8 0.0 3.2
assign (resid 26 and segid "CYTO" and name HB1)  (resid 26 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 26 and segid "CYTO" and name HG1)  (resid 26 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 26 and segid "CYTO" and name HG2)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HG2)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 26 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 27 and segid "CYTO" and name HA)  (resid 27 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 27 and segid "CYTO" and name HN)  (resid 27 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 27 and segid "CYTO" and name HN)  (resid 27 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 28 and segid "CYTO" and name HA)  (resid 28 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 28 and segid "CYTO" and name HA)  (resid 28 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 28 and segid "CYTO" and name HA)  (resid 28 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 28 and segid "CYTO" and name HB1)  (resid 28 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 28 and segid "CYTO" and name HB1)  (resid 28 and segid "CYTO" and name HD21)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HB1)  (resid 28 and segid "CYTO" and name HD22)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HB1)  (resid 28 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HB2)  (resid 28 and segid "CYTO" and name HD21)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HB2)  (resid 28 and segid "CYTO" and name HD22)  1.8 0.0 2.2
assign (resid 28 and segid "CYTO" and name HB2)  (resid 28 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HD21)  (resid 28 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HD22)  (resid 28 and segid "CYTO" and name HD21)  1.8 0.0 0.9
assign (resid 29 and segid "CYTO" and name HA)  (resid 29 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 3 and segid "CYTO" and name HA)  (resid 3 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 3 and segid "CYTO" and name HA)  (resid 3 and segid "CYTO" and name HD1*)  1.8 0.0 4.7
assign (resid 3 and segid "CYTO" and name HA)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 3 and segid "CYTO" and name HA)  (resid 3 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 3 and segid "CYTO" and name HB*)  (resid 3 and segid "CYTO" and name HD1*)  1.8 0.0 5.2
assign (resid 3 and segid "CYTO" and name HB*)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 5.2
assign (resid 3 and segid "CYTO" and name HG)  (resid 3 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 3 and segid "CYTO" and name HG)  (resid 3 and segid "CYTO" and name HD1*)  1.8 0.0 3.2
assign (resid 3 and segid "CYTO" and name HG)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 3 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 3 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 3 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HD1*)  1.8 0.0 4.7
assign (resid 3 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 4.7
assign (resid 3 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HG)  1.8 0.0 2.2
assign (resid 30 and segid "CYTO" and name HA)  (resid 30 and segid "CYTO" and name HB)  1.8 0.0 2.2
assign (resid 30 and segid "CYTO" and name HA)  (resid 30 and segid "CYTO" and name HG*)  1.8 0.0 1.4
assign (resid 30 and segid "CYTO" and name HB)  (resid 30 and segid "CYTO" and name HG*)  1.8 0.0 1.4
assign (resid 30 and segid "CYTO" and name HB)  (resid 30 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 30 and segid "CYTO" and name HN)  (resid 30 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 30 and segid "CYTO" and name HN)  (resid 30 and segid "CYTO" and name HG*)  1.8 0.0 1.4
assign (resid 31 and segid "CYTO" and name HA)  (resid 31 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 31 and segid "CYTO" and name HB1)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 31 and segid "CYTO" and name HB1)  (resid 31 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 31 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 2.2
assign (resid 31 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 1.9
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 3.2
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HB2)  1.8 0.0 3.2
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.9
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 1.9
assign (resid 31 and segid "CYTO" and name HD1*)  (resid 31 and segid "CYTO" and name HN)  1.8 0.0 4.7
assign (resid 31 and segid "CYTO" and name HD2*)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 4.7
assign (resid 31 and segid "CYTO" and name HD2*)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 1.9
assign (resid 31 and segid "CYTO" and name HD2*)  (resid 31 and segid "CYTO" and name HB2)  1.8 0.0 3.2
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assign (resid 31 and segid "CYTO" and name HG)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HG)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 2.2
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assign (resid 32 and segid "CYTO" and name HD*)  (resid 32 and segid "CYTO" and name HG*)  1.8 0.0 1.9
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assign (resid 32 and segid "CYTO" and name HG*)  (resid 32 and segid "CYTO" and name HN)  1.8 0.0 2.7
assign (resid 32 and segid "CYTO" and name HG*)  (resid 32 and segid "CYTO" and name HZ*)  1.8 0.0 4.7
assign (resid 32 and segid "CYTO" and name HN)  (resid 32 and segid "CYTO" and name HD*)  1.8 0.0 1.4
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assign (resid 32 and segid "CYTO" and name HZ*)  (resid 32 and segid "CYTO" and name HN)  1.8 0.0 4.2
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assign (resid 33 and segid "CYTO" and name HG1)  (resid 33 and segid "CYTO" and name HD*)  1.8 0.0 2.7
assign (resid 33 and segid "CYTO" and name HG1)  (resid 33 and segid "CYTO" and name HG2)  1.8 0.0 0.9
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assign (resid 33 and segid "CYTO" and name HN)  (resid 33 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 33 and segid "CYTO" and name HN)  (resid 33 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 33 and segid "CYTO" and name HN)  (resid 33 and segid "CYTO" and name HG2)  1.8 0.0 3.7
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assign (resid 34 and segid "CYTO" and name HN)  (resid 34 and segid "CYTO" and name HG1)  1.8 0.0 2.2
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assign (resid 36 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 36 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HA)  1.8 0.0 2.2
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assign (resid 36 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HG)  1.8 0.0 0.9
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assign (resid 37 and segid "CYTO" and name HN)  (resid 37 and segid "CYTO" and name HG*)  1.8 0.0 2.7
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assign (resid 38 and segid "CYTO" and name HG2)  (resid 38 and segid "CYTO" and name HG1)  1.8 0.0 0.9
assign (resid 38 and segid "CYTO" and name HN)  (resid 38 and segid "CYTO" and name HA)  1.8 0.0 0.9
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assign (resid 39 and segid "CYTO" and name HN)  (resid 39 and segid "CYTO" and name HA)  1.8 0.0 0.9
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assign (resid 4 and segid "CYTO" and name HN)  (resid 4 and segid "CYTO" and name HA)  1.8 0.0 0.9
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assign (resid 76 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HB1)  1.8 0.0 0.9
assign (resid 76 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 76 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 76 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HA)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 2.2
assign (resid 77 and segid "CYTO" and name HA)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 77 and segid "CYTO" and name HA)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 77 and segid "CYTO" and name HB)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 77 and segid "CYTO" and name HB)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 3.2
assign (resid 77 and segid "CYTO" and name HG1*)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 2.9
assign (resid 77 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 77 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 0.9
assign (resid 77 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 77 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 3.2
assign (resid 78 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 78 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 4.7
assign (resid 78 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 78 and segid "CYTO" and name HB*)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 3.7
assign (resid 78 and segid "CYTO" and name HG)  (resid 78 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 78 and segid "CYTO" and name HG)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 1.9
assign (resid 78 and segid "CYTO" and name HG)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 78 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 78 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 78 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HG)  1.8 0.0 0.9
assign (resid 79 and segid "CYTO" and name HA)  (resid 79 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 79 and segid "CYTO" and name HA)  (resid 79 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 79 and segid "CYTO" and name HN)  (resid 79 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 79 and segid "CYTO" and name HN)  (resid 79 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 79 and segid "CYTO" and name HN)  (resid 79 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 8 and segid "CYTO" and name HA)  (resid 8 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 8 and segid "CYTO" and name HA)  (resid 8 and segid "CYTO" and name HD*)  1.8 0.0 2.7
assign (resid 8 and segid "CYTO" and name HA)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 4.2
assign (resid 8 and segid "CYTO" and name HB*)  (resid 8 and segid "CYTO" and name HD*)  1.8 0.0 3.2
assign (resid 8 and segid "CYTO" and name HB*)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 1.9
assign (resid 8 and segid "CYTO" and name HD*)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 1.9
assign (resid 8 and segid "CYTO" and name HE*)  (resid 8 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 8 and segid "CYTO" and name HE*)  (resid 8 and segid "CYTO" and name HD*)  1.8 0.0 1.9
assign (resid 8 and segid "CYTO" and name HE*)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 1.9
assign (resid 8 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 8 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 8 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 8 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 4.2
assign (resid 80 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HB2)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HE21)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HE21)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HE21)  (resid 80 and segid "CYTO" and name HE22)  1.8 0.0 0.9
assign (resid 80 and segid "CYTO" and name HE21)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HE21)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HE22)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HE22)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HE22)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HE22)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HE22)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HG1)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HG1)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HG1)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 0.9
assign (resid 80 and segid "CYTO" and name HG2)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HG2)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HE21)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HE22)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 2.2
assign (resid 81 and segid "CYTO" and name HA)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 82 and segid "CYTO" and name HA)  (resid 82 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 82 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 82 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 83 and segid "CYTO" and name HA)  (resid 83 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 83 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 83 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 83 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 83 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HG*)  1.8 0.0 2.7
assign (resid 84 and segid "CYTO" and name HA1)  (resid 84 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 84 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HA1)  1.8 0.0 2.2
assign (resid 84 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 85 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HB1)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HE1)  (resid 85 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 85 and segid "CYTO" and name HD1)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HE1)  (resid 85 and segid "CYTO" and name HZ2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 85 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HE3)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HE3)  (resid 85 and segid "CYTO" and name HH2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 85 and segid "CYTO" and name HZ3)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 85 and segid "CYTO" and name HH2)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 85 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 85 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 85 and segid "CYTO" and name HH2)  1.8 0.0 0.9
assign (resid 86 and segid "CYTO" and name HA)  (resid 86 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 86 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 86 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 87 and segid "CYTO" and name HA1)  (resid 87 and segid "CYTO" and name HA2)  1.8 0.0 0.9
assign (resid 87 and segid "CYTO" and name HN)  (resid 87 and segid "CYTO" and name HA1)  1.8 0.0 0.9
assign (resid 87 and segid "CYTO" and name HN)  (resid 87 and segid "CYTO" and name HA2)  1.8 0.0 0.9
assign (resid 9 and segid "CYTO" and name HA)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 2.2
assign (resid 9 and segid "CYTO" and name HA)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 9 and segid "CYTO" and name HA)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 9 and segid "CYTO" and name HA)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 9 and segid "CYTO" and name HB)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 3.2
assign (resid 9 and segid "CYTO" and name HB)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 9 and segid "CYTO" and name HG1*)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 2.9
assign (resid 9 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 0.9
assign (resid 9 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 9 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 4.7


! intraresidual NOEs (Heme)

assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HAA1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HAA2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HAD1)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HAD2)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HBA1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HBA2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HMA*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HA) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAA2) (resid 1 and segid "HEME" and name HMA*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HAB) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HAB) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAB) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 2.9
assign (resid 1 and segid "HEME" and name HAC) (resid 1 and segid "HEME" and name HBC*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HAC) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAC) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HAD1) (resid 1 and segid "HEME" and name HAD2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAD1) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HAD1) (resid 1 and segid "HEME" and name HBD2)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HAD2) (resid 1 and segid "HEME" and name HBA1)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HAD2) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAD2) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HB) (resid 1 and segid "HEME" and name HBA2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 1 and segid "HEME" and name HMA*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HB) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HC) (resid 1 and segid "HEME" and name HAB)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HC) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HC) (resid 1 and segid "HEME" and name HBC*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HC) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HC) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HD) (resid 1 and segid "HEME" and name HAC)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HD) (resid 1 and segid "HEME" and name HAD1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 1 and segid "HEME" and name HBC*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HD) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HD) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HMA*) (resid 1 and segid "HEME" and name HBA2)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HMB*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMB*) (resid 1 and segid "HEME" and name HMA*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HMC*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMC*) (resid 1 and segid "HEME" and name HBC*)  1.8 0.0 2.4
assign (resid 1 and segid "HEME" and name HMD*) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 1 and segid "HEME" and name HBD2)  1.8 0.0 1.4



!sequential (|i - j| = 1) NOEs

assign (resid 1 and segid "CYTO" and name HA)  (resid 2 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 1 and segid "CYTO" and name HB*)  (resid 2 and segid "CYTO" and name HN)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 11 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HD*)  1.8 0.0 2.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 12 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 12 and segid "CYTO" and name HN)  (resid 13 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HA)  (resid 12 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HA)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD21)  (resid 12 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD21)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD21)  (resid 12 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 12 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HN)  (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HA)  (resid 13 and segid "CYTO" and name HB2)  1.8 0.0 3.7
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assign (resid 76 and segid "CYTO" and name HD1)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 76 and segid "CYTO" and name HD2)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 76 and segid "CYTO" and name HN)  (resid 75 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 76 and segid "CYTO" and name HN)  (resid 75 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 76 and segid "CYTO" and name HN)  (resid 75 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 76 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 76 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 2.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 77 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 77 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 77 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 77 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 78 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 78 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 2.2
assign (resid 78 and segid "CYTO" and name HN)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 2.7
assign (resid 79 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 79 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 79 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 79 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 79 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HE21)  1.8 0.0 3.7
assign (resid 79 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 8 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 8 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 8 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 80 and segid "CYTO" and name HN)  (resid 79 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 80 and segid "CYTO" and name HN)  (resid 79 and segid "CYTO" and name HB2)  1.8 0.0 0.9
assign (resid 81 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 81 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 81 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 82 and segid "CYTO" and name HA)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 82 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 82 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 83 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 83 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 83 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 84 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 84 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 84 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 84 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 84 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 84 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HA)  (resid 86 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HA1)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HA2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HN)  (resid 84 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HN)  1.8 0.0 2.2
assign (resid 86 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 86 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 86 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 87 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 87 and segid "CYTO" and name HN)  (resid 86 and segid "CYTO" and name HN)  1.8 0.0 0.9
assign (resid 9 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HB*)  1.8 0.0 1.4
assign (resid 9 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HG*)  1.8 0.0 4.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HN)  1.8 0.0 0.9


!short range interresidue (|i - j| = 2,3,4,5) NOEs

assign (resid 10 and segid "CYTO" and name HA)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HB1)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HB1)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HB2)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 14 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 14 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 1.9
assign (resid 10 and segid "CYTO" and name HD*)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 14 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HE2)  (resid 14 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE2)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 12 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 6 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HZ)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HA)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HB*)  (resid 8 and segid "CYTO" and name HA)  1.8 0.0 2.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 13 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 14 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 8 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 11 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 11 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 12 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 12 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD21)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD21)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HD21)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD21)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD21)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 13 and segid "CYTO" and name HD22)  (resid 9 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HD22)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD22)  (resid 9 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 13 and segid "CYTO" and name HN)  (resid 9 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 14 and segid "CYTO" and name HA)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HA)  (resid 16 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 14 and segid "CYTO" and name HA)  (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HA)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HB1)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 14 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 14 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HA)  (resid 18 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HA)  (resid 19 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 15 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HN)  (resid 11 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 15 and segid "CYTO" and name HN)  (resid 13 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HN)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 15 and segid "CYTO" and name HN)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 16 and segid "CYTO" and name HN)  (resid 14 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 16 and segid "CYTO" and name HN)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 17 and segid "CYTO" and name HN)  (resid 14 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 17 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 23 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HN)  (resid 16 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 19 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 19 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 19 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HN)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 19 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 2 and segid "CYTO" and name HN)  (resid 4 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 20 and segid "CYTO" and name HN)  (resid 15 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 20 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HN)  (resid 18 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HN)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 22 and segid "CYTO" and name HN)  (resid 18 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HA)  (resid 18 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HB1)  (resid 18 and segid "CYTO" and name HE1)  1.8 0.0 2.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HG1)  (resid 29 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HG1)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HG2)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HN)  (resid 24 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 26 and segid "CYTO" and name HN)  (resid 24 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 26 and segid "CYTO" and name HN)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HD21)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 28 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 29 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 29 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 29 and segid "CYTO" and name HN)  (resid 26 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 3 and segid "CYTO" and name HA)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 3 and segid "CYTO" and name HN)  (resid 5 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 30 and segid "CYTO" and name HA)  (resid 35 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 30 and segid "CYTO" and name HN)  (resid 35 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 30 and segid "CYTO" and name HN)  (resid 35 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 31 and segid "CYTO" and name HA)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 31 and segid "CYTO" and name HB1)  (resid 36 and segid "CYTO" and name HD1*)  1.8 0.0 2.7
assign (resid 32 and segid "CYTO" and name HN)  (resid 30 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 32 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HD1*)  1.8 0.0 3.2
assign (resid 32 and segid "CYTO" and name HZ*)  (resid 30 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 32 and segid "CYTO" and name HZ*)  (resid 30 and segid "CYTO" and name HB)  1.8 0.0 4.2
assign (resid 32 and segid "CYTO" and name HZ*)  (resid 30 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
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assign (resid 83 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 84 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 84 and segid "CYTO" and name HN)  (resid 82 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HA)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HD1)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HD1)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HD1)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 81 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 3.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 81 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 82 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HN)  (resid 83 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 80 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 80 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 80 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 80 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 80 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 86 and segid "CYTO" and name HA)  (resid 83 and segid "CYTO" and name HG*)  1.8 0.0 4.2
assign (resid 87 and segid "CYTO" and name HA1)  (resid 85 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HG1*)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 2.7
assign (resid 9 and segid "CYTO" and name HG1*)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 2.7
assign (resid 9 and segid "CYTO" and name HG2*)  (resid 6 and segid "CYTO" and name HA1)  1.8 0.0 4.2
assign (resid 9 and segid "CYTO" and name HG2*)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 4.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 5 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 6 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 6 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 7 and segid "CYTO" and name HN)  1.8 0.0 3.7


!long range interresidue (|i - j| > 5) NOEs 

assign (resid 10 and segid "CYTO" and name HA)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HB1)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HB2)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 18 and segid "CYTO" and name HB2)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 5.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 73 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 2.4
assign (resid 10 and segid "CYTO" and name HD*)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 4.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 76 and segid "CYTO" and name HD1)  1.8 0.0 4.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 76 and segid "CYTO" and name HE1)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 4.7
assign (resid 10 and segid "CYTO" and name HD*)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 3.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 85 and segid "CYTO" and name HH2)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*)  (resid 85 and segid "CYTO" and name HZ3)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 10 and segid "CYTO" and name HE1)  (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 85 and segid "CYTO" and name HH2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE1)  (resid 85 and segid "CYTO" and name HZ3)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HE2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HN)  (resid 73 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 73 and segid "CYTO" and name HG1*)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 1.4
assign (resid 10 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HN)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HZ)  (resid 18 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HZ)  (resid 18 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HZ)  (resid 19 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 10 and segid "CYTO" and name HZ)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HZ)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 4.7
assign (resid 13 and segid "CYTO" and name HA)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HB1)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HB1)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HB2)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HB2)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD21)  (resid 65 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD21)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD22)  (resid 65 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HD22)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 17 and segid "CYTO" and name HA)  (resid 24 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 17 and segid "CYTO" and name HA)  (resid 24 and segid "CYTO" and name HG1*)  1.8 0.0 1.4
assign (resid 17 and segid "CYTO" and name HA)  (resid 24 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HA)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 18 and segid "CYTO" and name HA)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 18 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 18 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HB2)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 10 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 18 and segid "CYTO" and name HD1)  (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 10 and segid "CYTO" and name HZ)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 24 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HD1)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 2.2
assign (resid 18 and segid "CYTO" and name HD2)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 18 and segid "CYTO" and name HD2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 20 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HZ)  1.8 0.0 3.7
assign (resid 20 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HE3)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HA1)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 21 and segid "CYTO" and name HA2)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 21 and segid "CYTO" and name HA2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 21 and segid "CYTO" and name HN)  (resid 31 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HN)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 21 and segid "CYTO" and name HN)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 21 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 22 and segid "CYTO" and name HA2)  (resid 30 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 22 and segid "CYTO" and name HN)  (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 22 and segid "CYTO" and name HN)  (resid 30 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 22 and segid "CYTO" and name HN)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 23 and segid "CYTO" and name HA)  (resid 30 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 23 and segid "CYTO" and name HB1)  (resid 29 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HB1)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 23 and segid "CYTO" and name HN)  (resid 30 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 24 and segid "CYTO" and name HN)  (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 29 and segid "CYTO" and name HN)  (resid 23 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 29 and segid "CYTO" and name HN)  (resid 23 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 30 and segid "CYTO" and name HA)  (resid 23 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 30 and segid "CYTO" and name HA)  (resid 23 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 30 and segid "CYTO" and name HN)  (resid 23 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HN)  (resid 22 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HN)  (resid 23 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 31 and segid "CYTO" and name HN)  (resid 23 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 32 and segid "CYTO" and name HA)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 33 and segid "CYTO" and name HA)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 3.2
assign (resid 33 and segid "CYTO" and name HN)  (resid 81 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 33 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 33 and segid "CYTO" and name HN)  (resid 85 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 39 and segid "CYTO" and name HD*)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 4.2
assign (resid 39 and segid "CYTO" and name HE*)  (resid 29 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 39 and segid "CYTO" and name HE*)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 4.2
assign (resid 39 and segid "CYTO" and name HZ)  (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 42 and segid "CYTO" and name HB1)  (resid 36 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 42 and segid "CYTO" and name HD*)  (resid 36 and segid "CYTO" and name HB*)  1.8 0.0 3.2
assign (resid 42 and segid "CYTO" and name HD*)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 42 and segid "CYTO" and name HD*)  (resid 36 and segid "CYTO" and name HG)  1.8 0.0 2.7
assign (resid 42 and segid "CYTO" and name HD*)  (resid 78 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 42 and segid "CYTO" and name HD*)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 4.7
assign (resid 42 and segid "CYTO" and name HD*)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 42 and segid "CYTO" and name HE*)  (resid 33 and segid "CYTO" and name HA)  1.8 0.0 2.7
assign (resid 42 and segid "CYTO" and name HE*)  (resid 36 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 42 and segid "CYTO" and name HE*)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 42 and segid "CYTO" and name HE*)  (resid 36 and segid "CYTO" and name HG)  1.8 0.0 4.2
assign (resid 42 and segid "CYTO" and name HE*)  (resid 78 and segid "CYTO" and name HA)  1.8 0.0 2.7
assign (resid 42 and segid "CYTO" and name HE*)  (resid 78 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 42 and segid "CYTO" and name HE*)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 3.2
assign (resid 42 and segid "CYTO" and name HE*)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 42 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 42 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 42 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 42 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 43 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 2.7
assign (resid 43 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 43 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 43 and segid "CYTO" and name HN)  (resid 78 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 44 and segid "CYTO" and name HA)  (resid 74 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 44 and segid "CYTO" and name HA)  (resid 78 and segid "CYTO" and name HD1*)  1.8 0.0 1.4
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assign (resid 77 and segid "CYTO" and name HG2*)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 3.2
assign (resid 77 and segid "CYTO" and name HG2*)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 1.9
assign (resid 77 and segid "CYTO" and name HN)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 77 and segid "CYTO" and name HN)  (resid 47 and segid "CYTO" and name HG2*)  1.8 0.0 2.7
assign (resid 78 and segid "CYTO" and name HN)  (resid 47 and segid "CYTO" and name HD*)  1.8 0.0 3.7
assign (resid 79 and segid "CYTO" and name HA)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 79 and segid "CYTO" and name HB*)  (resid 3 and segid "CYTO" and name HB*)  1.8 0.0 4.7
assign (resid 79 and segid "CYTO" and name HB*)  (resid 3 and segid "CYTO" and name HD1*)  1.8 0.0 4.7
assign (resid 79 and segid "CYTO" and name HB*)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 79 and segid "CYTO" and name HN)  (resid 3 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 81 and segid "CYTO" and name HB*)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 81 and segid "CYTO" and name HN)  (resid 42 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 82 and segid "CYTO" and name HA)  (resid 33 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 82 and segid "CYTO" and name HA)  (resid 33 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 82 and segid "CYTO" and name HN)  (resid 42 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HB2)  (resid 32 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HD1)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HD1)  (resid 32 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 85 and segid "CYTO" and name HE1)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE1)  (resid 32 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 32 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 33 and segid "CYTO" and name HB*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HE1)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 21 and segid "CYTO" and name HA1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HE3)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HH2)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HH2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HH2)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HH2)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HH2)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 31 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 31 and segid "CYTO" and name HB2)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 31 and segid "CYTO" and name HG)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 2.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 77 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 3.2
assign (resid 85 and segid "CYTO" and name HZ2)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 21 and segid "CYTO" and name HA2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 76 and segid "CYTO" and name HE2)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 77 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 85 and segid "CYTO" and name HZ3)  (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 9 and segid "CYTO" and name HG1*)  (resid 69 and segid "CYTO" and name HA)  1.8 0.0 2.7
assign (resid 9 and segid "CYTO" and name HG2*)  (resid 65 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 72 and segid "CYTO" and name HB1)  1.8 0.0 4.2
assign (resid 9 and segid "CYTO" and name HN)  (resid 73 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 9 and segid "CYTO" and name HN)  (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 4.2



!NOEs observed between protein and Heme group

assign (resid 1 and segid "HEME" and name HB) (resid 10 and segid "CYTO" and name HD*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HB) (resid 10 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAB) (resid 13 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAB) (resid 13 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HC) (resid 13 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HC) (resid 13 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAB) (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HC) (resid 14 and segid "CYTO" and name HA)  1.8 0.0 0.9
assign (resid 1 and segid "HEME" and name HC) (resid 14 and segid "CYTO" and name HB1)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HC) (resid 14 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMC*) (resid 16 and segid "CYTO" and name HB*)  1.8 0.0 2.4
assign (resid 1 and segid "HEME" and name HAC) (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAC) (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HBC*) (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HC) (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HC) (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 17 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMC*) (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HMC*) (resid 17 and segid "CYTO" and name HB1)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HMC*) (resid 17 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HA) (resid 18 and segid "CYTO" and name HE1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAB) (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HC) (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMB*) (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMC*) (resid 18 and segid "CYTO" and name HD2)  1.8 0.0 3.2
assign (resid 1 and name HA and segid "HEME")  (resid 23 and name HD21 and segid "CYTO")  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 24 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAC) (resid 25 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HBC*) (resid 25 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HD) (resid 25 and segid "CYTO" and name HG1*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HD) (resid 25 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HD) (resid 25 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 25 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMD*) (resid 25 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HA) (resid 26 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 26 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 26 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 26 and segid "CYTO" and name HG2)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HA) (resid 29 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 29 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 29 and segid "CYTO" and name HG*)  1.8 0.0 4.2
assign (resid 1 and name HBA1 and segid "HEME")  (resid 31 and name HD1* and segid "CYTO")  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HA) (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HB) (resid 31 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HB) (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HBA1) (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HBA1) (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 31 and segid "CYTO" and name HB1)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMA*) (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMA*) (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HMA*) (resid 31 and segid "CYTO" and name HG)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMB*) (resid 31 and segid "CYTO" and name HD1*)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMB*) (resid 31 and segid "CYTO" and name HD2*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HMA*) (resid 36 and segid "CYTO" and name HD1*)  1.8 0.0 2.4
assign (resid 1 and segid "HEME" and name HMA*) (resid 36 and segid "CYTO" and name HD2*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HB) (resid 47 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 47 and segid "CYTO" and name HB)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 47 and segid "CYTO" and name HD*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HB) (resid 47 and segid "CYTO" and name HG1*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HB) (resid 47 and segid "CYTO" and name HG2*)  1.8 0.0 2.4
assign (resid 1 and segid "HEME" and name HMA*) (resid 47 and segid "CYTO" and name HB)  1.8 0.0 1.4
assign (resid 1 and segid "HEME" and name HMA*) (resid 47 and segid "CYTO" and name HD*)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 47 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMA*) (resid 47 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMB*) (resid 47 and segid "CYTO" and name HB)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMB*) (resid 47 and segid "CYTO" and name HG1*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HMB*) (resid 47 and segid "CYTO" and name HG2*)  1.8 0.0 2.4
assign (resid 1 and segid "HEME" and name HA) (resid 50 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 50 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAA2) (resid 50 and segid "CYTO" and name HG1)  1.8 0.0 2.2
assign (resid 1 and segid "HEME" and name HAA2) (resid 50 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 50 and segid "CYTO" and name HG1)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAB) (resid 51 and segid "CYTO" and name HG1*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAB) (resid 51 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HB) (resid 51 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 51 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HB) (resid 51 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HBB*) (resid 51 and segid "CYTO" and name HG1*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HBB*) (resid 51 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMA*) (resid 51 and segid "CYTO" and name HG1*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HMB*) (resid 51 and segid "CYTO" and name HA)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMB*) (resid 51 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMB*) (resid 51 and segid "CYTO" and name HG2*)  1.8 0.0 3.2
assign (resid 1 and name HA and segid "HEME")  (resid 55 and name HB1 and segid "CYTO")  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 55 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HA) (resid 55 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HBD1) (resid 55 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HBC*) (resid 57 and segid "CYTO" and name HB*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HD) (resid 57 and segid "CYTO" and name HB*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 57 and segid "CYTO" and name HB*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HAB) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HAC) (resid 58 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HB) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HBB*) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 3.2
assign (resid 1 and segid "HEME" and name HC) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HC) (resid 58 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HA)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HB1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HG2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 58 and segid "CYTO" and name HN)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HMB*) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMC*) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 58 and segid "CYTO" and name HB1)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMD*) (resid 58 and segid "CYTO" and name HB2)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMD*) (resid 58 and segid "CYTO" and name HE*)  1.8 0.0 5.2
assign (resid 1 and segid "HEME" and name HMD*) (resid 58 and segid "CYTO" and name HG2)  1.8 0.0 4.2
assign (resid 1 and name HAC and segid "HEME")  (resid 59 and name HG2 and segid "CYTO")  1.8 0.0 2.2
assign (resid 1 and name HC and segid "HEME")  (resid 59 and name HB2 and segid "CYTO")  1.8 0.0 3.7
assign (resid 1 and name HD and segid "HEME")  (resid 59 and name HG2 and segid "CYTO")  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAC) (resid 59 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HAC) (resid 59 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HBC*) (resid 59 and segid "CYTO" and name HB2)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HBC*) (resid 59 and segid "CYTO" and name HG1)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HBC*) (resid 59 and segid "CYTO" and name HG2)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HC) (resid 59 and segid "CYTO" and name HG1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HD) (resid 59 and segid "CYTO" and name HD1)  1.8 0.0 3.7
assign (resid 1 and segid "HEME" and name HMC*) (resid 59 and segid "CYTO" and name HG2)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HC) (resid 61 and segid "CYTO" and name HE*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HC) (resid 61 and segid "CYTO" and name HZ)  1.8 0.0 0.9
assign (resid 1 and segid "HEME" and name HAB) (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 4.2
assign (resid 1 and segid "HEME" and name HMB*) (resid 73 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HB) (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 4.7
assign (resid 1 and segid "HEME" and name HMA*) (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMB*) (resid 77 and segid "CYTO" and name HB)  1.8 0.0 2.7
assign (resid 1 and segid "HEME" and name HMB*) (resid 77 and segid "CYTO" and name HG1*)  1.8 0.0 1.9
assign (resid 1 and segid "HEME" and name HMB*) (resid 77 and segid "CYTO" and name HG2*)  1.8 0.0 3.2
assign (resid 10 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HD*) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 3.2
assign (resid 10 and segid "CYTO" and name HE1) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 4.2
assign (resid 10 and segid "CYTO" and name HE2) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 4.2
assign (resid 13 and segid "CYTO" and name HB1) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 2.7
assign (resid 13 and segid "CYTO" and name HB2) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 2.7
assign (resid 13 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 4.2
assign (resid 14 and name HA and segid "CYTO") (resid 1 and name HBB* and segid "HEME")  1.8 0.0 4.2
assign (resid 14 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HAB)  1.8 0.0 2.2
assign (resid 14 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 1.4
assign (resid 14 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 4.2
assign (resid 17 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 2.7
assign (resid 18 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 4.2
assign (resid 26 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HAD2)  1.8 0.0 3.7
assign (resid 26 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 2.7
assign (resid 29 and name HE* and segid "CYTO") (resid 1 and name HBD2 and segid "HEME")1.8 0.0 4.7
assign (resid 31 and name HA and segid "CYTO") (resid 1 and name HMA* and segid "HEME")  1.8 0.0 3.7
assign (resid 47 and name HA and segid "CYTO")  (resid 1 and name HMA* and segid "HEME")  1.8 0.0 3.2
assign (resid 47 and name HN and segid "CYTO") (resid 1 and name HBA2 and segid "HEME")  1.8 0.0 3.7
assign (resid 47 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HBA2)  1.8 0.0 2.2
assign (resid 51 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 4.2
assign (resid 57 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 3.7
assign (resid 57 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HMD*)  1.8 0.0 4.2
assign (resid 58 and segid "CYTO" and name HA) (resid 1 and segid "HEME" and name HBD2)  1.8 0.0 3.2
assign (resid 58 and segid "CYTO" and name HE*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 3.2
assign (resid 58 and segid "CYTO" and name HE*) (resid 1 and segid "HEME" and name HMB*)  1.8 0.0 3.2
assign (resid 58 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HBD1)  1.8 0.0 3.7
assign (resid 58 and segid "CYTO" and name HN) (resid 1 and segid "HEME" and name HBD2)  1.8 0.0 3.7
assign (resid 61 and segid "CYTO" and name HD*) (resid 1 and segid "HEME" and name HAB)  1.8 0.0 4.2
assign (resid 61 and segid "CYTO" and name HD*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 3.2
assign (resid 61 and segid "CYTO" and name HD*) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 4.7
assign (resid 61 and segid "CYTO" and name HE*) (resid 1 and segid "HEME" and name HAB)  1.8 0.0 4.2
assign (resid 61 and segid "CYTO" and name HE*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 3.2
assign (resid 61 and segid "CYTO" and name HE*) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 3.2
assign (resid 61 and segid "CYTO" and name HZ) (resid 1 and segid "HEME" and name HAB)  1.8 0.0 2.2
assign (resid 61 and segid "CYTO" and name HZ) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 2.7
assign (resid 61 and segid "CYTO" and name HZ) (resid 1 and segid "HEME" and name HMC*)  1.8 0.0 1.4
assign (resid 73 and segid "CYTO" and name HG2*) (resid 1 and segid "HEME" and name HBB*)  1.8 0.0 3.2


!dihedral angle restraints for the phi angles

assign (resid 3 and name HN) (resid 3 and name N) (resid 3 and name CA) (resid 3 and name HA) 20 -132 30 2
assign (resid 4 and name HN) (resid 4 and name N) (resid 4 and name CA) (resid 4 and name HA) 20 -129 30 2
assign (resid 5 and name HN) (resid 5 and name N) (resid 5 and name CA) (resid 5 and name HA) 20 -123 30 2
assign (resid 7 and name HN) (resid 7 and name N) (resid 7 and name CA) (resid 7 and name HA) 20 -129 30 2
assign (resid 8 and name HN) (resid 8 and name N) (resid 8 and name CA) (resid 8 and name HA) 20 -138 30 2
assign (resid 9 and name HN) (resid 9 and name N) (resid 9 and name CA) (resid 9 and name HA) 20 -136 30 2
assign (resid 11 and name HN) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name HA)20 -132 30 2
assign (resid 35 and name HN) (resid 35 and name N) (resid 35 and name CA) (resid 35 and name HA) 20 -135 30 2
assign (resid 38 and name HN) (resid 38 and name N) (resid 38 and name CA) (resid 38 and name HA) 20 -121 30 2
assign (resid 39 and name HN) (resid 39 and name N) (resid 39 and name CA) (resid 39 and name HA) 20 180 30 2
assign (resid 43 and name HN) (resid 43 and name N) (resid 43 and name CA) (resid 43 and name HA) 20 -133 30 2
assign (resid 45 and name HN) (resid 45 and name N) (resid 45 and name CA) (resid 45 and name HA) 20 -112 30 2
assign (resid 46 and name HN) (resid 46 and name N) (resid 46 and name CA) (resid 46 and name HA) 20 -130 30 2
assign (resid 47 and name HN) (resid 47 and name N) (resid 47 and name CA) (resid 47 and name HA) 20 -131 30 2
assign (resid 58 and name HN) (resid 58 and name N) (resid 58 and name CA) (resid 58 and name HA) 20 180 30 2
assign (resid 64 and name HN) (resid 64 and name N) (resid 64 and name CA) (resid 64 and name HA) 20 -133 30 2
assign (resid 66 and name HN) (resid 66 and name N) (resid 66 and name CA) (resid 66 and name HA) 20 -129 30 2
assign (resid 68 and name HN) (resid 68 and name N) (resid 68 and name CA) (resid 68 and name HA) 20 -134 30 2
assign (resid 71 and name HN) (resid 71 and name N) (resid 71 and name CA) (resid 71 and name HA) 20 -127 30 2
assign (resid 72 and name HN) (resid 72 and name N) (resid 72 and name CA) (resid 72 and name HA) 20 -130 30 2
assign (resid 73 and name HN) (resid 73 and name N) (resid 73 and name CA) (resid 73 and name HA) 20 -133 30 2
assign (resid 74 and name HN) (resid 74 and name N) (resid 74 and name CA) (resid 74 and name HA) 20 -128 30 2
assign (resid 75 and name HN) (resid 75 and name N) (resid 75 and name CA) (resid 75 and name HA) 20 -123 30 2
assign (resid 78 and name HN) (resid 78 and name N) (resid 78 and name CA) (resid 78 and name HA) 20 -135 30 2
assign (resid 79 and name HN) (resid 79 and name N) (resid 79 and name CA) (resid 79 and name HA) 20 -126 30 2
assign (resid 80 and name HN) (resid 80 and name N) (resid 80 and name CA) (resid 80 and name HA) 20 -132 30 2
assign (resid 82 and name HN) (resid 82 and name N) (resid 82 and name CA) (resid 82 and name HA) 20 -117 30 2
assign (resid 85 and name HN) (resid 85 and name N) (resid 85 and name CA) (resid 85 and name HA) 20 -129 30 2


!hydrogen bond restraints

assign (resid 10 and name HN and segid "CYTO") (resid 6 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 10 and name N and segid "CYTO") (resid 6 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 18 and name HN and segid "CYTO") (resid 15 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 18 and name N and segid "CYTO") (resid 15 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 38 and name HN and segid "CYTO") (resid 35 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 38 and name N and segid "CYTO") (resid 35 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 47 and name HN and segid "CYTO") (resid 43 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 47 and name N and segid "CYTO") (resid 43 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 48 and name HN and segid "CYTO") (resid 44 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 48 and name N and segid "CYTO") (resid 44 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 49 and name HN and segid "CYTO") (resid 46 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 49 and name N and segid "CYTO") (resid 46 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 50 and name HN and segid "CYTO") (resid 46 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 50 and name N and segid "CYTO") (resid 46 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 51 and name HN and segid "CYTO") (resid 47 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 51 and name N and segid "CYTO") (resid 47 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 52 and name HN and segid "CYTO") (resid 48 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 52 and name N and segid "CYTO") (resid 48 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 61 and name HN and segid "CYTO") (resid 51 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 61 and name N and segid "CYTO") (resid 51 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 70 and name HN and segid "CYTO") (resid 67 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 70 and name N and segid "CYTO") (resid 67 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 71 and name HN and segid "CYTO") (resid 67 and name O and segid "CYTO") 2.4 0.0 0.6
assign (resid 71 and name N and segid "CYTO") (resid 67 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 72 and name HN and segid "CYTO") (resid 68 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 72 and name N and segid "CYTO") (resid 68 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 73 and name HN and segid "CYTO") (resid 69 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 73 and name N and segid "CYTO") (resid 69 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 74 and name HN and segid "CYTO") (resid 71 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 74 and name N and segid "CYTO") (resid 71 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 75 and name HN and segid "CYTO") (resid 71 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 75 and name N and segid "CYTO") (resid 71 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 76 and name HN and segid "CYTO") (resid 72 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 76 and name N and segid "CYTO") (resid 72 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 77 and name HN and segid "CYTO") (resid 73 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 77 and name N and segid "CYTO") (resid 73 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 77 and name HN and segid "CYTO") (resid 74 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 77 and name N and segid "CYTO") (resid 74 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 78 and name HN and segid "CYTO") (resid 74 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 78 and name N and segid "CYTO") (resid 74 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 78 and name HN and segid "CYTO") (resid 75 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 78 and name N and segid "CYTO") (resid 75 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 79 and name HN and segid "CYTO") (resid 76 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 79 and name N and segid "CYTO") (resid 76 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 80 and name HN and segid "CYTO") (resid 76 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 80 and name N and segid "CYTO") (resid 76 and name O and segid "CYTO") 2.4 0.0 0.9
assign (resid 81 and name HN and segid "CYTO") (resid 77 and name O and segid "CYTO") 1.7 0.0 0.6
assign (resid 81 and name N and segid "CYTO") (resid 77 and name O and segid "CYTO") 2.4 0.0 0.9



  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ALA   1           HT3      ALA   1  31.493   8.512   8.512
    2   2H    ALA   1           HT2      ALA   1  32.958   9.326   9.326
    3   3H    ALA   1           HT1      ALA   1  32.151   9.511   9.511
    4    HA   ALA   1           HA       ALA   1  30.759  11.061  11.061
    5   1HB   ALA   1           HB2      ALA   1  33.151  11.589  11.589
    6   2HB   ALA   1           HB1      ALA   1  32.500  11.141  11.141
    7   3HB   ALA   1           HB3      ALA   1  31.794  12.487  12.487
    8    H    ASP   2           HN       ASP   2  31.651   9.089   9.089
    9    HA   ASP   2           HA       ASP   2  28.738   9.019   9.019
   10   1HB   ASP   2           HB2      ASP   2  31.074   9.277   9.277
   11   2HB   ASP   2           HB1      ASP   2  29.398   9.018   9.018
   12    H    LEU   3           HN       LEU   3  31.799   7.313   7.313
   13    HA   LEU   3           HA       LEU   3  30.945   4.967   4.967
   14   1HB   LEU   3           HB2      LEU   3  32.948   4.870   4.870
   15   2HB   LEU   3           HB1      LEU   3  32.931   3.949   3.949
   16    HG   LEU   3           HG       LEU   3  33.009   6.755   6.755
   17   1HD1  LEU   3          HD12      LEU   3  34.390   6.089   6.089
   18   2HD1  LEU   3          HD11      LEU   3  35.592   6.394   6.394
   19   3HD1  LEU   3          HD13      LEU   3  34.389   7.625   7.625
   20   1HD2  LEU   3          HD21      LEU   3  33.963   4.405   4.405
   21   2HD2  LEU   3          HD23      LEU   3  34.511   5.997   5.997
   22   3HD2  LEU   3          HD22      LEU   3  35.437   5.098   5.098
   23    H    ALA   4           HN       ALA   4  29.814   6.236   6.236
   24    HA   ALA   4           HA       ALA   4  29.459   3.874   3.874
   25   1HB   ALA   4           HB2      ALA   4  28.801   6.545   6.545
   26   2HB   ALA   4           HB1      ALA   4  27.225   5.803   5.803
   27   3HB   ALA   4           HB3      ALA   4  28.244   5.246   5.246
   28    H    ASN   5           HN       ASN   5  27.972   5.304   5.304
   29    HA   ASN   5           HA       ASN   5  25.656   3.569   3.569
   30   1HB   ASN   5           HB2      ASN   5  26.914   5.725   5.725
   31   2HB   ASN   5           HB1      ASN   5  26.284   4.454   4.454
   32   1HD2  ASN   5          HD22      ASN   5  23.482   6.841   6.841
   33   2HD2  ASN   5          HD21      ASN   5  25.006   6.952   6.952
   34    H    GLY   6           HN       GLY   6  28.987   3.570   3.570
   35   1HA   GLY   6           HA2      GLY   6  28.936   1.479   1.479
   36   2HA   GLY   6           HA1      GLY   6  30.308   1.814   1.814
   37    H    ALA   7           HN       ALA   7  29.682   1.155   1.155
   38    HA   ALA   7           HA       ALA   7  29.514  -1.654  -1.654
   39   1HB   ALA   7           HB2      ALA   7  29.546   0.552   0.552
   40   2HB   ALA   7           HB1      ALA   7  28.530  -0.783  -0.783
   41   3HB   ALA   7           HB3      ALA   7  30.224  -1.074  -1.074
   42    H    LYS   8           HN       LYS   8  26.973   0.758   0.758
   43    HA   LYS   8           HA       LYS   8  24.864  -0.883  -0.883
   44   1HB   LYS   8           HB2      LYS   8  24.240   1.353   1.353
   45   2HB   LYS   8           HB1      LYS   8  25.032   1.619   1.619
   46   1HG   LYS   8           HG2      LYS   8  22.706  -0.261  -0.261
   47   2HG   LYS   8           HG1      LYS   8  22.371   1.464   1.464
   48   1HD   LYS   8           HD2      LYS   8  23.868   0.072   0.072
   49   2HD   LYS   8           HD1      LYS   8  22.297   0.860   0.860
   50   1HE   LYS   8           HE2      LYS   8  24.081   2.775   2.775
   51   2HE   LYS   8           HE1      LYS   8  24.915   2.017   2.017
   52   1HZ   LYS   8           HZ3      LYS   8  22.921   2.424   2.424
   53   2HZ   LYS   8           HZ2      LYS   8  22.218   3.256   3.256
   54   3HZ   LYS   8           HZ1      LYS   8  23.624   3.859   3.859
   55    H    VAL   9           HN       VAL   9  26.315  -0.471  -0.471
   56    HA   VAL   9           HA       VAL   9  24.353  -2.259  -2.259
   57    HB   VAL   9           HB       VAL   9  26.711  -0.635  -0.635
   58   1HG1  VAL   9          HG11      VAL   9  26.653  -2.940  -2.940
   59   2HG1  VAL   9          HG13      VAL   9  25.095  -2.450  -2.450
   60   3HG1  VAL   9          HG12      VAL   9  26.551  -1.540  -1.540
   61   1HG2  VAL   9          HG23      VAL   9  23.766  -0.545  -0.545
   62   2HG2  VAL   9          HG22      VAL   9  24.932   0.773   0.773
   63   3HG2  VAL   9          HG21      VAL   9  24.515  -0.180  -0.180
   64    H    PHE  10           HN       PHE  10  27.879  -2.306  -2.306
   65    HA   PHE  10           HA       PHE  10  28.264  -4.935  -4.935
   66   1HB   PHE  10           HB2      PHE  10  30.170  -3.452  -3.452
   67   2HB   PHE  10           HB1      PHE  10  29.803  -3.427  -3.427
   68    HD1  PHE  10           HD1      PHE  10  29.818  -5.571  -5.571
   69    HD2  PHE  10           HD2      PHE  10  31.453  -5.268  -5.268
   70    HE1  PHE  10           HE1      PHE  10  31.049  -7.668  -7.668
   71    HE2  PHE  10           HE2      PHE  10  32.682  -7.393  -7.393
   72    HZ   PHE  10           HZ       PHE  10  32.489  -8.593  -8.593
   73    H    SER  11           HN       SER  11  27.076  -3.741  -3.741
   74    HA   SER  11           HA       SER  11  27.242  -6.402  -6.402
   75   1HB   SER  11           HB2      SER  11  26.663  -5.331  -5.331
   76   2HB   SER  11           HB1      SER  11  27.604  -4.101  -4.101
   77    HG   SER  11           HG       SER  11  25.195  -3.840  -3.840
   78    H    GLY  12           HN       GLY  12  25.307  -5.343  -5.343
   79   1HA   GLY  12           HA2      GLY  12  23.001  -6.833  -6.833
   80   2HA   GLY  12           HA1      GLY  12  22.708  -5.223  -5.223
   81    H    ASN  13           HN       ASN  13  25.241  -6.591  -6.591
   82    HA   ASN  13           HA       ASN  13  23.598  -8.157  -8.157
   83   1HB   ASN  13           HB2      ASN  13  25.072  -5.808  -5.808
   84   2HB   ASN  13           HB1      ASN  13  23.721  -6.718  -6.718
   85   1HD2  ASN  13          HD22      ASN  13  22.981  -3.432  -3.432
   86   2HD2  ASN  13          HD21      ASN  13  24.542  -3.872  -3.872
   87    H    CYS  14           HN       CYS  14  26.681  -6.355  -6.355
   88    HA   CYS  14           HA       CYS  14  28.172  -8.313  -8.313
   89   1HB   CYS  14           HB2      CYS  14  29.305  -6.418  -6.418
   90   2HB   CYS  14           HB1      CYS  14  30.096  -7.036  -7.036
   91    H    ALA  15           HN       ALA  15  27.230  -8.046  -8.046
   92    HA   ALA  15           HA       ALA  15  29.202  -9.706  -9.706
   93   1HB   ALA  15           HB2      ALA  15  26.295  -9.333  -9.333
   94   2HB   ALA  15           HB1      ALA  15  27.546 -10.019 -10.019
   95   3HB   ALA  15           HB3      ALA  15  27.641  -8.329  -8.329
   96    H    ALA  16           HN       ALA  16  26.236 -10.501 -10.501
   97    HA   ALA  16           HA       ALA  16  26.052 -13.239 -13.239
   98   1HB   ALA  16           HB1      ALA  16  24.572 -11.580 -11.580
   99   2HB   ALA  16           HB3      ALA  16  25.323 -12.625 -12.625
  100   3HB   ALA  16           HB2      ALA  16  24.350 -13.328 -13.328
  101    H    CYS  17           HN       CYS  17  28.453 -11.681 -11.681
  102    HA   CYS  17           HA       CYS  17  29.487 -14.341 -14.341
  103   1HB   CYS  17           HB2      CYS  17  28.418 -12.439 -12.439
  104   2HB   CYS  17           HB1      CYS  17  30.172 -12.324 -12.324
  105    H    HIS  18           HN       HIS  18  30.148 -12.308 -12.308
  106    HA   HIS  18           HA       HIS  18  33.048 -12.354 -12.354
  107   1HB   HIS  18           HB2      HIS  18  31.468  -9.768  -9.768
  108   2HB   HIS  18           HB1      HIS  18  33.196  -9.857  -9.857
  109    HD1  HIS  18           HD1      HIS  18  34.796 -10.497 -10.497
  110    HD2  HIS  18           HD2      HIS  18  30.866  -9.933  -9.933
  111    HE1  HIS  18           HE1      HIS  18  34.848 -10.386 -10.386
  112    H    MET  19           HN       MET  19  30.860 -10.424 -10.424
  113    HA   MET  19           HA       MET  19  30.930 -10.063 -10.063
  114   1HB   MET  19           HB2      MET  19  30.520 -12.401 -12.401
  115   2HB   MET  19           HB1      MET  19  29.299 -11.716 -11.716
  116   1HG   MET  19           HG2      MET  19  30.154 -13.044 -13.044
  117   2HG   MET  19           HG1      MET  19  31.455 -13.675 -13.675
  118   1HE   MET  19           HE3      MET  19  31.435 -15.465 -15.465
  119   2HE   MET  19           HE2      MET  19  30.208 -16.729 -16.729
  120   3HE   MET  19           HE1      MET  19  30.984 -16.236 -16.236
  121    H    GLY  20           HN       GLY  20  32.885  -9.364  -9.364
  122   1HA   GLY  20           HA2      GLY  20  34.698  -9.727  -9.727
  123   2HA   GLY  20           HA1      GLY  20  34.669 -11.442 -11.442
  124    H    GLY  21           HN       GLY  21  34.638  -8.866  -8.866
  125   1HA   GLY  21           HA2      GLY  21  36.076  -8.570  -8.570
  126   2HA   GLY  21           HA1      GLY  21  37.302  -8.452  -8.452
  127    H    GLY  22           HN       GLY  22  35.385 -11.327 -11.327
  128   1HA   GLY  22           HA2      GLY  22  37.858 -12.633 -12.633
  129   2HA   GLY  22           HA1      GLY  22  36.863 -13.431 -13.431
  130    H    ASN  23           HN       ASN  23  37.346 -13.026 -13.026
  131    HA   ASN  23           HA       ASN  23  34.864 -13.153 -13.153
  132   1HB   ASN  23           HB2      ASN  23  37.460 -13.712 -13.712
  133   2HB   ASN  23           HB1      ASN  23  36.634 -15.259 -15.259
  134   1HD2  ASN  23          HD22      ASN  23  35.385 -12.020 -12.020
  135   2HD2  ASN  23          HD21      ASN  23  36.216 -11.754 -11.754
  136    H    VAL  24           HN       VAL  24  33.234 -14.699 -14.699
  137    HA   VAL  24           HA       VAL  24  33.500 -17.082 -17.082
  138    HB   VAL  24           HB       VAL  24  31.104 -15.585 -15.585
  139   1HG1  VAL  24          HG11      VAL  24  31.410 -18.323 -18.323
  140   2HG1  VAL  24          HG13      VAL  24  30.158 -17.365 -17.365
  141   3HG1  VAL  24          HG12      VAL  24  30.101 -17.624 -17.624
  142   1HG2  VAL  24          HG22      VAL  24  32.451 -14.663 -14.663
  143   2HG2  VAL  24          HG21      VAL  24  30.771 -15.031 -15.031
  144   3HG2  VAL  24          HG23      VAL  24  32.056 -16.135 -16.135
  145    H    VAL  25           HN       VAL  25  33.786 -16.293 -16.293
  146    HA   VAL  25           HA       VAL  25  32.628 -18.909 -18.909
  147    HB   VAL  25           HB       VAL  25  33.060 -16.367 -16.367
  148   1HG1  VAL  25          HG13      VAL  25  33.379 -18.624 -18.624
  149   2HG1  VAL  25          HG12      VAL  25  31.662 -18.895 -18.895
  150   3HG1  VAL  25          HG11      VAL  25  32.181 -17.532 -17.532
  151   1HG2  VAL  25          HG21      VAL  25  31.096 -16.631 -16.631
  152   2HG2  VAL  25          HG23      VAL  25  30.743 -16.037 -16.037
  153   3HG2  VAL  25          HG22      VAL  25  30.423 -17.722 -17.722
  154    H    MET  26           HN       MET  26  35.247 -16.578 -16.578
  155    HA   MET  26           HA       MET  26  36.817 -18.746 -18.746
  156   1HB   MET  26           HB2      MET  26  36.977 -15.775 -15.775
  157   2HB   MET  26           HB1      MET  26  38.502 -16.651 -16.651
  158   1HG   MET  26           HG2      MET  26  36.174 -17.410 -17.410
  159   2HG   MET  26           HG1      MET  26  37.113 -15.972 -15.972
  160   1HE   MET  26           HE1      MET  26  37.029 -17.890 -17.890
  161   2HE   MET  26           HE3      MET  26  38.188 -16.554 -16.554
  162   3HE   MET  26           HE2      MET  26  38.717 -18.174 -18.174
  163    H    ALA  27           HN       ALA  27  39.286 -18.631 -18.631
  164    HA   ALA  27           HA       ALA  27  39.432 -18.594 -18.594
  165   1HB   ALA  27           HB1      ALA  27  40.048 -20.698 -20.698
  166   2HB   ALA  27           HB3      ALA  27  41.454 -20.300 -20.300
  167   3HB   ALA  27           HB2      ALA  27  39.945 -20.789 -20.789
  168    H    ASN  28           HN       ASN  28  40.007 -16.289 -16.289
  169    HA   ASN  28           HA       ASN  28  42.647 -15.688 -15.688
  170   1HB   ASN  28           HB2      ASN  28  43.457 -15.191 -15.191
  171   2HB   ASN  28           HB1      ASN  28  43.610 -16.829 -16.829
  172   1HD2  ASN  28          HD22      ASN  28  41.255 -16.186 -16.186
  173   2HD2  ASN  28          HD21      ASN  28  42.273 -14.980 -14.980
  174    H    LYS  29           HN       LYS  29  40.616 -14.758 -14.758
  175    HA   LYS  29           HA       LYS  29  40.989 -11.963 -11.963
  176   1HB   LYS  29           HB2      LYS  29  39.259 -13.745 -13.745
  177   2HB   LYS  29           HB1      LYS  29  38.315 -12.390 -12.390
  178   1HG   LYS  29           HG2      LYS  29  39.633 -10.804 -10.804
  179   2HG   LYS  29           HG1      LYS  29  40.969 -11.936 -11.936
  180   1HD   LYS  29           HD2      LYS  29  38.403 -12.789 -12.789
  181   2HD   LYS  29           HD1      LYS  29  39.139 -11.371 -11.371
  182   1HE   LYS  29           HE2      LYS  29  40.866 -12.575 -12.575
  183   2HE   LYS  29           HE1      LYS  29  41.035 -13.549 -13.549
  184   1HZ   LYS  29           HZ1      LYS  29  38.907 -14.668 -14.668
  185   2HZ   LYS  29           HZ3      LYS  29  39.129 -13.920 -13.920
  186   3HZ   LYS  29           HZ2      LYS  29  40.293 -15.013 -15.013
  187    H    THR  30           HN       THR  30  40.847 -11.237 -11.237
  188    HA   THR  30           HA       THR  30  38.249 -11.715 -11.715
  189    HB   THR  30           HB       THR  30  40.514 -12.434 -12.434
  190    HG1  THR  30           HG1      THR  30  39.436 -12.364 -12.364
  191   1HG2  THR  30          HG21      THR  30  41.668 -10.292 -10.292
  192   2HG2  THR  30          HG23      THR  30  40.589  -9.467  -9.467
  193   3HG2  THR  30          HG22      THR  30  41.719 -10.683 -10.683
  194    H    LEU  31           HN       LEU  31  38.307  -9.683  -9.683
  195    HA   LEU  31           HA       LEU  31  38.001  -7.268  -7.268
  196   1HB   LEU  31           HB2      LEU  31  36.593  -8.312  -8.312
  197   2HB   LEU  31           HB1      LEU  31  36.700  -6.562  -6.562
  198    HG   LEU  31           HG       LEU  31  34.746  -8.175  -8.175
  199   1HD1  LEU  31          HD13      LEU  31  35.219  -5.526  -5.526
  200   2HD1  LEU  31          HD12      LEU  31  35.404  -5.733  -5.733
  201   3HD1  LEU  31          HD11      LEU  31  33.897  -6.204  -6.204
  202   1HD2  LEU  31          HD21      LEU  31  36.459  -9.086  -9.086
  203   2HD2  LEU  31          HD23      LEU  31  35.074  -8.307  -8.307
  204   3HD2  LEU  31          HD22      LEU  31  36.608  -7.457  -7.457
  205    H    LYS  32           HN       LYS  32  39.617  -8.547  -8.547
  206    HA   LYS  32           HA       LYS  32  40.341  -6.286  -6.286
  207   1HB   LYS  32           HB2      LYS  32  41.875  -8.781  -8.781
  208   2HB   LYS  32           HB1      LYS  32  42.662  -7.491  -7.491
  209   1HG   LYS  32           HG2      LYS  32  41.490  -7.965  -7.965
  210   2HG   LYS  32           HG1      LYS  32  39.974  -8.115  -8.115
  211   1HD   LYS  32           HD2      LYS  32  40.433 -10.288 -10.288
  212   2HD   LYS  32           HD1      LYS  32  40.829 -10.374 -10.374
  213   1HE   LYS  32           HE2      LYS  32  43.224  -9.611  -9.611
  214   2HE   LYS  32           HE1      LYS  32  42.650 -10.376 -10.376
  215   1HZ   LYS  32           HZ2      LYS  32  42.171 -11.874 -11.874
  216   2HZ   LYS  32           HZ1      LYS  32  43.808 -11.691 -11.691
  217   3HZ   LYS  32           HZ3      LYS  32  42.733 -12.405 -12.405
  218    H    LYS  33           HN       LYS  33  43.000  -7.475  -7.475
  219    HA   LYS  33           HA       LYS  33  43.009  -5.321  -5.321
  220   1HB   LYS  33           HB2      LYS  33  43.416  -3.686  -3.686
  221   2HB   LYS  33           HB1      LYS  33  44.238  -4.795  -4.795
  222   1HG   LYS  33           HG2      LYS  33  46.183  -4.845  -4.845
  223   2HG   LYS  33           HG1      LYS  33  45.365  -3.611  -3.611
  224   1HD   LYS  33           HD2      LYS  33  46.784  -2.347  -2.347
  225   2HD   LYS  33           HD1      LYS  33  45.235  -2.274  -2.274
  226   1HE   LYS  33           HE2      LYS  33  45.901  -3.950  -3.950
  227   2HE   LYS  33           HE1      LYS  33  47.307  -4.395  -4.395
  228   1HZ   LYS  33           HZ3      LYS  33  48.157  -2.116  -2.116
  229   2HZ   LYS  33           HZ2      LYS  33  46.868  -1.847  -1.847
  230   3HZ   LYS  33           HZ1      LYS  33  48.031  -3.037  -3.037
  231    H    GLU  34           HN       GLU  34  44.817  -7.765  -7.765
  232    HA   GLU  34           HA       GLU  34  47.208  -7.583  -7.583
  233   1HB   GLU  34           HB2      GLU  34  46.186 -10.122 -10.122
  234   2HB   GLU  34           HB1      GLU  34  47.855  -9.597  -9.597
  235   1HG   GLU  34           HG2      GLU  34  46.409  -7.608  -7.608
  236   2HG   GLU  34           HG1      GLU  34  46.185  -9.191  -9.191
  237    H    ALA  35           HN       ALA  35  44.501  -9.906  -9.906
  238    HA   ALA  35           HA       ALA  35  45.555 -10.990 -10.990
  239   1HB   ALA  35           HB3      ALA  35  43.756 -11.890 -11.890
  240   2HB   ALA  35           HB2      ALA  35  42.697 -11.436 -11.436
  241   3HB   ALA  35           HB1      ALA  35  43.989 -12.608 -12.608
  242    H    LEU  36           HN       LEU  36  42.700  -8.968  -8.968
  243    HA   LEU  36           HA       LEU  36  41.905  -8.609  -8.609
  244   1HB   LEU  36           HB2      LEU  36  40.734  -6.567  -6.567
  245   2HB   LEU  36           HB1      LEU  36  40.426  -7.967  -7.967
  246    HG   LEU  36           HG       LEU  36  42.764  -6.254  -6.254
  247   1HD1  LEU  36          HD12      LEU  36  39.867  -5.480  -5.480
  248   2HD1  LEU  36          HD11      LEU  36  41.225  -4.756  -4.756
  249   3HD1  LEU  36          HD13      LEU  36  41.083  -4.559  -4.559
  250   1HD2  LEU  36          HD23      LEU  36  41.104  -8.295  -8.295
  251   2HD2  LEU  36          HD22      LEU  36  42.609  -7.614  -7.614
  252   3HD2  LEU  36          HD21      LEU  36  41.069  -6.855  -6.855
  253    H    GLU  37           HN       GLU  37  44.521  -7.249  -7.249
  254    HA   GLU  37           HA       GLU  37  45.073  -5.396  -5.396
  255   1HB   GLU  37           HB2      GLU  37  44.847  -4.604  -4.604
  256   2HB   GLU  37           HB1      GLU  37  46.526  -5.146  -5.146
  257   1HG   GLU  37           HG2      GLU  37  45.853  -3.578  -3.578
  258   2HG   GLU  37           HG1      GLU  37  45.729  -2.671  -2.671
  259    H    GLN  38           HN       GLN  38  45.916  -8.356  -8.356
  260    HA   GLN  38           HA       GLN  38  48.766  -8.349  -8.349
  261   1HB   GLN  38           HB2      GLN  38  47.963 -10.271 -10.271
  262   2HB   GLN  38           HB1      GLN  38  46.579 -10.402 -10.402
  263   1HG   GLN  38           HG2      GLN  38  48.356 -12.160 -12.160
  264   2HG   GLN  38           HG1      GLN  38  47.958 -11.218 -11.218
  265   1HE2  GLN  38          HE22      GLN  38  51.270  -9.628  -9.628
  266   2HE2  GLN  38          HE21      GLN  38  49.789  -9.684  -9.684
  267    H    PHE  39           HN       PHE  39  46.147  -9.136  -9.136
  268    HA   PHE  39           HA       PHE  39  47.997  -9.334  -9.334
  269   1HB   PHE  39           HB2      PHE  39  45.624  -9.513  -9.513
  270   2HB   PHE  39           HB1      PHE  39  46.366 -10.873 -10.873
  271    HD1  PHE  39           HD1      PHE  39  44.262  -7.913  -7.913
  272    HD2  PHE  39           HD2      PHE  39  44.990 -12.130 -12.130
  273    HE1  PHE  39           HE1      PHE  39  42.308  -8.118  -8.118
  274    HE2  PHE  39           HE2      PHE  39  43.033 -12.329 -12.329
  275    HZ   PHE  39           HZ       PHE  39  41.693 -10.322 -10.322
  276    H    GLY  40           HN       GLY  40  45.693  -7.083  -7.083
  277   1HA   GLY  40           HA2      GLY  40  46.326  -4.682  -4.682
  278   2HA   GLY  40           HA1      GLY  40  46.501  -5.170  -5.170
  279    H    MET  41           HN       MET  41  44.322  -4.054  -4.054
  280    HA   MET  41           HA       MET  41  42.364  -3.019  -3.019
  281   1HB   MET  41           HB2      MET  41  40.567  -4.847  -4.847
  282   2HB   MET  41           HB1      MET  41  41.868  -5.028  -5.028
  283   1HG   MET  41           HG2      MET  41  42.958  -6.309  -6.309
  284   2HG   MET  41           HG1      MET  41  41.245  -6.639  -6.639
  285   1HE   MET  41           HE3      MET  41  39.856  -6.616  -6.616
  286   2HE   MET  41           HE2      MET  41  40.867  -6.310  -6.310
  287   3HE   MET  41           HE1      MET  41  40.112  -7.888  -7.888
  288    H    TYR  42           HN       TYR  42  43.450  -3.033  -3.033
  289    HA   TYR  42           HA       TYR  42  40.997  -3.423  -3.423
  290   1HB   TYR  42           HB2      TYR  42  42.909  -4.367  -4.367
  291   2HB   TYR  42           HB1      TYR  42  43.925  -3.002  -3.002
  292    HD1  TYR  42           HD1      TYR  42  40.533  -2.863  -2.863
  293    HD2  TYR  42           HD2      TYR  42  44.759  -2.275  -2.275
  294    HE1  TYR  42           HE1      TYR  42  40.131  -1.793  -1.793
  295    HE2  TYR  42           HE2      TYR  42  44.356  -1.202  -1.202
  296    HH   TYR  42           HH       TYR  42  42.746  -1.003  -1.003
  297    H    SER  43           HN       SER  43  41.372  -1.291  -1.291
  298    HA   SER  43           HA       SER  43  41.421   1.146   1.146
  299   1HB   SER  43           HB2      SER  43  42.097   2.351   2.351
  300   2HB   SER  43           HB1      SER  43  42.845   0.782   0.782
  301    HG   SER  43           HG       SER  43  41.536   1.813   1.813
  302    H    GLU  44           HN       GLU  44  39.747   2.771   2.771
  303    HA   GLU  44           HA       GLU  44  37.103   1.936   1.936
  304   1HB   GLU  44           HB2      GLU  44  38.496   4.439   4.439
  305   2HB   GLU  44           HB1      GLU  44  37.066   4.396   4.396
  306   1HG   GLU  44           HG2      GLU  44  36.149   3.305   3.305
  307   2HG   GLU  44           HG1      GLU  44  37.255   4.566   4.566
  308    H    ASP  45           HN       ASP  45  38.580   3.357   3.357
  309    HA   ASP  45           HA       ASP  45  36.499   2.656   2.656
  310   1HB   ASP  45           HB2      ASP  45  38.532   4.119   4.119
  311   2HB   ASP  45           HB1      ASP  45  39.365   2.611   2.611
  312    H    ALA  46           HN       ALA  46  39.069   0.641   0.641
  313    HA   ALA  46           HA       ALA  46  38.837  -1.498  -1.498
  314   1HB   ALA  46           HB1      ALA  46  40.746  -1.226  -1.226
  315   2HB   ALA  46           HB3      ALA  46  39.676  -1.661  -1.661
  316   3HB   ALA  46           HB2      ALA  46  40.036  -2.839  -2.839
  317    H    ILE  47           HN       ILE  47  37.899  -1.831  -1.831
  318    HA   ILE  47           HA       ILE  47  36.039  -3.914  -3.914
  319    HB   ILE  47           HB       ILE  47  37.063  -3.364  -3.364
  320   1HG1  ILE  47          HG12      ILE  47  34.037  -3.189  -3.189
  321   2HG1  ILE  47          HG11      ILE  47  34.987  -4.672  -4.672
  322   1HG2  ILE  47          HG23      ILE  47  36.128  -0.777  -0.777
  323   2HG2  ILE  47          HG22      ILE  47  35.224  -1.308  -1.308
  324   3HG2  ILE  47          HG21      ILE  47  36.986  -1.286  -1.286
  325   1HD1  ILE  47          HD11      ILE  47  36.047  -3.790  -3.790
  326   2HD1  ILE  47          HD13      ILE  47  34.883  -2.469  -2.469
  327   3HD1  ILE  47          HD12      ILE  47  34.321  -4.124  -4.124
  328    H    ILE  48           HN       ILE  48  35.760  -0.514  -0.514
  329    HA   ILE  48           HA       ILE  48  32.919  -0.242  -0.242
  330    HB   ILE  48           HB       ILE  48  35.074   1.347   1.347
  331   1HG1  ILE  48          HG12      ILE  48  33.035   2.207   2.207
  332   2HG1  ILE  48          HG11      ILE  48  34.555   1.432   1.432
  333   1HG2  ILE  48          HG22      ILE  48  32.113   1.551   1.551
  334   2HG2  ILE  48          HG21      ILE  48  33.072   3.028   3.028
  335   3HG2  ILE  48          HG23      ILE  48  33.403   1.825   1.825
  336   1HD1  ILE  48          HD12      ILE  48  35.414   3.349   3.349
  337   2HD1  ILE  48          HD11      ILE  48  34.055   4.163   4.163
  338   3HD1  ILE  48          HD13      ILE  48  35.389   3.548   3.548
  339    H    TYR  49           HN       TYR  49  35.032  -1.224  -1.224
  340    HA   TYR  49           HA       TYR  49  32.753  -1.513  -1.513
  341   1HB   TYR  49           HB2      TYR  49  34.941  -0.785  -0.785
  342   2HB   TYR  49           HB1      TYR  49  35.678  -2.274  -2.274
  343    HD1  TYR  49           HD1      TYR  49  34.828  -4.499  -4.499
  344    HD2  TYR  49           HD2      TYR  49  33.728  -0.743  -0.743
  345    HE1  TYR  49           HE1      TYR  49  34.078  -5.679  -5.679
  346    HE2  TYR  49           HE2      TYR  49  32.977  -1.920  -1.920
  347    HH   TYR  49           HH       TYR  49  32.252  -5.009  -5.009
  348    H    GLN  50           HN       GLN  50  34.455  -3.315  -3.315
  349    HA   GLN  50           HA       GLN  50  33.556  -5.907  -5.907
  350   1HB   GLN  50           HB2      GLN  50  35.606  -6.327  -6.327
  351   2HB   GLN  50           HB1      GLN  50  35.484  -4.979  -4.979
  352   1HG   GLN  50           HG2      GLN  50  35.395  -6.769  -6.769
  353   2HG   GLN  50           HG1      GLN  50  33.678  -6.538  -6.538
  354   1HE2  GLN  50          HE22      GLN  50  35.473  -9.566  -9.566
  355   2HE2  GLN  50          HE21      GLN  50  36.299  -8.099  -8.099
  356    H    VAL  51           HN       VAL  51  32.227  -3.377  -3.377
  357    HA   VAL  51           HA       VAL  51  30.418  -5.070  -5.070
  358    HB   VAL  51           HB       VAL  51  31.037  -2.108  -2.108
  359   1HG1  VAL  51          HG11      VAL  51  28.990  -3.776  -3.776
  360   2HG1  VAL  51          HG13      VAL  51  29.568  -2.236  -2.236
  361   3HG1  VAL  51          HG12      VAL  51  28.732  -2.294  -2.294
  362   1HG2  VAL  51          HG21      VAL  51  32.529  -4.083  -4.083
  363   2HG2  VAL  51          HG23      VAL  51  32.316  -2.538  -2.538
  364   3HG2  VAL  51          HG22      VAL  51  31.342  -3.930  -3.930
  365    H    GLN  52           HN       GLN  52  30.503  -2.490  -2.490
  366    HA   GLN  52           HA       GLN  52  27.647  -2.197  -2.197
  367   1HB   GLN  52           HB2      GLN  52  29.969  -1.030  -1.030
  368   2HB   GLN  52           HB1      GLN  52  28.924  -1.546  -1.546
  369   1HG   GLN  52           HG2      GLN  52  27.277  -0.048  -0.048
  370   2HG   GLN  52           HG1      GLN  52  27.575  -0.194  -0.194
  371   1HE2  GLN  52          HE22      GLN  52  30.516   2.089   2.089
  372   2HE2  GLN  52          HE21      GLN  52  30.292   0.481   0.481
  373    H    HIS  53           HN       HIS  53  29.718  -4.683  -4.683
  374    HA   HIS  53           HA       HIS  53  27.682  -5.939  -5.939
  375   1HB   HIS  53           HB2      HIS  53  29.975  -6.188  -6.188
  376   2HB   HIS  53           HB1      HIS  53  28.457  -5.408  -5.408
  377    HD1  HIS  53           HD1      HIS  53  29.577  -3.632  -3.632
  378    HD2  HIS  53           HD2      HIS  53  30.780  -3.505  -3.505
  379    HE1  HIS  53           HE1      HIS  53  30.783  -1.433  -1.433
  380    H    GLY  54           HN       GLY  54  29.295  -6.263  -6.263
  381   1HA   GLY  54           HA2      GLY  54  30.627  -7.919  -7.919
  382   2HA   GLY  54           HA1      GLY  54  29.660  -8.995  -8.995
  383    H    LYS  55           HN       LYS  55  31.054 -10.312 -10.312
  384    HA   LYS  55           HA       LYS  55  32.581  -9.941  -9.941
  385   1HB   LYS  55           HB2      LYS  55  33.926  -8.739  -8.739
  386   2HB   LYS  55           HB1      LYS  55  34.917  -9.998  -9.998
  387   1HG   LYS  55           HG2      LYS  55  35.055  -8.914  -8.914
  388   2HG   LYS  55           HG1      LYS  55  33.482  -8.135  -8.135
  389   1HD   LYS  55           HD2      LYS  55  34.379  -6.310  -6.310
  390   2HD   LYS  55           HD1      LYS  55  35.428  -7.281  -7.281
  391   1HE   LYS  55           HE2      LYS  55  36.632  -7.714  -7.714
  392   2HE   LYS  55           HE1      LYS  55  35.981  -6.101  -6.101
  393   1HZ   LYS  55           HZ1      LYS  55  37.044  -5.347  -5.347
  394   2HZ   LYS  55           HZ3      LYS  55  37.671  -6.898  -6.898
  395   3HZ   LYS  55           HZ2      LYS  55  38.191  -5.999  -5.999
  396    H    ASN  56           HN       ASN  56  32.956 -11.933 -11.933
  397    HA   ASN  56           HA       ASN  56  33.436 -14.216 -14.216
  398   1HB   ASN  56           HB2      ASN  56  34.466 -13.697 -13.697
  399   2HB   ASN  56           HB1      ASN  56  34.700 -15.188 -15.188
  400   1HD2  ASN  56          HD22      ASN  56  36.907 -11.876 -11.876
  401   2HD2  ASN  56          HD21      ASN  56  35.615 -11.756 -11.756
  402    H    ALA  57           HN       ALA  57  32.706 -14.032 -14.032
  403    HA   ALA  57           HA       ALA  57  30.110 -15.379 -15.379
  404   1HB   ALA  57           HB2      ALA  57  32.344 -16.236 -16.236
  405   2HB   ALA  57           HB1      ALA  57  30.723 -16.426 -16.426
  406   3HB   ALA  57           HB3      ALA  57  31.145 -17.207 -17.207
  407    H    MET  58           HN       MET  58  31.204 -12.543 -12.543
  408    HA   MET  58           HA       MET  58  29.560 -12.432 -12.432
  409   1HB   MET  58           HB2      MET  58  31.565 -11.291 -11.291
  410   2HB   MET  58           HB1      MET  58  31.537 -10.535 -10.535
  411   1HG   MET  58           HG2      MET  58  29.551  -9.194  -9.194
  412   2HG   MET  58           HG1      MET  58  29.682  -9.927  -9.927
  413   1HE   MET  58           HE2      MET  58  29.621  -7.537  -7.537
  414   2HE   MET  58           HE1      MET  58  30.812  -6.282  -6.282
  415   3HE   MET  58           HE3      MET  58  29.686  -6.803  -6.803
  416    HA   PRO  59           HA       PRO  59  26.109 -10.836 -10.836
  417   1HB   PRO  59           HB2      PRO  59  24.755  -9.866  -9.866
  418   2HB   PRO  59           HB1      PRO  59  24.771 -11.569 -11.569
  419   1HG   PRO  59           HG2      PRO  59  26.217 -10.197 -10.197
  420   2HG   PRO  59           HG1      PRO  59  25.689 -11.880 -11.880
  421   1HD   PRO  59           HD2      PRO  59  28.310 -10.984 -10.984
  422   2HD   PRO  59           HD1      PRO  59  27.684 -12.549 -12.549
  423    H    ALA  60           HN       ALA  60  26.243  -8.996  -8.996
  424    HA   ALA  60           HA       ALA  60  27.468  -6.591  -6.591
  425   1HB   ALA  60           HB1      ALA  60  26.210  -7.217  -7.217
  426   2HB   ALA  60           HB3      ALA  60  24.702  -6.923  -6.923
  427   3HB   ALA  60           HB2      ALA  60  25.814  -5.590  -5.590
  428    H    PHE  61           HN       PHE  61  26.489  -4.463  -4.463
  429    HA   PHE  61           HA       PHE  61  24.259  -4.563  -4.563
  430   1HB   PHE  61           HB2      PHE  61  27.073  -3.805  -3.805
  431   2HB   PHE  61           HB1      PHE  61  25.694  -3.147  -3.147
  432    HD1  PHE  61           HD1      PHE  61  24.089  -4.677  -4.677
  433    HD2  PHE  61           HD2      PHE  61  27.754  -6.092  -6.092
  434    HE1  PHE  61           HE1      PHE  61  23.899  -6.776  -6.776
  435    HE2  PHE  61           HE2      PHE  61  27.573  -8.184  -8.184
  436    HZ   PHE  61           HZ       PHE  61  25.645  -8.528  -8.528
  437    H    ALA  62           HN       ALA  62  25.296  -3.335  -3.335
  438    HA   ALA  62           HA       ALA  62  25.555  -0.561  -0.561
  439   1HB   ALA  62           HB2      ALA  62  25.135  -2.419  -2.419
  440   2HB   ALA  62           HB1      ALA  62  23.873  -1.197  -1.197
  441   3HB   ALA  62           HB3      ALA  62  25.570  -0.716  -0.716
  442    H    GLY  63           HN       GLY  63  22.818  -2.550  -2.550
  443   1HA   GLY  63           HA2      GLY  63  21.335  -0.226  -0.226
  444   2HA   GLY  63           HA1      GLY  63  20.599  -1.005  -1.005
  445    H    ARG  64           HN       ARG  64  22.474  -2.726  -2.726
  446    HA   ARG  64           HA       ARG  64  20.023  -4.196  -4.196
  447   1HB   ARG  64           HB2      ARG  64  22.515  -5.146  -5.146
  448   2HB   ARG  64           HB1      ARG  64  22.597  -5.156  -5.156
  449   1HG   ARG  64           HG2      ARG  64  20.554  -6.529  -6.529
  450   2HG   ARG  64           HG1      ARG  64  21.700  -7.285  -7.285
  451   1HD   ARG  64           HD2      ARG  64  20.543  -6.508  -6.508
  452   2HD   ARG  64           HD1      ARG  64  19.658  -5.298  -5.298
  453    HE   ARG  64           HE       ARG  64  18.183  -7.030  -7.030
  454   1HH1  ARG  64          HH11      ARG  64  20.142  -9.257  -9.257
  455   2HH1  ARG  64          HH12      ARG  64  19.699 -10.315 -10.315
  456   1HH2  ARG  64          HH21      ARG  64  17.851  -7.914  -7.914
  457   2HH2  ARG  64          HH22      ARG  64  18.400  -9.557  -9.557
  458    H    LEU  65           HN       LEU  65  22.848  -2.443  -2.443
  459    HA   LEU  65           HA       LEU  65  21.866  -2.315  -2.315
  460   1HB   LEU  65           HB2      LEU  65  24.055  -0.638  -0.638
  461   2HB   LEU  65           HB1      LEU  65  23.839  -1.114  -1.114
  462    HG   LEU  65           HG       LEU  65  24.527  -2.953  -2.953
  463   1HD1  LEU  65          HD12      LEU  65  26.098  -1.356  -1.356
  464   2HD1  LEU  65          HD11      LEU  65  26.381  -3.060  -3.060
  465   3HD1  LEU  65          HD13      LEU  65  26.654  -2.438  -2.438
  466   1HD2  LEU  65          HD21      LEU  65  23.793  -3.427  -3.427
  467   2HD2  LEU  65          HD23      LEU  65  23.226  -4.279  -4.279
  468   3HD2  LEU  65          HD22      LEU  65  24.865  -4.548  -4.548
  469    H    THR  66           HN       THR  66  22.833   0.560   0.560
  470    HA   THR  66           HA       THR  66  20.219   1.717   1.717
  471    HB   THR  66           HB       THR  66  22.420   2.694   2.694
  472    HG1  THR  66           HG1      THR  66  19.681   2.558   2.558
  473   1HG2  THR  66          HG21      THR  66  20.576   4.247   4.247
  474   2HG2  THR  66          HG23      THR  66  20.238   4.463   4.463
  475   3HG2  THR  66          HG22      THR  66  21.849   4.805   4.805
  476    H    ASP  67           HN       ASP  67  23.656   2.644   2.644
  477    HA   ASP  67           HA       ASP  67  24.189   3.073   3.073
  478   1HB   ASP  67           HB2      ASP  67  22.213   4.343   4.343
  479   2HB   ASP  67           HB1      ASP  67  22.392   5.298   5.298
  480    H    GLU  68           HN       GLU  68  23.860   5.235   5.235
  481    HA   GLU  68           HA       GLU  68  26.541   6.339   6.339
  482   1HB   GLU  68           HB2      GLU  68  24.526   6.208   6.208
  483   2HB   GLU  68           HB1      GLU  68  26.007   7.175   7.175
  484   1HG   GLU  68           HG2      GLU  68  25.050   8.084   8.084
  485   2HG   GLU  68           HG1      GLU  68  23.515   7.559   7.559
  486    H    GLN  69           HN       GLN  69  25.558   3.293   3.293
  487    HA   GLN  69           HA       GLN  69  27.684   2.734   2.734
  488   1HB   GLN  69           HB2      GLN  69  25.821   0.578   0.578
  489   2HB   GLN  69           HB1      GLN  69  26.303   1.365   1.365
  490   1HG   GLN  69           HG2      GLN  69  24.214   2.375   2.375
  491   2HG   GLN  69           HG1      GLN  69  23.885   1.659   1.659
  492   1HE2  GLN  69          HE22      GLN  69  25.941   4.863   4.863
  493   2HE2  GLN  69          HE21      GLN  69  26.626   3.357   3.357
  494    H    ILE  70           HN       ILE  70  26.347   2.074   2.074
  495    HA   ILE  70           HA       ILE  70  28.031  -0.202  -0.202
  496    HB   ILE  70           HB       ILE  70  27.284   2.062   2.062
  497   1HG1  ILE  70          HG12      ILE  70  25.189   1.355   1.355
  498   2HG1  ILE  70          HG11      ILE  70  25.391   0.409   0.409
  499   1HG2  ILE  70          HG22      ILE  70  28.781  -0.354  -0.354
  500   2HG2  ILE  70          HG21      ILE  70  27.274  -0.540  -0.540
  501   3HG2  ILE  70          HG23      ILE  70  28.349   0.813   0.813
  502   1HD1  ILE  70          HD11      ILE  70  26.394  -1.423  -1.423
  503   2HD1  ILE  70          HD13      ILE  70  25.880  -0.493  -0.493
  504   3HD1  ILE  70          HD12      ILE  70  24.678  -1.118  -1.118
  505    H    GLN  71           HN       GLN  71  28.392   3.131   3.131
  506    HA   GLN  71           HA       GLN  71  31.145   3.374   3.374
  507   1HB   GLN  71           HB2      GLN  71  28.984   5.171   5.171
  508   2HB   GLN  71           HB1      GLN  71  30.637   5.744   5.744
  509   1HG   GLN  71           HG2      GLN  71  29.988   4.440   4.440
  510   2HG   GLN  71           HG1      GLN  71  28.648   5.517   5.517
  511   1HE2  GLN  71          HE22      GLN  71  31.200   8.289   8.289
  512   2HE2  GLN  71          HE21      GLN  71  30.217   7.493   7.493
  513    H    ASP  72           HN       ASP  72  29.365   4.383   4.383
  514    HA   ASP  72           HA       ASP  72  31.465   4.684   4.684
  515   1HB   ASP  72           HB2      ASP  72  29.256   5.521   5.521
  516   2HB   ASP  72           HB1      ASP  72  28.581   3.892   3.892
  517    H    VAL  73           HN       VAL  73  29.593   1.760   1.760
  518    HA   VAL  73           HA       VAL  73  30.660   0.097   0.097
  519    HB   VAL  73           HB       VAL  73  28.700  -0.303  -0.303
  520   1HG1  VAL  73          HG11      VAL  73  30.743  -0.366  -0.366
  521   2HG1  VAL  73          HG13      VAL  73  30.595  -2.081  -2.081
  522   3HG1  VAL  73          HG12      VAL  73  29.203  -1.193  -1.193
  523   1HG2  VAL  73          HG22      VAL  73  30.597  -2.441  -2.441
  524   2HG2  VAL  73          HG21      VAL  73  29.159  -1.834  -1.834
  525   3HG2  VAL  73          HG23      VAL  73  28.997  -2.781  -2.781
  526    H    ALA  74           HN       ALA  74  31.988   1.159   1.159
  527    HA   ALA  74           HA       ALA  74  34.158  -0.816  -0.816
  528   1HB   ALA  74           HB2      ALA  74  33.675   1.690   1.690
  529   2HB   ALA  74           HB1      ALA  74  35.086   0.651   0.651
  530   3HB   ALA  74           HB3      ALA  74  33.472   0.019   0.019
  531    H    ALA  75           HN       ALA  75  34.096   2.771   2.771
  532    HA   ALA  75           HA       ALA  75  36.655   3.101   3.101
  533   1HB   ALA  75           HB1      ALA  75  34.092   4.618   4.618
  534   2HB   ALA  75           HB3      ALA  75  35.187   5.013   5.013
  535   3HB   ALA  75           HB2      ALA  75  35.736   5.179   5.179
  536    H    TYR  76           HN       TYR  76  33.720   1.839   1.839
  537    HA   TYR  76           HA       TYR  76  34.080   2.053   2.053
  538   1HB   TYR  76           HB2      TYR  76  31.911   1.506   1.506
  539   2HB   TYR  76           HB1      TYR  76  32.542   0.183   0.183
  540    HD1  TYR  76           HD1      TYR  76  31.855   1.298   1.298
  541    HD2  TYR  76           HD2      TYR  76  32.852  -1.989  -1.989
  542    HE1  TYR  76           HE1      TYR  76  31.367  -0.180  -0.180
  543    HE2  TYR  76           HE2      TYR  76  32.357  -3.544  -3.544
  544    HH   TYR  76           HH       TYR  76  30.633  -3.065  -3.065
  545    H    VAL  77           HN       VAL  77  34.832  -0.584  -0.584
  546    HA   VAL  77           HA       VAL  77  35.994  -2.285  -2.285
  547    HB   VAL  77           HB       VAL  77  35.338  -3.312  -3.312
  548   1HG1  VAL  77          HG11      VAL  77  36.866  -1.076  -1.076
  549   2HG1  VAL  77          HG13      VAL  77  36.472  -2.525  -2.525
  550   3HG1  VAL  77          HG12      VAL  77  35.178  -1.534  -1.534
  551   1HG2  VAL  77          HG21      VAL  77  37.841  -3.716  -3.716
  552   2HG2  VAL  77          HG23      VAL  77  37.218  -4.573  -4.573
  553   3HG2  VAL  77          HG22      VAL  77  38.233  -3.148  -3.148
  554    H    LEU  78           HN       LEU  78  37.105   0.460   0.460
  555    HA   LEU  78           HA       LEU  78  39.951  -0.074  -0.074
  556   1HB   LEU  78           HB2      LEU  78  38.860   2.671   2.671
  557   2HB   LEU  78           HB1      LEU  78  40.369   1.945   1.945
  558    HG   LEU  78           HG       LEU  78  37.572   1.427   1.427
  559   1HD1  LEU  78          HD13      LEU  78  39.414   3.227   3.227
  560   2HD1  LEU  78          HD12      LEU  78  39.962   1.829   1.829
  561   3HD1  LEU  78          HD11      LEU  78  38.316   2.429   2.429
  562   1HD2  LEU  78          HD22      LEU  78  38.707  -0.755  -0.755
  563   2HD2  LEU  78          HD21      LEU  78  38.524  -0.375  -0.375
  564   3HD2  LEU  78          HD23      LEU  78  40.088  -0.166  -0.166
  565    H    ASP  79           HN       ASP  79  37.362   1.035   1.035
  566    HA   ASP  79           HA       ASP  79  39.025   2.638   2.638
  567   1HB   ASP  79           HB2      ASP  79  36.495   2.960   2.960
  568   2HB   ASP  79           HB1      ASP  79  36.184   2.129   2.129
  569    H    GLN  80           HN       GLN  80  37.111  -0.282  -0.282
  570    HA   GLN  80           HA       GLN  80  37.297  -0.962  -0.962
  571   1HB   GLN  80           HB2      GLN  80  36.685  -2.833  -2.833
  572   2HB   GLN  80           HB1      GLN  80  36.132  -2.933  -2.933
  573   1HG   GLN  80           HG2      GLN  80  35.416  -0.436  -0.436
  574   2HG   GLN  80           HG1      GLN  80  34.646  -1.902  -1.902
  575   1HE2  GLN  80          HE22      GLN  80  33.152  -0.292  -0.292
  576   2HE2  GLN  80          HE21      GLN  80  34.085   0.538   0.538
  577    H    ALA  81           HN       ALA  81  38.908  -2.076  -2.076
  578    HA   ALA  81           HA       ALA  81  40.557  -4.000  -4.000
  579   1HB   ALA  81           HB1      ALA  81  39.861  -3.871  -3.871
  580   2HB   ALA  81           HB3      ALA  81  41.352  -2.937  -2.937
  581   3HB   ALA  81           HB2      ALA  81  41.396  -4.592  -4.592
  582    H    ALA  82           HN       ALA  82  40.754  -0.640  -0.640
  583    HA   ALA  82           HA       ALA  82  43.620  -0.466  -0.466
  584   1HB   ALA  82           HB3      ALA  82  41.431   1.585   1.585
  585   2HB   ALA  82           HB2      ALA  82  43.108   2.038   2.038
  586   3HB   ALA  82           HB1      ALA  82  42.684   1.158   1.158
  587    H    LYS  83           HN       LYS  83  41.279  -1.113  -1.113
  588    HA   LYS  83           HA       LYS  83  42.977  -0.276  -0.276
  589   1HB   LYS  83           HB2      LYS  83  41.709   1.483   1.483
  590   2HB   LYS  83           HB1      LYS  83  41.871   1.887   1.887
  591   1HG   LYS  83           HG2      LYS  83  39.614   0.624   0.624
  592   2HG   LYS  83           HG1      LYS  83  39.459   0.824   0.824
  593   1HD   LYS  83           HD2      LYS  83  40.222   3.236   3.236
  594   2HD   LYS  83           HD1      LYS  83  38.558   2.669   2.669
  595   1HE   LYS  83           HE2      LYS  83  38.042   3.520   3.520
  596   2HE   LYS  83           HE1      LYS  83  39.338   2.593   2.593
  597   1HZ   LYS  83           HZ1      LYS  83  40.830   4.419   4.419
  598   2HZ   LYS  83           HZ3      LYS  83  39.400   5.329   5.329
  599   3HZ   LYS  83           HZ2      LYS  83  39.974   4.748   4.748
  600    H    GLY  84           HN       GLY  84  41.651  -2.751  -2.751
  601   1HA   GLY  84           HA2      GLY  84  40.880  -4.377  -4.377
  602   2HA   GLY  84           HA1      GLY  84  40.180  -3.062  -3.062
  603    H    TRP  85           HN       TRP  85  39.839  -4.757  -4.757
  604    HA   TRP  85           HA       TRP  85  37.456  -3.897  -3.897
  605   1HB   TRP  85           HB2      TRP  85  38.934  -6.349  -6.349
  606   2HB   TRP  85           HB1      TRP  85  37.220  -6.730  -6.730
  607    HD1  TRP  85           HD1      TRP  85  39.748  -6.064  -6.064
  608    HE1  TRP  85           HE1      TRP  85  38.690  -5.294  -5.294
  609    HE3  TRP  85           HE3      TRP  85  35.052  -4.970  -4.970
  610    HZ2  TRP  85           HZ2      TRP  85  36.179  -4.348  -4.348
  611    HZ3  TRP  85           HZ3      TRP  85  33.344  -4.117  -4.117
  612    HH2  TRP  85           HH2      TRP  85  33.906  -3.794  -3.794
  613    H    ALA  86           HN       ALA  86  36.179  -3.110  -3.110
  614    HA   ALA  86           HA       ALA  86  34.549  -3.312  -3.312
  615   1HB   ALA  86           HB3      ALA  86  33.373  -4.144  -4.144
  616   2HB   ALA  86           HB2      ALA  86  33.809  -5.784  -5.784
  617   3HB   ALA  86           HB1      ALA  86  32.743  -4.820  -4.820
  618    H    GLY  87           HN       GLY  87  37.155  -4.828  -4.828
  619   1HA   GLY  87           HA2      GLY  87  36.969  -7.341  -7.341
  620   2HA   GLY  87           HA1      GLY  87  38.031  -6.100  -6.100
  621    HHA  HEC  88           HA       HEM  88  36.296 -10.844 -10.844
  622    HHB  HEC  88           HB       HEM  88  33.883  -5.839  -5.839
  623    HHC  HEC  88           HC       HEM  88  28.209  -8.715  -8.715
  624    HHD  HEC  88           HD       HEM  88  30.827 -13.913 -13.913
  625   1HMA  HEC  88          HMA1      HEM  88  36.630  -5.451  -5.451
  626   2HMA  HEC  88          HMA2      HEM  88  37.513  -6.451  -6.451
  627   3HMA  HEC  88          HMA3      HEM  88  35.950  -5.661  -5.661
  628   1HAA  HEC  88          HAA1      HEM  88  37.926  -9.657  -9.657
  629   2HAA  HEC  88          HAA2      HEM  88  38.344  -8.031  -8.031
  630   1HBA  HEC  88          HBA1      HEM  88  36.899  -8.340  -8.340
  631   2HBA  HEC  88          HBA2      HEM  88  37.842  -6.928  -6.928
  632   1HMB  HEC  88          HMB1      HEM  88  32.605  -4.562  -4.562
  633   2HMB  HEC  88          HMB2      HEM  88  30.863  -4.079  -4.079
  634   3HMB  HEC  88          HMB3      HEM  88  31.511  -4.980  -4.980
  635    HAB  HEC  88           HAB      HEM  88  27.922  -6.851  -6.851
  636   1HBB  HEC  88          HBB1      HEM  88  28.810  -5.528  -5.528
  637   2HBB  HEC  88          HBB2      HEM  88  27.458  -4.751  -4.751
  638   3HBB  HEC  88          HBB3      HEM  88  29.151  -4.171  -4.171
  639   1HMC  HEC  88          HMC1      HEM  88  26.318 -11.841 -11.841
  640   2HMC  HEC  88          HMC2      HEM  88  26.899 -11.305 -11.305
  641   3HMC  HEC  88          HMC3      HEM  88  26.610 -10.087 -10.087
  642    HAC  HEC  88           HAC      HEM  88  27.455 -13.704 -13.704
  643   1HBC  HEC  88          HBC1      HEM  88  27.598 -14.901 -14.901
  644   2HBC  HEC  88          HBC2      HEM  88  29.159 -15.579 -15.579
  645   3HBC  HEC  88          HBC3      HEM  88  29.154 -14.094 -14.094
  646   1HMD  HEC  88          HMD1      HEM  88  32.018 -15.195 -15.195
  647   2HMD  HEC  88          HMD2      HEM  88  33.168 -15.066 -15.066
  648   3HMD  HEC  88          HMD3      HEM  88  33.756 -15.647 -15.647
  649   1HAD  HEC  88          HAD1      HEM  88  35.813 -14.412 -14.412
  650   2HAD  HEC  88          HAD2      HEM  88  36.607 -12.810 -12.810
  651   1HBD  HEC  88          HBD1      HEM  88  35.468 -13.892 -13.892
  652   2HBD  HEC  88          HBD2      HEM  88  34.492 -12.447 -12.447

  Start of MODEL    2
    1   1H    ALA   1           HT3      ALA   1  28.966  12.417  12.417
    2   2H    ALA   1           HT2      ALA   1  28.300  12.695  12.695
    3   3H    ALA   1           HT1      ALA   1  27.313  12.148  12.148
    4    HA   ALA   1           HA       ALA   1  27.682  10.070  10.070
    5   1HB   ALA   1           HB3      ALA   1  29.639  11.380  11.380
    6   2HB   ALA   1           HB2      ALA   1  29.315   9.646   9.646
    7   3HB   ALA   1           HB1      ALA   1  28.018  10.787  10.787
    8    H    ASP   2           HN       ASP   2  28.570   8.900   8.900
    9    HA   ASP   2           HA       ASP   2  31.520   9.161   9.161
   10   1HB   ASP   2           HB2      ASP   2  29.551   8.259   8.259
   11   2HB   ASP   2           HB1      ASP   2  31.187   8.893   8.893
   12    H    LEU   3           HN       LEU   3  32.576   7.124   7.124
   13    HA   LEU   3           HA       LEU   3  31.504   4.834   4.834
   14   1HB   LEU   3           HB2      LEU   3  33.780   4.869   4.869
   15   2HB   LEU   3           HB1      LEU   3  33.467   3.634   3.634
   16    HG   LEU   3           HG       LEU   3  34.618   6.376   6.376
   17   1HD1  LEU   3          HD11      LEU   3  35.068   3.659   3.659
   18   2HD1  LEU   3          HD13      LEU   3  35.983   5.113   5.113
   19   3HD1  LEU   3          HD12      LEU   3  36.082   4.432   4.432
   20   1HD2  LEU   3          HD23      LEU   3  32.819   4.990   4.990
   21   2HD2  LEU   3          HD22      LEU   3  32.770   6.669   6.669
   22   3HD2  LEU   3          HD21      LEU   3  34.075   6.117   6.117
   23    H    ALA   4           HN       ALA   4  30.697   6.187   6.187
   24    HA   ALA   4           HA       ALA   4  30.390   3.883   3.883
   25   1HB   ALA   4           HB1      ALA   4  29.023   6.581   6.581
   26   2HB   ALA   4           HB3      ALA   4  28.516   5.349   5.349
   27   3HB   ALA   4           HB2      ALA   4  30.157   5.992   5.992
   28    H    ASN   5           HN       ASN   5  28.643   5.387   5.387
   29    HA   ASN   5           HA       ASN   5  26.218   3.827   3.827
   30   1HB   ASN   5           HB2      ASN   5  27.246   5.992   5.992
   31   2HB   ASN   5           HB1      ASN   5  26.820   4.728   4.728
   32   1HD2  ASN   5          HD22      ASN   5  23.701   5.743   5.743
   33   2HD2  ASN   5          HD21      ASN   5  25.219   5.354   5.354
   34    H    GLY   6           HN       GLY   6  29.396   3.413   3.413
   35   1HA   GLY   6           HA2      GLY   6  28.869   1.339   1.339
   36   2HA   GLY   6           HA1      GLY   6  30.412   1.583   1.583
   37    H    ALA   7           HN       ALA   7  29.861   1.123   1.123
   38    HA   ALA   7           HA       ALA   7  29.797  -1.649  -1.649
   39   1HB   ALA   7           HB3      ALA   7  29.842   0.616   0.616
   40   2HB   ALA   7           HB2      ALA   7  28.588  -0.476  -0.476
   41   3HB   ALA   7           HB1      ALA   7  30.243  -1.056  -1.056
   42    H    LYS   8           HN       LYS   8  27.164   0.479   0.479
   43    HA   LYS   8           HA       LYS   8  25.153  -1.422  -1.422
   44   1HB   LYS   8           HB2      LYS   8  24.212   0.688   0.688
   45   2HB   LYS   8           HB1      LYS   8  25.158   1.296   1.296
   46   1HG   LYS   8           HG2      LYS   8  23.197  -0.798  -0.798
   47   2HG   LYS   8           HG1      LYS   8  22.482   0.697   0.697
   48   1HD   LYS   8           HD2      LYS   8  24.453   0.436   0.436
   49   2HD   LYS   8           HD1      LYS   8  22.750   0.879   0.879
   50   1HE   LYS   8           HE2      LYS   8  24.014   2.596   2.596
   51   2HE   LYS   8           HE1      LYS   8  24.970   2.596   2.596
   52   1HZ   LYS   8           HZ2      LYS   8  22.414   2.704   2.704
   53   2HZ   LYS   8           HZ1      LYS   8  22.351   3.673   3.673
   54   3HZ   LYS   8           HZ3      LYS   8  23.452   4.037   4.037
   55    H    VAL   9           HN       VAL   9  26.547  -0.225  -0.225
   56    HA   VAL   9           HA       VAL   9  25.073  -1.845  -1.845
   57    HB   VAL   9           HB       VAL   9  27.962  -1.022  -1.022
   58   1HG1  VAL   9          HG11      VAL   9  26.580  -2.452  -2.452
   59   2HG1  VAL   9          HG13      VAL   9  25.764  -0.931  -0.931
   60   3HG1  VAL   9          HG12      VAL   9  27.503  -1.079  -1.079
   61   1HG2  VAL   9          HG22      VAL   9  25.469   0.654   0.654
   62   2HG2  VAL   9          HG21      VAL   9  26.909   0.957   0.957
   63   3HG2  VAL   9          HG23      VAL   9  26.974   1.125   1.125
   64    H    PHE  10           HN       PHE  10  27.767  -2.471  -2.471
   65    HA   PHE  10           HA       PHE  10  28.243  -5.085  -5.085
   66   1HB   PHE  10           HB2      PHE  10  30.206  -3.687  -3.687
   67   2HB   PHE  10           HB1      PHE  10  29.780  -3.575  -3.575
   68    HD1  PHE  10           HD1      PHE  10  29.554  -5.703  -5.703
   69    HD2  PHE  10           HD2      PHE  10  31.499  -5.538  -5.538
   70    HE1  PHE  10           HE1      PHE  10  30.661  -7.829  -7.829
   71    HE2  PHE  10           HE2      PHE  10  32.620  -7.695  -7.695
   72    HZ   PHE  10           HZ       PHE  10  32.212  -8.846  -8.846
   73    H    SER  11           HN       SER  11  26.860  -3.678  -3.678
   74    HA   SER  11           HA       SER  11  26.868  -6.201  -6.201
   75   1HB   SER  11           HB2      SER  11  25.679  -3.474  -3.474
   76   2HB   SER  11           HB1      SER  11  25.548  -4.855  -4.855
   77    HG   SER  11           HG       SER  11  27.336  -3.833  -3.833
   78    H    GLY  12           HN       GLY  12  25.391  -5.755  -5.755
   79   1HA   GLY  12           HA2      GLY  12  23.019  -7.206  -7.206
   80   2HA   GLY  12           HA1      GLY  12  22.649  -5.557  -5.557
   81    H    ASN  13           HN       ASN  13  25.032  -5.719  -5.719
   82    HA   ASN  13           HA       ASN  13  23.643  -7.411  -7.411
   83   1HB   ASN  13           HB2      ASN  13  25.221  -4.963  -4.963
   84   2HB   ASN  13           HB1      ASN  13  23.889  -5.733  -5.733
   85   1HD2  ASN  13          HD22      ASN  13  23.001  -3.277  -3.277
   86   2HD2  ASN  13          HD21      ASN  13  24.519  -4.035  -4.035
   87    H    CYS  14           HN       CYS  14  26.489  -6.934  -6.934
   88    HA   CYS  14           HA       CYS  14  28.051  -8.443  -8.443
   89   1HB   CYS  14           HB2      CYS  14  29.271  -6.531  -6.531
   90   2HB   CYS  14           HB1      CYS  14  29.993  -7.176  -7.176
   91    H    ALA  15           HN       ALA  15  27.123  -8.103  -8.103
   92    HA   ALA  15           HA       ALA  15  29.077  -9.660  -9.660
   93   1HB   ALA  15           HB1      ALA  15  26.142  -9.232  -9.232
   94   2HB   ALA  15           HB3      ALA  15  27.165 -10.189 -10.189
   95   3HB   ALA  15           HB2      ALA  15  27.519  -8.482  -8.482
   96    H    ALA  16           HN       ALA  16  26.182 -10.678 -10.678
   97    HA   ALA  16           HA       ALA  16  26.201 -13.416 -13.416
   98   1HB   ALA  16           HB1      ALA  16  24.551 -11.870 -11.870
   99   2HB   ALA  16           HB3      ALA  16  25.332 -12.817 -12.817
  100   3HB   ALA  16           HB2      ALA  16  24.469 -13.632 -13.632
  101    H    CYS  17           HN       CYS  17  28.495 -11.785 -11.785
  102    HA   CYS  17           HA       CYS  17  29.563 -14.418 -14.418
  103   1HB   CYS  17           HB2      CYS  17  29.157 -12.018 -12.018
  104   2HB   CYS  17           HB1      CYS  17  30.165 -13.380 -13.380
  105    H    HIS  18           HN       HIS  18  30.202 -12.125 -12.125
  106    HA   HIS  18           HA       HIS  18  33.088 -12.244 -12.244
  107   1HB   HIS  18           HB2      HIS  18  31.607  -9.593  -9.593
  108   2HB   HIS  18           HB1      HIS  18  33.348  -9.769  -9.769
  109    HD1  HIS  18           HD1      HIS  18  34.682 -10.530 -10.530
  110    HD2  HIS  18           HD2      HIS  18  30.590 -10.312 -10.312
  111    HE1  HIS  18           HE1      HIS  18  34.393 -10.778 -10.778
  112    H    MET  19           HN       MET  19  30.589 -10.461 -10.461
  113    HA   MET  19           HA       MET  19  30.585  -9.766  -9.766
  114   1HB   MET  19           HB2      MET  19  30.810 -11.932 -11.932
  115   2HB   MET  19           HB1      MET  19  29.455 -11.774 -11.774
  116   1HG   MET  19           HG2      MET  19  30.614 -13.115 -13.115
  117   2HG   MET  19           HG1      MET  19  32.067 -13.169 -13.169
  118   1HE   MET  19           HE1      MET  19  31.397 -15.350 -15.350
  119   2HE   MET  19           HE3      MET  19  31.276 -16.639 -16.639
  120   3HE   MET  19           HE2      MET  19  29.859 -16.162 -16.162
  121    H    GLY  20           HN       GLY  20  32.359  -8.462  -8.462
  122   1HA   GLY  20           HA2      GLY  20  34.354  -7.933  -7.933
  123   2HA   GLY  20           HA1      GLY  20  34.449  -9.623  -9.623
  124    H    GLY  21           HN       GLY  21  34.461  -7.997  -7.997
  125   1HA   GLY  21           HA2      GLY  21  35.721  -8.547  -8.547
  126   2HA   GLY  21           HA1      GLY  21  37.048  -8.126  -8.126
  127    H    GLY  22           HN       GLY  22  35.104 -10.821 -10.821
  128   1HA   GLY  22           HA2      GLY  22  37.422 -12.589 -12.589
  129   2HA   GLY  22           HA1      GLY  22  36.133 -13.020 -13.020
  130    H    ASN  23           HN       ASN  23  37.082 -12.899 -12.899
  131    HA   ASN  23           HA       ASN  23  34.796 -13.309 -13.309
  132   1HB   ASN  23           HB2      ASN  23  37.364 -13.564 -13.564
  133   2HB   ASN  23           HB1      ASN  23  37.011 -15.284 -15.284
  134   1HD2  ASN  23          HD22      ASN  23  35.657 -13.317 -13.317
  135   2HD2  ASN  23          HD21      ASN  23  36.582 -12.523 -12.523
  136    H    VAL  24           HN       VAL  24  33.600 -15.261 -15.261
  137    HA   VAL  24           HA       VAL  24  33.585 -17.333 -17.333
  138    HB   VAL  24           HB       VAL  24  31.576 -16.055 -16.055
  139   1HG1  VAL  24          HG13      VAL  24  31.751 -16.018 -16.018
  140   2HG1  VAL  24          HG12      VAL  24  30.127 -16.072 -16.072
  141   3HG1  VAL  24          HG11      VAL  24  31.220 -14.756 -14.756
  142   1HG2  VAL  24          HG22      VAL  24  31.545 -18.752 -18.752
  143   2HG2  VAL  24          HG21      VAL  24  30.203 -17.848 -17.848
  144   3HG2  VAL  24          HG23      VAL  24  30.299 -18.067 -18.067
  145    H    VAL  25           HN       VAL  25  33.713 -16.675 -16.675
  146    HA   VAL  25           HA       VAL  25  33.351 -19.586 -19.586
  147    HB   VAL  25           HB       VAL  25  33.319 -17.293 -17.293
  148   1HG1  VAL  25          HG12      VAL  25  33.750 -19.868 -19.868
  149   2HG1  VAL  25          HG11      VAL  25  31.994 -19.943 -19.943
  150   3HG1  VAL  25          HG13      VAL  25  32.736 -18.868 -18.868
  151   1HG2  VAL  25          HG22      VAL  25  31.449 -17.627 -17.627
  152   2HG2  VAL  25          HG21      VAL  25  31.075 -17.001 -17.001
  153   3HG2  VAL  25          HG23      VAL  25  30.810 -18.705 -18.705
  154    H    MET  26           HN       MET  26  35.202 -16.920 -16.920
  155    HA   MET  26           HA       MET  26  37.268 -18.594 -18.594
  156   1HB   MET  26           HB2      MET  26  36.898 -15.690 -15.690
  157   2HB   MET  26           HB1      MET  26  38.577 -16.233 -16.233
  158   1HG   MET  26           HG2      MET  26  36.475 -16.898 -16.898
  159   2HG   MET  26           HG1      MET  26  37.679 -15.620 -15.620
  160   1HE   MET  26           HE3      MET  26  37.283 -17.781 -17.781
  161   2HE   MET  26           HE2      MET  26  38.207 -19.276 -19.276
  162   3HE   MET  26           HE1      MET  26  36.790 -19.037 -19.037
  163    H    ALA  27           HN       ALA  27  39.622 -18.443 -18.443
  164    HA   ALA  27           HA       ALA  27  39.761 -18.420 -18.420
  165   1HB   ALA  27           HB3      ALA  27  40.953 -20.455 -20.455
  166   2HB   ALA  27           HB2      ALA  27  41.371 -20.345 -20.345
  167   3HB   ALA  27           HB1      ALA  27  39.723 -20.748 -20.748
  168    H    ASN  28           HN       ASN  28  40.486 -16.149 -16.149
  169    HA   ASN  28           HA       ASN  28  43.209 -15.796 -15.796
  170   1HB   ASN  28           HB2      ASN  28  44.295 -15.600 -15.600
  171   2HB   ASN  28           HB1      ASN  28  43.439 -17.145 -17.145
  172   1HD2  ASN  28          HD22      ASN  28  40.906 -15.924 -15.924
  173   2HD2  ASN  28          HD21      ASN  28  41.096 -16.960 -16.960
  174    H    LYS  29           HN       LYS  29  40.684 -14.674 -14.674
  175    HA   LYS  29           HA       LYS  29  41.457 -11.879 -11.879
  176   1HB   LYS  29           HB2      LYS  29  39.188 -13.349 -13.349
  177   2HB   LYS  29           HB1      LYS  29  39.056 -11.609 -11.609
  178   1HG   LYS  29           HG2      LYS  29  40.875 -11.137 -11.137
  179   2HG   LYS  29           HG1      LYS  29  41.542 -12.762 -12.762
  180   1HD   LYS  29           HD2      LYS  29  39.547 -13.632 -13.632
  181   2HD   LYS  29           HD1      LYS  29  39.045 -11.962 -11.962
  182   1HE   LYS  29           HE2      LYS  29  40.985 -11.485 -11.485
  183   2HE   LYS  29           HE1      LYS  29  41.789 -12.963 -12.963
  184   1HZ   LYS  29           HZ2      LYS  29  39.949 -14.200 -14.200
  185   2HZ   LYS  29           HZ1      LYS  29  39.430 -12.725 -12.725
  186   3HZ   LYS  29           HZ3      LYS  29  40.962 -13.339 -13.339
  187    H    THR  30           HN       THR  30  41.289 -11.180 -11.180
  188    HA   THR  30           HA       THR  30  38.636 -11.595 -11.595
  189    HB   THR  30           HB       THR  30  41.241 -11.061 -11.061
  190    HG1  THR  30           HG1      THR  30  41.788 -12.992 -12.992
  191   1HG2  THR  30          HG23      THR  30  38.449 -11.708 -11.708
  192   2HG2  THR  30          HG22      THR  30  39.679 -12.606 -12.606
  193   3HG2  THR  30          HG21      THR  30  39.680 -10.844 -10.844
  194    H    LEU  31           HN       LEU  31  38.278  -9.876  -9.876
  195    HA   LEU  31           HA       LEU  31  38.497  -7.239  -7.239
  196   1HB   LEU  31           HB2      LEU  31  36.884  -8.493  -8.493
  197   2HB   LEU  31           HB1      LEU  31  36.987  -6.730  -6.730
  198    HG   LEU  31           HG       LEU  31  35.858  -6.658  -6.658
  199   1HD1  LEU  31          HD12      LEU  31  36.730  -9.516  -9.516
  200   2HD1  LEU  31          HD11      LEU  31  35.621  -8.667  -8.667
  201   3HD1  LEU  31          HD13      LEU  31  37.279  -8.095  -8.095
  202   1HD2  LEU  31          HD21      LEU  31  34.837  -9.073  -9.073
  203   2HD2  LEU  31          HD23      LEU  31  34.223  -7.423  -7.423
  204   3HD2  LEU  31          HD22      LEU  31  34.007  -8.372  -8.372
  205    H    LYS  32           HN       LYS  32  39.948  -8.993  -8.993
  206    HA   LYS  32           HA       LYS  32  40.583  -6.809  -6.809
  207   1HB   LYS  32           HB2      LYS  32  42.540  -8.239  -8.239
  208   2HB   LYS  32           HB1      LYS  32  40.981  -9.061  -9.061
  209   1HG   LYS  32           HG2      LYS  32  41.851  -9.528  -9.528
  210   2HG   LYS  32           HG1      LYS  32  43.333  -9.643  -9.643
  211   1HD   LYS  32           HD2      LYS  32  40.779 -11.068 -11.068
  212   2HD   LYS  32           HD1      LYS  32  42.007 -11.813 -11.813
  213   1HE   LYS  32           HE2      LYS  32  43.623 -11.789 -11.789
  214   2HE   LYS  32           HE1      LYS  32  42.737 -10.585 -10.585
  215   1HZ   LYS  32           HZ1      LYS  32  41.182 -12.929 -12.929
  216   2HZ   LYS  32           HZ3      LYS  32  42.624 -13.297 -13.297
  217   3HZ   LYS  32           HZ2      LYS  32  41.544 -12.159 -12.159
  218    H    LYS  33           HN       LYS  33  43.142  -6.240  -6.240
  219    HA   LYS  33           HA       LYS  33  43.773  -4.837  -4.837
  220   1HB   LYS  33           HB2      LYS  33  45.624  -3.879  -3.879
  221   2HB   LYS  33           HB1      LYS  33  44.122  -3.782  -3.782
  222   1HG   LYS  33           HG2      LYS  33  44.768  -5.916  -5.916
  223   2HG   LYS  33           HG1      LYS  33  46.329  -5.834  -5.834
  224   1HD   LYS  33           HD2      LYS  33  45.212  -3.667  -3.667
  225   2HD   LYS  33           HD1      LYS  33  46.412  -4.864  -4.864
  226   1HE   LYS  33           HE2      LYS  33  47.687  -3.990  -3.990
  227   2HE   LYS  33           HE1      LYS  33  46.695  -2.555  -2.555
  228   1HZ   LYS  33           HZ2      LYS  33  47.487  -2.620  -2.620
  229   2HZ   LYS  33           HZ1      LYS  33  48.621  -3.789  -3.789
  230   3HZ   LYS  33           HZ3      LYS  33  48.674  -2.232  -2.232
  231    H    GLU  34           HN       GLU  34  45.126  -7.486  -7.486
  232    HA   GLU  34           HA       GLU  34  47.560  -7.840  -7.840
  233   1HB   GLU  34           HB2      GLU  34  45.717  -9.903  -9.903
  234   2HB   GLU  34           HB1      GLU  34  47.370 -10.241 -10.241
  235   1HG   GLU  34           HG2      GLU  34  47.559  -7.907  -7.907
  236   2HG   GLU  34           HG1      GLU  34  46.434  -8.950  -8.950
  237    H    ALA  35           HN       ALA  35  44.324  -8.862  -8.862
  238    HA   ALA  35           HA       ALA  35  45.493 -10.117 -10.117
  239   1HB   ALA  35           HB2      ALA  35  43.795 -11.297 -11.297
  240   2HB   ALA  35           HB1      ALA  35  42.598 -10.344 -10.344
  241   3HB   ALA  35           HB3      ALA  35  43.620 -11.492 -11.492
  242    H    LEU  36           HN       LEU  36  42.990  -7.776  -7.776
  243    HA   LEU  36           HA       LEU  36  42.202  -7.181  -7.181
  244   1HB   LEU  36           HB2      LEU  36  40.781  -5.645  -5.645
  245   2HB   LEU  36           HB1      LEU  36  41.104  -6.597  -6.597
  246    HG   LEU  36           HG       LEU  36  43.058  -4.954  -4.954
  247   1HD1  LEU  36          HD11      LEU  36  41.789  -3.900  -3.900
  248   2HD1  LEU  36          HD13      LEU  36  41.829  -2.703  -2.703
  249   3HD1  LEU  36          HD12      LEU  36  43.323  -3.454  -3.454
  250   1HD2  LEU  36          HD22      LEU  36  40.135  -4.574  -4.574
  251   2HD2  LEU  36          HD21      LEU  36  41.381  -4.713  -4.713
  252   3HD2  LEU  36          HD23      LEU  36  41.158  -3.188  -3.188
  253    H    GLU  37           HN       GLU  37  44.992  -6.466  -6.466
  254    HA   GLU  37           HA       GLU  37  45.754  -4.352  -4.352
  255   1HB   GLU  37           HB2      GLU  37  46.991  -4.880  -4.880
  256   2HB   GLU  37           HB1      GLU  37  47.302  -3.501  -3.501
  257   1HG   GLU  37           HG2      GLU  37  44.923  -2.822  -2.822
  258   2HG   GLU  37           HG1      GLU  37  44.663  -4.168  -4.168
  259    H    GLN  38           HN       GLN  38  46.085  -7.557  -7.557
  260    HA   GLN  38           HA       GLN  38  48.917  -7.931  -7.931
  261   1HB   GLN  38           HB2      GLN  38  47.891  -9.784  -9.784
  262   2HB   GLN  38           HB1      GLN  38  46.455  -9.659  -9.659
  263   1HG   GLN  38           HG2      GLN  38  47.984 -11.607 -11.607
  264   2HG   GLN  38           HG1      GLN  38  47.620 -10.534 -10.534
  265   1HE2  GLN  38          HE22      GLN  38  51.206  -9.502  -9.502
  266   2HE2  GLN  38          HE21      GLN  38  49.779  -9.444  -9.444
  267    H    PHE  39           HN       PHE  39  46.031  -8.320  -8.320
  268    HA   PHE  39           HA       PHE  39  47.665  -8.444  -8.444
  269   1HB   PHE  39           HB2      PHE  39  45.148  -8.394  -8.394
  270   2HB   PHE  39           HB1      PHE  39  45.946  -9.857  -9.857
  271    HD1  PHE  39           HD1      PHE  39  43.765  -7.075  -7.075
  272    HD2  PHE  39           HD2      PHE  39  45.031 -11.158 -11.158
  273    HE1  PHE  39           HE1      PHE  39  42.019  -7.439  -7.439
  274    HE2  PHE  39           HE2      PHE  39  43.278 -11.513 -11.513
  275    HZ   PHE  39           HZ       PHE  39  41.765  -9.651  -9.651
  276    H    GLY  40           HN       GLY  40  45.272  -6.278  -6.278
  277   1HA   GLY  40           HA2      GLY  40  46.062  -3.839  -3.839
  278   2HA   GLY  40           HA1      GLY  40  46.066  -4.230  -4.230
  279    H    MET  41           HN       MET  41  43.583  -5.364  -5.364
  280    HA   MET  41           HA       MET  41  41.589  -3.954  -3.954
  281   1HB   MET  41           HB2      MET  41  40.077  -5.527  -5.527
  282   2HB   MET  41           HB1      MET  41  41.525  -6.449  -6.449
  283   1HG   MET  41           HG2      MET  41  40.547  -6.653  -6.653
  284   2HG   MET  41           HG1      MET  41  41.202  -5.050  -5.050
  285   1HE   MET  41           HE2      MET  41  40.001  -3.518  -3.518
  286   2HE   MET  41           HE1      MET  41  38.255  -3.390  -3.390
  287   3HE   MET  41           HE3      MET  41  39.128  -4.767  -4.767
  288    H    TYR  42           HN       TYR  42  43.479  -2.850  -2.850
  289    HA   TYR  42           HA       TYR  42  41.702  -1.800  -1.800
  290   1HB   TYR  42           HB2      TYR  42  44.193  -2.177  -2.177
  291   2HB   TYR  42           HB1      TYR  42  44.430  -0.792  -0.792
  292    HD1  TYR  42           HD1      TYR  42  43.309  -1.891  -1.891
  293    HD2  TYR  42           HD2      TYR  42  43.938   1.479   1.479
  294    HE1  TYR  42           HE1      TYR  42  43.104  -0.363  -0.363
  295    HE2  TYR  42           HE2      TYR  42  43.733   3.007   3.007
  296    HH   TYR  42           HH       TYR  42  43.212   3.168   3.168
  297    H    SER  43           HN       SER  43  41.362  -1.176  -1.176
  298    HA   SER  43           HA       SER  43  41.280   1.774   1.774
  299   1HB   SER  43           HB2      SER  43  42.010  -0.002  -0.002
  300   2HB   SER  43           HB1      SER  43  40.617   0.940   0.940
  301    HG   SER  43           HG       SER  43  41.735   2.815   2.815
  302    H    GLU  44           HN       GLU  44  39.310   2.723   2.723
  303    HA   GLU  44           HA       GLU  44  36.881   1.460   1.460
  304   1HB   GLU  44           HB2      GLU  44  35.835   3.654   3.654
  305   2HB   GLU  44           HB1      GLU  44  37.003   3.784   3.784
  306   1HG   GLU  44           HG2      GLU  44  38.655   3.978   3.978
  307   2HG   GLU  44           HG1      GLU  44  37.196   4.726   4.726
  308    H    ASP  45           HN       ASP  45  37.916   2.944   2.944
  309    HA   ASP  45           HA       ASP  45  35.814   2.120   2.120
  310   1HB   ASP  45           HB2      ASP  45  37.664   3.504   3.504
  311   2HB   ASP  45           HB1      ASP  45  38.711   2.091   2.091
  312    H    ALA  46           HN       ALA  46  38.619   0.178   0.178
  313    HA   ALA  46           HA       ALA  46  38.105  -2.109  -2.109
  314   1HB   ALA  46           HB3      ALA  46  39.598  -1.538  -1.538
  315   2HB   ALA  46           HB2      ALA  46  39.149  -3.224  -3.224
  316   3HB   ALA  46           HB1      ALA  46  40.123  -2.376  -2.376
  317    H    ILE  47           HN       ILE  47  37.442  -2.014  -2.014
  318    HA   ILE  47           HA       ILE  47  35.511  -4.140  -4.140
  319    HB   ILE  47           HB       ILE  47  36.858  -3.484  -3.484
  320   1HG1  ILE  47          HG12      ILE  47  33.850  -3.499  -3.499
  321   2HG1  ILE  47          HG11      ILE  47  34.895  -4.918  -4.918
  322   1HG2  ILE  47          HG22      ILE  47  35.641  -0.978  -0.978
  323   2HG2  ILE  47          HG21      ILE  47  35.040  -1.558  -1.558
  324   3HG2  ILE  47          HG23      ILE  47  36.774  -1.391  -1.391
  325   1HD1  ILE  47          HD12      ILE  47  36.164  -3.827  -3.827
  326   2HD1  ILE  47          HD11      ILE  47  34.809  -2.710  -2.710
  327   3HD1  ILE  47          HD13      ILE  47  34.546  -4.433  -4.433
  328    H    ILE  48           HN       ILE  48  35.297  -0.938  -0.938
  329    HA   ILE  48           HA       ILE  48  32.485  -0.527  -0.527
  330    HB   ILE  48           HB       ILE  48  34.582   1.059   1.059
  331   1HG1  ILE  48          HG12      ILE  48  32.627   1.591   1.591
  332   2HG1  ILE  48          HG11      ILE  48  34.365   1.357   1.357
  333   1HG2  ILE  48          HG23      ILE  48  31.619   1.657   1.657
  334   2HG2  ILE  48          HG22      ILE  48  32.902   2.724   2.724
  335   3HG2  ILE  48          HG21      ILE  48  32.602   1.192   1.192
  336   1HD1  ILE  48          HD12      ILE  48  33.126   3.587   3.587
  337   2HD1  ILE  48          HD11      ILE  48  33.614   3.775   3.775
  338   3HD1  ILE  48          HD13      ILE  48  34.821   3.408   3.408
  339    H    TYR  49           HN       TYR  49  34.401  -1.610  -1.610
  340    HA   TYR  49           HA       TYR  49  31.999  -1.850  -1.850
  341   1HB   TYR  49           HB2      TYR  49  34.048  -1.103  -1.103
  342   2HB   TYR  49           HB1      TYR  49  34.913  -2.522  -2.522
  343    HD1  TYR  49           HD1      TYR  49  34.327  -4.788  -4.788
  344    HD2  TYR  49           HD2      TYR  49  32.473  -1.266  -1.266
  345    HE1  TYR  49           HE1      TYR  49  33.477  -6.111  -6.111
  346    HE2  TYR  49           HE2      TYR  49  31.615  -2.587  -2.587
  347    HH   TYR  49           HH       TYR  49  31.454  -5.869  -5.869
  348    H    GLN  50           HN       GLN  50  33.779  -3.576  -3.576
  349    HA   GLN  50           HA       GLN  50  32.978  -6.221  -6.221
  350   1HB   GLN  50           HB2      GLN  50  35.132  -6.431  -6.431
  351   2HB   GLN  50           HB1      GLN  50  34.890  -5.175  -5.175
  352   1HG   GLN  50           HG2      GLN  50  34.966  -7.015  -7.015
  353   2HG   GLN  50           HG1      GLN  50  33.239  -6.998  -6.998
  354   1HE2  GLN  50          HE22      GLN  50  35.476  -9.671  -9.671
  355   2HE2  GLN  50          HE21      GLN  50  36.106  -8.126  -8.126
  356    H    VAL  51           HN       VAL  51  31.872  -3.732  -3.732
  357    HA   VAL  51           HA       VAL  51  30.101  -5.534  -5.534
  358    HB   VAL  51           HB       VAL  51  30.770  -2.593  -2.593
  359   1HG1  VAL  51          HG11      VAL  51  28.595  -4.213  -4.213
  360   2HG1  VAL  51          HG13      VAL  51  29.383  -2.970  -2.970
  361   3HG1  VAL  51          HG12      VAL  51  28.576  -2.534  -2.534
  362   1HG2  VAL  51          HG22      VAL  51  32.284  -4.576  -4.576
  363   2HG2  VAL  51          HG21      VAL  51  32.018  -3.153  -3.153
  364   3HG2  VAL  51          HG23      VAL  51  31.096  -4.626  -4.626
  365    H    GLN  52           HN       GLN  52  30.074  -2.914  -2.914
  366    HA   GLN  52           HA       GLN  52  27.224  -2.536  -2.536
  367   1HB   GLN  52           HB2      GLN  52  29.533  -1.398  -1.398
  368   2HB   GLN  52           HB1      GLN  52  28.339  -1.743  -1.743
  369   1HG   GLN  52           HG2      GLN  52  26.630  -0.526  -0.526
  370   2HG   GLN  52           HG1      GLN  52  27.816  -0.201  -0.201
  371   1HE2  GLN  52          HE22      GLN  52  29.715   1.816   1.816
  372   2HE2  GLN  52          HE21      GLN  52  30.048   0.316   0.316
  373    H    HIS  53           HN       HIS  53  29.184  -5.032  -5.032
  374    HA   HIS  53           HA       HIS  53  27.020  -6.141  -6.141
  375   1HB   HIS  53           HB2      HIS  53  29.115  -6.324  -6.324
  376   2HB   HIS  53           HB1      HIS  53  27.566  -5.520  -5.520
  377    HD1  HIS  53           HD1      HIS  53  28.531  -3.648  -3.648
  378    HD2  HIS  53           HD2      HIS  53  30.187  -3.813  -3.813
  379    HE1  HIS  53           HE1      HIS  53  29.805  -1.485  -1.485
  380    H    GLY  54           HN       GLY  54  28.692  -6.762  -6.762
  381   1HA   GLY  54           HA2      GLY  54  30.050  -8.517  -8.517
  382   2HA   GLY  54           HA1      GLY  54  29.099  -9.484  -9.484
  383    H    LYS  55           HN       LYS  55  30.575 -10.682 -10.682
  384    HA   LYS  55           HA       LYS  55  32.078 -10.153 -10.153
  385   1HB   LYS  55           HB2      LYS  55  33.358  -8.937  -8.937
  386   2HB   LYS  55           HB1      LYS  55  34.413 -10.126 -10.126
  387   1HG   LYS  55           HG2      LYS  55  34.547  -8.973  -8.973
  388   2HG   LYS  55           HG1      LYS  55  32.899  -8.344  -8.344
  389   1HD   LYS  55           HD2      LYS  55  33.696  -6.409  -6.409
  390   2HD   LYS  55           HD1      LYS  55  34.399  -7.270  -7.270
  391   1HE   LYS  55           HE2      LYS  55  36.380  -7.823  -7.823
  392   2HE   LYS  55           HE1      LYS  55  35.697  -6.768  -6.768
  393   1HZ   LYS  55           HZ1      LYS  55  35.612  -5.270  -5.270
  394   2HZ   LYS  55           HZ3      LYS  55  37.095  -6.085  -6.085
  395   3HZ   LYS  55           HZ2      LYS  55  36.764  -5.133  -5.133
  396    H    ASN  56           HN       ASN  56  32.648 -12.108 -12.108
  397    HA   ASN  56           HA       ASN  56  33.189 -14.379 -14.379
  398   1HB   ASN  56           HB2      ASN  56  34.380 -13.652 -13.652
  399   2HB   ASN  56           HB1      ASN  56  34.569 -15.235 -15.235
  400   1HD2  ASN  56          HD22      ASN  56  36.701 -12.045 -12.045
  401   2HD2  ASN  56          HD21      ASN  56  35.517 -11.834 -11.834
  402    H    ALA  57           HN       ALA  57  32.792 -14.334 -14.334
  403    HA   ALA  57           HA       ALA  57  30.178 -15.744 -15.744
  404   1HB   ALA  57           HB3      ALA  57  32.599 -16.472 -16.472
  405   2HB   ALA  57           HB2      ALA  57  31.050 -16.742 -16.742
  406   3HB   ALA  57           HB1      ALA  57  31.391 -17.513 -17.513
  407    H    MET  58           HN       MET  58  30.665 -12.872 -12.872
  408    HA   MET  58           HA       MET  58  29.559 -12.663 -12.663
  409   1HB   MET  58           HB2      MET  58  31.698 -11.476 -11.476
  410   2HB   MET  58           HB1      MET  58  30.966 -10.539 -10.539
  411   1HG   MET  58           HG2      MET  58  29.322  -9.611  -9.611
  412   2HG   MET  58           HG1      MET  58  30.030 -10.580 -10.580
  413   1HE   MET  58           HE3      MET  58  29.812  -8.173  -8.173
  414   2HE   MET  58           HE2      MET  58  30.861  -6.813  -6.813
  415   3HE   MET  58           HE1      MET  58  29.583  -7.282  -7.282
  416    HA   PRO  59           HA       PRO  59  25.769 -11.485 -11.485
  417   1HB   PRO  59           HB2      PRO  59  24.597 -10.438 -10.438
  418   2HB   PRO  59           HB1      PRO  59  24.743 -12.167 -12.167
  419   1HG   PRO  59           HG2      PRO  59  26.250 -10.471 -10.471
  420   2HG   PRO  59           HG1      PRO  59  25.963 -12.214 -12.214
  421   1HD   PRO  59           HD2      PRO  59  28.332 -10.912 -10.912
  422   2HD   PRO  59           HD1      PRO  59  27.976 -12.630 -12.630
  423    H    ALA  60           HN       ALA  60  25.987  -9.812  -9.812
  424    HA   ALA  60           HA       ALA  60  26.780  -7.141  -7.141
  425   1HB   ALA  60           HB1      ALA  60  24.771  -8.431  -8.431
  426   2HB   ALA  60           HB3      ALA  60  25.218  -6.730  -6.730
  427   3HB   ALA  60           HB2      ALA  60  26.437  -7.983  -7.983
  428    H    PHE  61           HN       PHE  61  25.874  -5.594  -5.594
  429    HA   PHE  61           HA       PHE  61  23.106  -5.969  -5.969
  430   1HB   PHE  61           HB2      PHE  61  25.323  -4.115  -4.115
  431   2HB   PHE  61           HB1      PHE  61  23.674  -4.001  -4.001
  432    HD1  PHE  61           HD1      PHE  61  22.677  -6.517  -6.517
  433    HD2  PHE  61           HD2      PHE  61  26.778  -5.290  -5.290
  434    HE1  PHE  61           HE1      PHE  61  23.130  -8.392  -8.392
  435    HE2  PHE  61           HE2      PHE  61  27.233  -7.164  -7.164
  436    HZ   PHE  61           HZ       PHE  61  25.406  -8.704  -8.704
  437    H    ALA  62           HN       ALA  62  25.159  -3.378  -3.378
  438    HA   ALA  62           HA       ALA  62  24.420  -1.301  -1.301
  439   1HB   ALA  62           HB1      ALA  62  23.959  -3.672  -3.672
  440   2HB   ALA  62           HB3      ALA  62  23.210  -2.169  -2.169
  441   3HB   ALA  62           HB2      ALA  62  24.953  -2.244  -2.244
  442    H    GLY  63           HN       GLY  63  22.505  -2.062  -2.062
  443   1HA   GLY  63           HA2      GLY  63  20.304  -0.450  -0.450
  444   2HA   GLY  63           HA1      GLY  63  19.854  -2.062  -2.062
  445    H    ARG  64           HN       ARG  64  21.702  -3.054  -3.054
  446    HA   ARG  64           HA       ARG  64  19.492  -2.937  -2.937
  447   1HB   ARG  64           HB2      ARG  64  20.162  -5.195  -5.195
  448   2HB   ARG  64           HB1      ARG  64  21.863  -4.816  -4.816
  449   1HG   ARG  64           HG2      ARG  64  20.590  -4.095  -4.095
  450   2HG   ARG  64           HG1      ARG  64  19.771  -5.584  -5.584
  451   1HD   ARG  64           HD2      ARG  64  22.723  -5.534  -5.534
  452   2HD   ARG  64           HD1      ARG  64  22.107  -5.579  -5.579
  453    HE   ARG  64           HE       ARG  64  21.462  -7.637  -7.637
  454   1HH1  ARG  64          HH11      ARG  64  19.869  -7.007  -7.007
  455   2HH1  ARG  64          HH12      ARG  64  20.412  -8.338  -8.338
  456   1HH2  ARG  64          HH21      ARG  64  23.018  -9.167  -9.167
  457   2HH2  ARG  64          HH22      ARG  64  22.195  -9.562  -9.562
  458    H    LEU  65           HN       LEU  65  22.809  -2.204  -2.204
  459    HA   LEU  65           HA       LEU  65  23.272  -1.220  -1.220
  460   1HB   LEU  65           HB2      LEU  65  24.987  -1.847  -1.847
  461   2HB   LEU  65           HB1      LEU  65  25.553  -0.607  -0.607
  462    HG   LEU  65           HG       LEU  65  25.072  -2.278  -2.278
  463   1HD1  LEU  65          HD12      LEU  65  24.344  -3.838  -3.838
  464   2HD1  LEU  65          HD11      LEU  65  25.385  -4.686  -4.686
  465   3HD1  LEU  65          HD13      LEU  65  23.836  -4.038  -4.038
  466   1HD2  LEU  65          HD21      LEU  65  27.332  -1.755  -1.755
  467   2HD2  LEU  65          HD23      LEU  65  27.236  -3.117  -3.117
  468   3HD2  LEU  65          HD22      LEU  65  27.134  -3.393  -3.393
  469    H    THR  66           HN       THR  66  22.549   0.741   0.741
  470    HA   THR  66           HA       THR  66  21.538   2.655   2.655
  471    HB   THR  66           HB       THR  66  23.230   3.522   3.522
  472    HG1  THR  66           HG1      THR  66  20.618   2.438   2.438
  473   1HG2  THR  66          HG21      THR  66  20.979   4.550   4.550
  474   2HG2  THR  66          HG23      THR  66  20.798   4.756   4.756
  475   3HG2  THR  66          HG22      THR  66  22.206   5.426   5.426
  476    H    ASP  67           HN       ASP  67  22.696   4.984   4.984
  477    HA   ASP  67           HA       ASP  67  24.885   4.529   4.529
  478   1HB   ASP  67           HB2      ASP  67  22.992   6.593   6.593
  479   2HB   ASP  67           HB1      ASP  67  24.598   7.307   7.307
  480    H    GLU  68           HN       GLU  68  24.611   6.633   6.633
  481    HA   GLU  68           HA       GLU  68  27.423   7.011   7.011
  482   1HB   GLU  68           HB2      GLU  68  25.181   7.064   7.064
  483   2HB   GLU  68           HB1      GLU  68  26.792   7.756   7.756
  484   1HG   GLU  68           HG2      GLU  68  26.433   9.404   9.404
  485   2HG   GLU  68           HG1      GLU  68  25.009   8.567   8.567
  486    H    GLN  69           HN       GLN  69  25.529   4.275   4.275
  487    HA   GLN  69           HA       GLN  69  27.164   3.017   3.017
  488   1HB   GLN  69           HB2      GLN  69  24.645   2.378   2.378
  489   2HB   GLN  69           HB1      GLN  69  25.465   1.104   1.104
  490   1HG   GLN  69           HG2      GLN  69  23.643   2.309   2.309
  491   2HG   GLN  69           HG1      GLN  69  25.226   2.397   2.397
  492   1HE2  GLN  69          HE22      GLN  69  25.701   5.816   5.816
  493   2HE2  GLN  69          HE21      GLN  69  26.516   4.374   4.374
  494    H    ILE  70           HN       ILE  70  26.463   2.849   2.849
  495    HA   ILE  70           HA       ILE  70  28.077   0.487   0.487
  496    HB   ILE  70           HB       ILE  70  26.943   2.715   2.715
  497   1HG1  ILE  70          HG12      ILE  70  25.518   0.823   0.823
  498   2HG1  ILE  70          HG11      ILE  70  25.689   0.866   0.866
  499   1HG2  ILE  70          HG21      ILE  70  28.829   0.510   0.510
  500   2HG2  ILE  70          HG23      ILE  70  27.883   1.519   1.519
  501   3HG2  ILE  70          HG22      ILE  70  29.131   2.246   2.246
  502   1HD1  ILE  70          HD12      ILE  70  27.713  -0.721  -0.721
  503   2HD1  ILE  70          HD11      ILE  70  27.007  -0.987  -0.987
  504   3HD1  ILE  70          HD13      ILE  70  26.091  -1.400  -1.400
  505    H    GLN  71           HN       GLN  71  28.619   3.709   3.709
  506    HA   GLN  71           HA       GLN  71  31.312   3.887   3.887
  507   1HB   GLN  71           HB2      GLN  71  29.223   5.669   5.669
  508   2HB   GLN  71           HB1      GLN  71  30.883   6.149   6.149
  509   1HG   GLN  71           HG2      GLN  71  30.024   7.142   7.142
  510   2HG   GLN  71           HG1      GLN  71  31.388   6.067   6.067
  511   1HE2  GLN  71          HE22      GLN  71  27.656   5.089   5.089
  512   2HE2  GLN  71          HE21      GLN  71  27.864   6.397   6.397
  513    H    ASP  72           HN       ASP  72  29.863   4.822   4.822
  514    HA   ASP  72           HA       ASP  72  32.083   4.735   4.735
  515   1HB   ASP  72           HB2      ASP  72  29.141   4.445   4.445
  516   2HB   ASP  72           HB1      ASP  72  30.226   4.168   4.168
  517    H    VAL  73           HN       VAL  73  29.962   2.070   2.070
  518    HA   VAL  73           HA       VAL  73  30.961   0.184   0.184
  519    HB   VAL  73           HB       VAL  73  28.806   0.009   0.009
  520   1HG1  VAL  73          HG13      VAL  73  30.467   0.183   0.183
  521   2HG1  VAL  73          HG12      VAL  73  30.346  -1.568  -1.568
  522   3HG1  VAL  73          HG11      VAL  73  28.889  -0.602  -0.602
  523   1HG2  VAL  73          HG22      VAL  73  29.684  -1.768  -1.768
  524   2HG2  VAL  73          HG21      VAL  73  28.936  -2.445  -2.445
  525   3HG2  VAL  73          HG23      VAL  73  30.692  -2.353  -2.353
  526    H    ALA  74           HN       ALA  74  32.050   1.187   1.187
  527    HA   ALA  74           HA       ALA  74  33.931  -1.021  -1.021
  528   1HB   ALA  74           HB2      ALA  74  33.163   1.325   1.325
  529   2HB   ALA  74           HB1      ALA  74  34.910   1.082   1.082
  530   3HB   ALA  74           HB3      ALA  74  33.845  -0.207  -0.207
  531    H    ALA  75           HN       ALA  75  34.242   2.470   2.470
  532    HA   ALA  75           HA       ALA  75  36.926   2.391   2.391
  533   1HB   ALA  75           HB1      ALA  75  34.585   4.272   4.272
  534   2HB   ALA  75           HB3      ALA  75  36.130   4.540   4.540
  535   3HB   ALA  75           HB2      ALA  75  36.049   4.542   4.542
  536    H    TYR  76           HN       TYR  76  33.890   1.377   1.377
  537    HA   TYR  76           HA       TYR  76  34.329   1.533   1.533
  538   1HB   TYR  76           HB2      TYR  76  32.049   1.088   1.088
  539   2HB   TYR  76           HB1      TYR  76  32.645  -0.356  -0.356
  540    HD1  TYR  76           HD1      TYR  76  31.998   1.136   1.136
  541    HD2  TYR  76           HD2      TYR  76  32.968  -2.401  -2.401
  542    HE1  TYR  76           HE1      TYR  76  31.584  -0.140  -0.140
  543    HE2  TYR  76           HE2      TYR  76  32.549  -3.733  -3.733
  544    HH   TYR  76           HH       TYR  76  32.231  -3.611  -3.611
  545    H    VAL  77           HN       VAL  77  34.967  -0.944  -0.944
  546    HA   VAL  77           HA       VAL  77  36.046  -2.824  -2.824
  547    HB   VAL  77           HB       VAL  77  36.184  -2.612  -2.612
  548   1HG1  VAL  77          HG13      VAL  77  37.713  -4.322  -4.322
  549   2HG1  VAL  77          HG12      VAL  77  36.961  -5.162  -5.162
  550   3HG1  VAL  77          HG11      VAL  77  38.097  -3.846  -3.846
  551   1HG2  VAL  77          HG22      VAL  77  34.442  -3.896  -3.896
  552   2HG2  VAL  77          HG21      VAL  77  34.127  -3.521  -3.521
  553   3HG2  VAL  77          HG23      VAL  77  34.992  -4.997  -4.997
  554    H    LEU  78           HN       LEU  78  37.245  -0.086  -0.086
  555    HA   LEU  78           HA       LEU  78  40.064  -0.824  -0.824
  556   1HB   LEU  78           HB2      LEU  78  39.184   1.935   1.935
  557   2HB   LEU  78           HB1      LEU  78  40.606   1.029   1.029
  558    HG   LEU  78           HG       LEU  78  37.756   0.767   0.767
  559   1HD1  LEU  78          HD13      LEU  78  40.239   1.771   1.771
  560   2HD1  LEU  78          HD12      LEU  78  39.743   0.393   0.393
  561   3HD1  LEU  78          HD11      LEU  78  38.657   1.768   1.768
  562   1HD2  LEU  78          HD23      LEU  78  39.797  -1.379  -1.379
  563   2HD2  LEU  78          HD22      LEU  78  38.036  -1.495  -1.495
  564   3HD2  LEU  78          HD21      LEU  78  38.944  -1.292  -1.292
  565    H    ASP  79           HN       ASP  79  37.556   0.474   0.474
  566    HA   ASP  79           HA       ASP  79  39.283   2.168   2.168
  567   1HB   ASP  79           HB2      ASP  79  36.781   2.560   2.560
  568   2HB   ASP  79           HB1      ASP  79  36.417   1.693   1.693
  569    H    GLN  80           HN       GLN  80  37.308  -0.714  -0.714
  570    HA   GLN  80           HA       GLN  80  37.643  -1.275  -1.275
  571   1HB   GLN  80           HB2      GLN  80  36.784  -3.174  -3.174
  572   2HB   GLN  80           HB1      GLN  80  36.371  -3.243  -3.243
  573   1HG   GLN  80           HG2      GLN  80  35.637  -0.726  -0.726
  574   2HG   GLN  80           HG1      GLN  80  34.772  -2.163  -2.163
  575   1HE2  GLN  80          HE22      GLN  80  33.613  -0.494  -0.494
  576   2HE2  GLN  80          HE21      GLN  80  34.533   0.296   0.296
  577    H    ALA  81           HN       ALA  81  39.059  -2.474  -2.474
  578    HA   ALA  81           HA       ALA  81  40.581  -4.596  -4.596
  579   1HB   ALA  81           HB2      ALA  81  40.523  -3.135  -3.135
  580   2HB   ALA  81           HB1      ALA  81  42.113  -3.764  -3.764
  581   3HB   ALA  81           HB3      ALA  81  40.736  -4.859  -4.859
  582    H    ALA  82           HN       ALA  82  41.313  -1.160  -1.160
  583    HA   ALA  82           HA       ALA  82  43.992  -1.525  -1.525
  584   1HB   ALA  82           HB2      ALA  82  42.793   0.331   0.331
  585   2HB   ALA  82           HB1      ALA  82  43.159   1.234   1.234
  586   3HB   ALA  82           HB3      ALA  82  44.444   0.379   0.379
  587    H    LYS  83           HN       LYS  83  41.222  -1.682  -1.682
  588    HA   LYS  83           HA       LYS  83  42.408  -0.304  -0.304
  589   1HB   LYS  83           HB2      LYS  83  40.594   1.146   1.146
  590   2HB   LYS  83           HB1      LYS  83  40.904   1.326   1.326
  591   1HG   LYS  83           HG2      LYS  83  39.128  -0.452  -0.452
  592   2HG   LYS  83           HG1      LYS  83  38.723  -0.306  -0.306
  593   1HD   LYS  83           HD2      LYS  83  38.730   2.002   2.002
  594   2HD   LYS  83           HD1      LYS  83  37.286   1.131   1.131
  595   1HE   LYS  83           HE2      LYS  83  37.248   2.150   2.150
  596   2HE   LYS  83           HE1      LYS  83  39.002   2.086   2.086
  597   1HZ   LYS  83           HZ2      LYS  83  38.676   3.826   3.826
  598   2HZ   LYS  83           HZ1      LYS  83  37.333   4.185   4.185
  599   3HZ   LYS  83           HZ3      LYS  83  38.898   4.266   4.266
  600    H    GLY  84           HN       GLY  84  41.749  -3.151  -3.151
  601   1HA   GLY  84           HA2      GLY  84  41.154  -4.872  -4.872
  602   2HA   GLY  84           HA1      GLY  84  40.419  -3.650  -3.650
  603    H    TRP  85           HN       TRP  85  39.965  -5.288  -5.288
  604    HA   TRP  85           HA       TRP  85  37.416  -4.640  -4.640
  605   1HB   TRP  85           HB2      TRP  85  39.065  -7.023  -7.023
  606   2HB   TRP  85           HB1      TRP  85  37.353  -7.423  -7.423
  607    HD1  TRP  85           HD1      TRP  85  39.904  -6.586  -6.586
  608    HE1  TRP  85           HE1      TRP  85  38.878  -5.616  -5.616
  609    HE3  TRP  85           HE3      TRP  85  35.231  -5.562  -5.562
  610    HZ2  TRP  85           HZ2      TRP  85  36.386  -4.563  -4.563
  611    HZ3  TRP  85           HZ3      TRP  85  33.543  -4.567  -4.567
  612    HH2  TRP  85           HH2      TRP  85  34.098  -4.036  -4.036
  613    H    ALA  86           HN       ALA  86  36.235  -4.067  -4.067
  614    HA   ALA  86           HA       ALA  86  34.776  -4.496  -4.496
  615   1HB   ALA  86           HB3      ALA  86  34.038  -6.039  -6.039
  616   2HB   ALA  86           HB2      ALA  86  33.811  -7.066  -7.066
  617   3HB   ALA  86           HB1      ALA  86  33.000  -5.502  -5.502
  618    H    GLY  87           HN       GLY  87  37.555  -5.720  -5.720
  619   1HA   GLY  87           HA2      GLY  87  38.763  -7.324  -7.324
  620   2HA   GLY  87           HA1      GLY  87  37.598  -6.891  -6.891
  621    HHA  HEC  88           HA       HEM  88  35.902 -10.904 -10.904
  622    HHB  HEC  88           HB       HEM  88  33.670  -6.052  -6.052
  623    HHC  HEC  88           HC       HEM  88  27.972  -8.838  -8.838
  624    HHD  HEC  88           HD       HEM  88  30.505 -14.047 -14.047
  625   1HMA  HEC  88          HMA1      HEM  88  37.249  -6.755  -6.755
  626   2HMA  HEC  88          HMA2      HEM  88  35.712  -5.930  -5.930
  627   3HMA  HEC  88          HMA3      HEM  88  36.436  -5.650  -5.650
  628   1HAA  HEC  88          HAA1      HEM  88  37.631  -9.721  -9.721
  629   2HAA  HEC  88          HAA2      HEM  88  38.014  -8.065  -8.065
  630   1HBA  HEC  88          HBA1      HEM  88  36.398  -8.503  -8.503
  631   2HBA  HEC  88          HBA2      HEM  88  37.292  -7.024  -7.024
  632   1HMB  HEC  88          HMB1      HEM  88  31.197  -5.205  -5.205
  633   2HMB  HEC  88          HMB2      HEM  88  32.514  -4.912  -4.912
  634   3HMB  HEC  88          HMB3      HEM  88  30.856  -4.248  -4.248
  635    HAB  HEC  88           HAB      HEM  88  27.731  -6.970  -6.970
  636   1HBB  HEC  88          HBB1      HEM  88  28.701  -4.217  -4.217
  637   2HBB  HEC  88          HBB2      HEM  88  27.303  -5.178  -5.178
  638   3HBB  HEC  88          HBB3      HEM  88  28.974  -5.554  -5.554
  639   1HMC  HEC  88          HMC1      HEM  88  26.680 -11.008 -11.008
  640   2HMC  HEC  88          HMC2      HEM  88  26.225 -10.326 -10.326
  641   3HMC  HEC  88          HMC3      HEM  88  26.087 -12.102 -12.102
  642    HAC  HEC  88           HAC      HEM  88  29.015 -14.559 -14.559
  643   1HBC  HEC  88          HBC1      HEM  88  26.813 -15.397 -15.397
  644   2HBC  HEC  88          HBC2      HEM  88  27.135 -14.050 -14.050
  645   3HBC  HEC  88          HBC3      HEM  88  26.059 -13.778 -13.778
  646   1HMD  HEC  88          HMD1      HEM  88  32.527 -15.045 -15.045
  647   2HMD  HEC  88          HMD2      HEM  88  33.517 -15.698 -15.698
  648   3HMD  HEC  88          HMD3      HEM  88  31.756 -15.365 -15.365
  649   1HAD  HEC  88          HAD1      HEM  88  35.421 -14.521 -14.521
  650   2HAD  HEC  88          HAD2      HEM  88  36.249 -12.951 -12.951
  651   1HBD  HEC  88          HBD1      HEM  88  35.088 -13.986 -13.986
  652   2HBD  HEC  88          HBD2      HEM  88  34.357 -12.392 -12.392

  Start of MODEL    3
    1   1H    ALA   1           HT2      ALA   1  32.454   8.771   8.771
    2   2H    ALA   1           HT1      ALA   1  33.704   9.472   9.472
    3   3H    ALA   1           HT3      ALA   1  33.536   9.858   9.858
    4    HA   ALA   1           HA       ALA   1  31.680  11.170  11.170
    5   1HB   ALA   1           HB3      ALA   1  33.631  11.395  11.395
    6   2HB   ALA   1           HB2      ALA   1  32.268  12.505  12.505
    7   3HB   ALA   1           HB1      ALA   1  33.482  12.426  12.426
    8    H    ASP   2           HN       ASP   2  32.288   9.113   9.113
    9    HA   ASP   2           HA       ASP   2  29.347   9.190   9.190
   10   1HB   ASP   2           HB2      ASP   2  30.409   8.688   8.688
   11   2HB   ASP   2           HB1      ASP   2  29.832  10.260  10.260
   12    H    LEU   3           HN       LEU   3  32.293   7.315   7.315
   13    HA   LEU   3           HA       LEU   3  31.272   4.943   4.943
   14   1HB   LEU   3           HB2      LEU   3  33.346   5.071   5.071
   15   2HB   LEU   3           HB1      LEU   3  33.149   3.793   3.793
   16    HG   LEU   3           HG       LEU   3  33.409   6.114   6.114
   17   1HD1  LEU   3          HD12      LEU   3  34.840   6.342   6.342
   18   2HD1  LEU   3          HD11      LEU   3  35.821   6.660   6.660
   19   3HD1  LEU   3          HD13      LEU   3  34.360   7.603   7.603
   20   1HD2  LEU   3          HD22      LEU   3  35.314   3.914   3.914
   21   2HD2  LEU   3          HD21      LEU   3  34.408   4.069   4.069
   22   3HD2  LEU   3          HD23      LEU   3  35.770   5.143   5.143
   23    H    ALA   4           HN       ALA   4  30.334   6.463   6.463
   24    HA   ALA   4           HA       ALA   4  29.834   4.250   4.250
   25   1HB   ALA   4           HB3      ALA   4  29.077   7.033   7.033
   26   2HB   ALA   4           HB2      ALA   4  27.646   6.059   6.059
   27   3HB   ALA   4           HB1      ALA   4  29.053   5.956   5.956
   28    H    ASN   5           HN       ASN   5  28.328   5.578   5.578
   29    HA   ASN   5           HA       ASN   5  25.894   4.036   4.036
   30   1HB   ASN   5           HB2      ASN   5  27.188   6.007   6.007
   31   2HB   ASN   5           HB1      ASN   5  26.787   4.641   4.641
   32   1HD2  ASN   5          HD22      ASN   5  23.745   6.753   6.753
   33   2HD2  ASN   5          HD21      ASN   5  25.329   6.854   6.854
   34    H    GLY   6           HN       GLY   6  29.158   3.580   3.580
   35   1HA   GLY   6           HA2      GLY   6  28.756   1.297   1.297
   36   2HA   GLY   6           HA1      GLY   6  30.245   1.623   1.623
   37    H    ALA   7           HN       ALA   7  29.850   1.248   1.248
   38    HA   ALA   7           HA       ALA   7  29.552  -1.469  -1.469
   39   1HB   ALA   7           HB1      ALA   7  29.632   0.942   0.942
   40   2HB   ALA   7           HB3      ALA   7  28.614  -0.310  -0.310
   41   3HB   ALA   7           HB2      ALA   7  30.299  -0.659  -0.659
   42    H    LYS   8           HN       LYS   8  27.041   0.973   0.973
   43    HA   LYS   8           HA       LYS   8  24.938  -0.569  -0.569
   44   1HB   LYS   8           HB2      LYS   8  24.283   1.635   1.635
   45   2HB   LYS   8           HB1      LYS   8  25.082   1.797   1.797
   46   1HG   LYS   8           HG2      LYS   8  22.832  -0.134  -0.134
   47   2HG   LYS   8           HG1      LYS   8  22.380   1.553   1.553
   48   1HD   LYS   8           HD2      LYS   8  23.901   0.361   0.361
   49   2HD   LYS   8           HD1      LYS   8  22.300   1.094   1.094
   50   1HE   LYS   8           HE2      LYS   8  24.049   3.004   3.004
   51   2HE   LYS   8           HE1      LYS   8  24.858   2.364   2.364
   52   1HZ   LYS   8           HZ2      LYS   8  22.633   2.709   2.709
   53   2HZ   LYS   8           HZ1      LYS   8  22.217   3.675   3.675
   54   3HZ   LYS   8           HZ3      LYS   8  23.539   4.099   4.099
   55    H    VAL   9           HN       VAL   9  26.084  -0.221  -0.221
   56    HA   VAL   9           HA       VAL   9  24.189  -2.159  -2.159
   57    HB   VAL   9           HB       VAL   9  26.676  -0.825  -0.825
   58   1HG1  VAL   9          HG13      VAL   9  26.270  -3.198  -3.198
   59   2HG1  VAL   9          HG12      VAL   9  24.770  -2.561  -2.561
   60   3HG1  VAL   9          HG11      VAL   9  26.319  -1.896  -1.896
   61   1HG2  VAL   9          HG23      VAL   9  23.732  -0.426  -0.426
   62   2HG2  VAL   9          HG22      VAL   9  25.032   0.765   0.765
   63   3HG2  VAL   9          HG21      VAL   9  24.603  -0.137  -0.137
   64    H    PHE  10           HN       PHE  10  27.736  -2.243  -2.243
   65    HA   PHE  10           HA       PHE  10  28.100  -4.959  -4.959
   66   1HB   PHE  10           HB2      PHE  10  29.964  -3.374  -3.374
   67   2HB   PHE  10           HB1      PHE  10  29.645  -3.214  -3.214
   68    HD1  PHE  10           HD1      PHE  10  29.614  -5.372  -5.372
   69    HD2  PHE  10           HD2      PHE  10  31.476  -5.074  -5.074
   70    HE1  PHE  10           HE1      PHE  10  30.948  -7.364  -7.364
   71    HE2  PHE  10           HE2      PHE  10  32.817  -7.091  -7.091
   72    HZ   PHE  10           HZ       PHE  10  32.563  -8.242  -8.242
   73    H    SER  11           HN       SER  11  26.880  -3.494  -3.494
   74    HA   SER  11           HA       SER  11  27.179  -5.947  -5.947
   75   1HB   SER  11           HB2      SER  11  27.362  -3.678  -3.678
   76   2HB   SER  11           HB1      SER  11  25.661  -3.406  -3.406
   77    HG   SER  11           HG       SER  11  26.831  -5.076  -5.076
   78    H    GLY  12           HN       GLY  12  25.387  -5.642  -5.642
   79   1HA   GLY  12           HA2      GLY  12  23.235  -7.268  -7.268
   80   2HA   GLY  12           HA1      GLY  12  22.692  -5.684  -5.684
   81    H    ASN  13           HN       ASN  13  25.368  -6.817  -6.817
   82    HA   ASN  13           HA       ASN  13  23.726  -8.307  -8.307
   83   1HB   ASN  13           HB2      ASN  13  25.152  -5.837  -5.837
   84   2HB   ASN  13           HB1      ASN  13  23.912  -6.793  -6.793
   85   1HD2  ASN  13          HD22      ASN  13  22.785  -3.696  -3.696
   86   2HD2  ASN  13          HD21      ASN  13  24.400  -3.976  -3.976
   87    H    CYS  14           HN       CYS  14  26.815  -6.556  -6.556
   88    HA   CYS  14           HA       CYS  14  28.277  -8.475  -8.475
   89   1HB   CYS  14           HB2      CYS  14  29.560  -6.669  -6.669
   90   2HB   CYS  14           HB1      CYS  14  30.162  -7.145  -7.145
   91    H    ALA  15           HN       ALA  15  27.426  -8.156  -8.156
   92    HA   ALA  15           HA       ALA  15  29.329  -9.736  -9.736
   93   1HB   ALA  15           HB1      ALA  15  26.343  -9.574  -9.574
   94   2HB   ALA  15           HB3      ALA  15  27.470 -10.335 -10.335
   95   3HB   ALA  15           HB2      ALA  15  27.588  -8.607  -8.607
   96    H    ALA  16           HN       ALA  16  26.480 -10.790 -10.790
   97    HA   ALA  16           HA       ALA  16  26.589 -13.549 -13.549
   98   1HB   ALA  16           HB1      ALA  16  25.238 -11.855 -11.855
   99   2HB   ALA  16           HB3      ALA  16  25.815 -13.301 -13.301
  100   3HB   ALA  16           HB2      ALA  16  24.767 -13.452 -13.452
  101    H    CYS  17           HN       CYS  17  28.485 -11.683 -11.683
  102    HA   CYS  17           HA       CYS  17  29.949 -14.205 -14.205
  103   1HB   CYS  17           HB2      CYS  17  29.557 -11.800 -11.800
  104   2HB   CYS  17           HB1      CYS  17  30.468 -13.235 -13.235
  105    H    HIS  18           HN       HIS  18  30.374 -11.900 -11.900
  106    HA   HIS  18           HA       HIS  18  33.275 -11.798 -11.798
  107   1HB   HIS  18           HB2      HIS  18  31.571  -9.286  -9.286
  108   2HB   HIS  18           HB1      HIS  18  33.323  -9.297  -9.297
  109    HD1  HIS  18           HD1      HIS  18  34.770 -10.092 -10.092
  110    HD2  HIS  18           HD2      HIS  18  30.723  -9.945  -9.945
  111    HE1  HIS  18           HE1      HIS  18  34.616 -10.326 -10.326
  112    H    MET  19           HN       MET  19  30.861  -9.845  -9.845
  113    HA   MET  19           HA       MET  19  30.816  -9.206  -9.206
  114   1HB   MET  19           HB2      MET  19  30.696 -11.298 -11.298
  115   2HB   MET  19           HB1      MET  19  29.515 -11.184 -11.184
  116   1HG   MET  19           HG2      MET  19  30.916 -12.632 -12.632
  117   2HG   MET  19           HG1      MET  19  32.131 -12.719 -12.719
  118   1HE   MET  19           HE3      MET  19  31.508 -12.978 -12.978
  119   2HE   MET  19           HE2      MET  19  30.180 -13.911 -13.911
  120   3HE   MET  19           HE1      MET  19  31.602 -14.743 -14.743
  121    H    GLY  20           HN       GLY  20  32.681  -8.068  -8.068
  122   1HA   GLY  20           HA2      GLY  20  34.726  -7.692  -7.692
  123   2HA   GLY  20           HA1      GLY  20  34.596  -9.330  -9.330
  124    H    GLY  21           HN       GLY  21  34.782  -8.184  -8.184
  125   1HA   GLY  21           HA2      GLY  21  36.167  -8.881  -8.881
  126   2HA   GLY  21           HA1      GLY  21  37.457  -8.747  -8.747
  127    H    GLY  22           HN       GLY  22  34.803 -10.977 -10.977
  128   1HA   GLY  22           HA2      GLY  22  36.730 -13.221 -13.221
  129   2HA   GLY  22           HA1      GLY  22  35.240 -13.299 -13.299
  130    H    ASN  23           HN       ASN  23  36.577 -13.351 -13.351
  131    HA   ASN  23           HA       ASN  23  34.127 -13.494 -13.494
  132   1HB   ASN  23           HB2      ASN  23  36.788 -13.474 -13.474
  133   2HB   ASN  23           HB1      ASN  23  36.340 -15.143 -15.143
  134   1HD2  ASN  23          HD22      ASN  23  34.857 -12.089 -12.089
  135   2HD2  ASN  23          HD21      ASN  23  35.769 -11.763 -11.763
  136    H    VAL  24           HN       VAL  24  32.822 -15.239 -15.239
  137    HA   VAL  24           HA       VAL  24  33.299 -17.727 -17.727
  138    HB   VAL  24           HB       VAL  24  30.884 -18.207 -18.207
  139   1HG1  VAL  24          HG11      VAL  24  31.947 -16.688 -16.688
  140   2HG1  VAL  24          HG13      VAL  24  30.854 -15.512 -15.512
  141   3HG1  VAL  24          HG12      VAL  24  30.223 -17.042 -17.042
  142   1HG2  VAL  24          HG23      VAL  24  30.783 -16.809 -16.809
  143   2HG2  VAL  24          HG22      VAL  24  29.523 -16.371 -16.371
  144   3HG2  VAL  24          HG21      VAL  24  30.961 -15.363 -15.363
  145    H    VAL  25           HN       VAL  25  33.481 -16.494 -16.494
  146    HA   VAL  25           HA       VAL  25  33.222 -19.226 -19.226
  147    HB   VAL  25           HB       VAL  25  33.387 -16.528 -16.528
  148   1HG1  VAL  25          HG11      VAL  25  33.160 -19.370 -19.370
  149   2HG1  VAL  25          HG13      VAL  25  32.433 -18.071 -18.071
  150   3HG1  VAL  25          HG12      VAL  25  34.168 -18.067 -18.067
  151   1HG2  VAL  25          HG22      VAL  25  31.110 -18.287 -18.287
  152   2HG2  VAL  25          HG21      VAL  25  31.267 -16.534 -16.534
  153   3HG2  VAL  25          HG23      VAL  25  30.939 -17.289 -17.289
  154    H    MET  26           HN       MET  26  35.320 -16.338 -16.338
  155    HA   MET  26           HA       MET  26  37.567 -18.177 -18.177
  156   1HB   MET  26           HB2      MET  26  37.092 -15.228 -15.228
  157   2HB   MET  26           HB1      MET  26  38.699 -15.944 -15.944
  158   1HG   MET  26           HG2      MET  26  36.326 -17.140 -17.140
  159   2HG   MET  26           HG1      MET  26  37.220 -15.793 -15.793
  160   1HE   MET  26           HE2      MET  26  36.542 -18.248 -18.248
  161   2HE   MET  26           HE1      MET  26  37.975 -18.567 -18.567
  162   3HE   MET  26           HE3      MET  26  37.482 -19.710 -19.710
  163    H    ALA  27           HN       ALA  27  38.187 -18.839 -18.839
  164    HA   ALA  27           HA       ALA  27  38.357 -17.326 -17.326
  165   1HB   ALA  27           HB3      ALA  27  40.233 -19.474 -19.474
  166   2HB   ALA  27           HB2      ALA  27  40.287 -18.834 -18.834
  167   3HB   ALA  27           HB1      ALA  27  38.851 -19.688 -19.688
  168    H    ASN  28           HN       ASN  28  40.866 -17.605 -17.605
  169    HA   ASN  28           HA       ASN  28  42.689 -15.824 -15.824
  170   1HB   ASN  28           HB2      ASN  28  43.976 -15.968 -15.968
  171   2HB   ASN  28           HB1      ASN  28  43.098 -17.499 -17.499
  172   1HD2  ASN  28          HD22      ASN  28  40.811 -16.364 -16.364
  173   2HD2  ASN  28          HD21      ASN  28  40.736 -17.159 -17.159
  174    H    LYS  29           HN       LYS  29  40.036 -15.313 -15.313
  175    HA   LYS  29           HA       LYS  29  40.683 -12.465 -12.465
  176   1HB   LYS  29           HB2      LYS  29  39.344 -14.252 -14.252
  177   2HB   LYS  29           HB1      LYS  29  38.006 -13.388 -13.388
  178   1HG   LYS  29           HG2      LYS  29  38.446 -12.024 -12.024
  179   2HG   LYS  29           HG1      LYS  29  39.438 -11.256 -11.256
  180   1HD   LYS  29           HD2      LYS  29  40.967 -11.475 -11.475
  181   2HD   LYS  29           HD1      LYS  29  41.277 -12.947 -12.947
  182   1HE   LYS  29           HE2      LYS  29  40.895 -14.052 -14.052
  183   2HE   LYS  29           HE1      LYS  29  39.191 -13.684 -13.684
  184   1HZ   LYS  29           HZ2      LYS  29  39.783 -11.459 -11.459
  185   2HZ   LYS  29           HZ1      LYS  29  41.136 -12.294 -12.294
  186   3HZ   LYS  29           HZ3      LYS  29  39.573 -12.835 -12.835
  187    H    THR  30           HN       THR  30  40.555 -11.897 -11.897
  188    HA   THR  30           HA       THR  30  37.726 -11.639 -11.639
  189    HB   THR  30           HB       THR  30  40.196 -11.833 -11.833
  190    HG1  THR  30           HG1      THR  30  39.331 -13.742 -13.742
  191   1HG2  THR  30          HG22      THR  30  37.244 -11.617 -11.617
  192   2HG2  THR  30          HG21      THR  30  38.210 -12.542 -12.542
  193   3HG2  THR  30          HG23      THR  30  38.568 -10.838 -10.838
  194    H    LEU  31           HN       LEU  31  37.592  -9.730  -9.730
  195    HA   LEU  31           HA       LEU  31  38.727  -7.393  -7.393
  196   1HB   LEU  31           HB2      LEU  31  36.973  -7.552  -7.552
  197   2HB   LEU  31           HB1      LEU  31  37.385  -6.083  -6.083
  198    HG   LEU  31           HG       LEU  31  35.791  -6.418  -6.418
  199   1HD1  LEU  31          HD11      LEU  31  37.286  -8.149  -8.149
  200   2HD1  LEU  31          HD13      LEU  31  36.377  -9.371  -9.371
  201   3HD1  LEU  31          HD12      LEU  31  35.560  -8.361  -8.361
  202   1HD2  LEU  31          HD22      LEU  31  35.021  -8.762  -8.762
  203   2HD2  LEU  31          HD21      LEU  31  34.506  -7.090  -7.090
  204   3HD2  LEU  31          HD23      LEU  31  33.985  -7.991  -7.991
  205    H    LYS  32           HN       LYS  32  39.802  -9.464  -9.464
  206    HA   LYS  32           HA       LYS  32  40.748  -7.939  -7.939
  207   1HB   LYS  32           HB2      LYS  32  41.464 -10.447 -10.447
  208   2HB   LYS  32           HB1      LYS  32  42.943  -9.580  -9.580
  209   1HG   LYS  32           HG2      LYS  32  42.619 -10.186 -10.186
  210   2HG   LYS  32           HG1      LYS  32  41.193  -9.148  -9.148
  211   1HD   LYS  32           HD2      LYS  32  40.734 -11.542 -11.542
  212   2HD   LYS  32           HD1      LYS  32  39.777 -10.971 -10.971
  213   1HE   LYS  32           HE2      LYS  32  40.721 -12.479 -12.479
  214   2HE   LYS  32           HE1      LYS  32  42.344 -12.046 -12.046
  215   1HZ   LYS  32           HZ1      LYS  32  41.283 -13.388 -13.388
  216   2HZ   LYS  32           HZ3      LYS  32  40.694 -14.252 -14.252
  217   3HZ   LYS  32           HZ2      LYS  32  42.367 -14.028 -14.028
  218    H    LYS  33           HN       LYS  33  43.193  -7.305  -7.305
  219    HA   LYS  33           HA       LYS  33  43.737  -5.280  -5.280
  220   1HB   LYS  33           HB2      LYS  33  44.000  -4.648  -4.648
  221   2HB   LYS  33           HB1      LYS  33  45.138  -5.968  -5.968
  222   1HG   LYS  33           HG2      LYS  33  46.545  -4.108  -4.108
  223   2HG   LYS  33           HG1      LYS  33  46.517  -4.866  -4.866
  224   1HD   LYS  33           HD2      LYS  33  44.277  -3.109  -3.109
  225   2HD   LYS  33           HD1      LYS  33  45.684  -2.218  -2.218
  226   1HE   LYS  33           HE2      LYS  33  45.537  -3.761  -3.761
  227   2HE   LYS  33           HE1      LYS  33  45.442  -2.006  -2.006
  228   1HZ   LYS  33           HZ3      LYS  33  47.720  -3.317  -3.317
  229   2HZ   LYS  33           HZ2      LYS  33  47.709  -3.276  -3.276
  230   3HZ   LYS  33           HZ1      LYS  33  47.635  -1.830  -1.830
  231    H    GLU  34           HN       GLU  34  45.030  -8.386  -8.386
  232    HA   GLU  34           HA       GLU  34  47.479  -8.039  -8.039
  233   1HB   GLU  34           HB2      GLU  34  47.867 -10.427 -10.427
  234   2HB   GLU  34           HB1      GLU  34  47.495  -9.438  -9.438
  235   1HG   GLU  34           HG2      GLU  34  45.527 -10.514 -10.514
  236   2HG   GLU  34           HG1      GLU  34  45.126 -10.579 -10.579
  237    H    ALA  35           HN       ALA  35  44.301  -9.384  -9.384
  238    HA   ALA  35           HA       ALA  35  45.319 -10.474 -10.474
  239   1HB   ALA  35           HB1      ALA  35  44.053 -12.020 -12.020
  240   2HB   ALA  35           HB3      ALA  35  42.650 -10.960 -10.960
  241   3HB   ALA  35           HB2      ALA  35  43.276 -11.796 -11.796
  242    H    LEU  36           HN       LEU  36  42.910  -8.196  -8.196
  243    HA   LEU  36           HA       LEU  36  41.624  -7.722  -7.722
  244   1HB   LEU  36           HB2      LEU  36  40.578  -5.930  -5.930
  245   2HB   LEU  36           HB1      LEU  36  41.032  -6.868  -6.868
  246    HG   LEU  36           HG       LEU  36  43.201  -5.455  -5.455
  247   1HD1  LEU  36          HD12      LEU  36  41.661  -4.314  -4.314
  248   2HD1  LEU  36          HD11      LEU  36  42.103  -3.098  -3.098
  249   3HD1  LEU  36          HD13      LEU  36  43.353  -4.073  -4.073
  250   1HD2  LEU  36          HD22      LEU  36  40.454  -4.820  -4.820
  251   2HD2  LEU  36          HD21      LEU  36  41.931  -4.890  -4.890
  252   3HD2  LEU  36          HD23      LEU  36  41.563  -3.448  -3.448
  253    H    GLU  37           HN       GLU  37  44.530  -6.355  -6.355
  254    HA   GLU  37           HA       GLU  37  45.039  -4.776  -4.776
  255   1HB   GLU  37           HB2      GLU  37  45.569  -4.351  -4.351
  256   2HB   GLU  37           HB1      GLU  37  47.139  -4.613  -4.613
  257   1HG   GLU  37           HG2      GLU  37  45.326  -2.920  -2.920
  258   2HG   GLU  37           HG1      GLU  37  45.755  -2.226  -2.226
  259    H    GLN  38           HN       GLN  38  45.458  -7.872  -7.872
  260    HA   GLN  38           HA       GLN  38  48.237  -8.373  -8.373
  261   1HB   GLN  38           HB2      GLN  38  47.174 -10.179 -10.179
  262   2HB   GLN  38           HB1      GLN  38  45.704  -9.992  -9.992
  263   1HG   GLN  38           HG2      GLN  38  47.051 -12.005 -12.005
  264   2HG   GLN  38           HG1      GLN  38  46.806 -10.877 -10.877
  265   1HE2  GLN  38          HE22      GLN  38  50.439 -10.127 -10.127
  266   2HE2  GLN  38          HE21      GLN  38  49.010  -9.916  -9.916
  267    H    PHE  39           HN       PHE  39  45.272  -8.507  -8.507
  268    HA   PHE  39           HA       PHE  39  46.731  -8.864  -8.864
  269   1HB   PHE  39           HB2      PHE  39  44.145  -8.425  -8.425
  270   2HB   PHE  39           HB1      PHE  39  44.831  -9.997  -9.997
  271    HD1  PHE  39           HD1      PHE  39  43.221  -7.095  -7.095
  272    HD2  PHE  39           HD2      PHE  39  43.799 -11.352 -11.352
  273    HE1  PHE  39           HE1      PHE  39  41.602  -7.437  -7.437
  274    HE2  PHE  39           HE2      PHE  39  42.181 -11.682 -11.682
  275    HZ   PHE  39           HZ       PHE  39  41.081  -9.725  -9.725
  276    H    GLY  40           HN       GLY  40  44.855  -6.370  -6.370
  277   1HA   GLY  40           HA2      GLY  40  45.757  -4.045  -4.045
  278   2HA   GLY  40           HA1      GLY  40  45.858  -4.463  -4.463
  279    H    MET  41           HN       MET  41  43.556  -3.968  -3.968
  280    HA   MET  41           HA       MET  41  41.712  -2.639  -2.639
  281   1HB   MET  41           HB2      MET  41  39.859  -4.111  -4.111
  282   2HB   MET  41           HB1      MET  41  41.227  -5.138  -5.138
  283   1HG   MET  41           HG2      MET  41  40.858  -6.328  -6.328
  284   2HG   MET  41           HG1      MET  41  41.236  -4.909  -4.909
  285   1HE   MET  41           HE3      MET  41  40.079  -3.982  -3.982
  286   2HE   MET  41           HE2      MET  41  38.343  -3.788  -3.788
  287   3HE   MET  41           HE1      MET  41  39.118  -5.283  -5.283
  288    H    TYR  42           HN       TYR  42  43.275  -2.260  -2.260
  289    HA   TYR  42           HA       TYR  42  41.381  -2.029  -2.029
  290   1HB   TYR  42           HB2      TYR  42  43.814  -2.377  -2.377
  291   2HB   TYR  42           HB1      TYR  42  44.132  -0.803  -0.803
  292    HD1  TYR  42           HD1      TYR  42  43.224   1.278   1.278
  293    HD2  TYR  42           HD2      TYR  42  43.271  -2.609  -2.609
  294    HE1  TYR  42           HE1      TYR  42  42.969   2.323   2.323
  295    HE2  TYR  42           HE2      TYR  42  43.015  -1.562  -1.562
  296    HH   TYR  42           HH       TYR  42  42.740   1.978   1.978
  297    H    SER  43           HN       SER  43  41.496  -0.359  -0.359
  298    HA   SER  43           HA       SER  43  40.886   2.266   2.266
  299   1HB   SER  43           HB2      SER  43  42.202   1.461   1.461
  300   2HB   SER  43           HB1      SER  43  40.833   2.504   2.504
  301    HG   SER  43           HG       SER  43  42.982   3.482   3.482
  302    H    GLU  44           HN       GLU  44  39.006   3.430   3.430
  303    HA   GLU  44           HA       GLU  44  36.572   2.082   2.082
  304   1HB   GLU  44           HB2      GLU  44  37.398   4.783   4.783
  305   2HB   GLU  44           HB1      GLU  44  35.733   4.239   4.239
  306   1HG   GLU  44           HG2      GLU  44  35.345   4.899   4.899
  307   2HG   GLU  44           HG1      GLU  44  36.427   3.615   3.615
  308    H    ASP  45           HN       ASP  45  37.863   3.614   3.614
  309    HA   ASP  45           HA       ASP  45  36.079   2.548   2.548
  310   1HB   ASP  45           HB2      ASP  45  37.956   4.137   4.137
  311   2HB   ASP  45           HB1      ASP  45  39.007   2.729   2.729
  312    H    ALA  46           HN       ALA  46  38.752   0.812   0.812
  313    HA   ALA  46           HA       ALA  46  38.664  -1.461  -1.461
  314   1HB   ALA  46           HB2      ALA  46  40.594  -0.933  -0.933
  315   2HB   ALA  46           HB1      ALA  46  39.601  -1.346  -1.346
  316   3HB   ALA  46           HB3      ALA  46  40.014  -2.585  -2.585
  317    H    ILE  47           HN       ILE  47  37.828  -1.558  -1.558
  318    HA   ILE  47           HA       ILE  47  36.175  -3.859  -3.859
  319    HB   ILE  47           HB       ILE  47  37.165  -3.007  -3.007
  320   1HG1  ILE  47          HG12      ILE  47  34.140  -3.126  -3.126
  321   2HG1  ILE  47          HG11      ILE  47  35.210  -4.522  -4.522
  322   1HG2  ILE  47          HG21      ILE  47  35.550  -0.675  -0.675
  323   2HG2  ILE  47          HG23      ILE  47  35.380  -1.157  -1.157
  324   3HG2  ILE  47          HG22      ILE  47  36.974  -0.775  -0.775
  325   1HD1  ILE  47          HD13      ILE  47  36.322  -3.254  -3.254
  326   2HD1  ILE  47          HD12      ILE  47  34.814  -2.340  -2.340
  327   3HD1  ILE  47          HD11      ILE  47  34.791  -4.081  -4.081
  328    H    ILE  48           HN       ILE  48  35.604  -0.608  -0.608
  329    HA   ILE  48           HA       ILE  48  32.714  -0.620  -0.620
  330    HB   ILE  48           HB       ILE  48  34.702   1.143   1.143
  331   1HG1  ILE  48          HG12      ILE  48  32.674   1.677   1.677
  332   2HG1  ILE  48          HG11      ILE  48  34.391   1.391   1.391
  333   1HG2  ILE  48          HG22      ILE  48  31.739   0.967   0.967
  334   2HG2  ILE  48          HG21      ILE  48  32.473   2.570   2.570
  335   3HG2  ILE  48          HG23      ILE  48  32.973   1.416   1.416
  336   1HD1  ILE  48          HD11      ILE  48  34.932   3.358   3.358
  337   2HD1  ILE  48          HD13      ILE  48  33.210   3.648   3.648
  338   3HD1  ILE  48          HD12      ILE  48  33.907   3.806   3.806
  339    H    TYR  49           HN       TYR  49  35.079  -1.433  -1.433
  340    HA   TYR  49           HA       TYR  49  33.184  -1.850  -1.850
  341   1HB   TYR  49           HB2      TYR  49  35.602  -1.452  -1.452
  342   2HB   TYR  49           HB1      TYR  49  35.962  -3.011  -3.011
  343    HD1  TYR  49           HD1      TYR  49  35.206  -5.116  -5.116
  344    HD2  TYR  49           HD2      TYR  49  34.617  -1.306  -1.306
  345    HE1  TYR  49           HE1      TYR  49  34.720  -6.256  -6.256
  346    HE2  TYR  49           HE2      TYR  49  34.132  -2.443  -2.443
  347    HH   TYR  49           HH       TYR  49  34.569  -4.571  -4.571
  348    H    GLN  50           HN       GLN  50  34.436  -3.886  -3.886
  349    HA   GLN  50           HA       GLN  50  33.037  -6.179  -6.179
  350   1HB   GLN  50           HB2      GLN  50  33.872  -7.385  -7.385
  351   2HB   GLN  50           HB1      GLN  50  34.996  -7.058  -7.058
  352   1HG   GLN  50           HG2      GLN  50  34.619  -5.034  -5.034
  353   2HG   GLN  50           HG1      GLN  50  35.649  -6.427  -6.427
  354   1HE2  GLN  50          HE22      GLN  50  38.195  -4.388  -4.388
  355   2HE2  GLN  50          HE21      GLN  50  37.591  -5.003  -5.003
  356    H    VAL  51           HN       VAL  51  32.427  -3.705  -3.705
  357    HA   VAL  51           HA       VAL  51  30.388  -5.180  -5.180
  358    HB   VAL  51           HB       VAL  51  31.188  -2.261  -2.261
  359   1HG1  VAL  51          HG11      VAL  51  29.098  -3.715  -3.715
  360   2HG1  VAL  51          HG13      VAL  51  29.726  -2.123  -2.123
  361   3HG1  VAL  51          HG12      VAL  51  28.848  -2.348  -2.348
  362   1HG2  VAL  51          HG21      VAL  51  32.612  -4.206  -4.206
  363   2HG2  VAL  51          HG23      VAL  51  32.382  -2.668  -2.668
  364   3HG2  VAL  51          HG22      VAL  51  31.395  -4.064  -4.064
  365    H    GLN  52           HN       GLN  52  30.665  -3.170  -3.170
  366    HA   GLN  52           HA       GLN  52  27.748  -2.684  -2.684
  367   1HB   GLN  52           HB2      GLN  52  30.173  -1.502  -1.502
  368   2HB   GLN  52           HB1      GLN  52  28.795  -1.532  -1.532
  369   1HG   GLN  52           HG2      GLN  52  27.619  -0.696  -0.696
  370   2HG   GLN  52           HG1      GLN  52  29.217   0.036   0.036
  371   1HE2  GLN  52          HE22      GLN  52  28.448   1.483   1.483
  372   2HE2  GLN  52          HE21      GLN  52  29.415   0.148   0.148
  373    H    HIS  53           HN       HIS  53  30.031  -4.929  -4.929
  374    HA   HIS  53           HA       HIS  53  28.121  -5.934  -5.934
  375   1HB   HIS  53           HB2      HIS  53  30.913  -6.065  -6.065
  376   2HB   HIS  53           HB1      HIS  53  29.482  -5.792  -5.792
  377    HD1  HIS  53           HD1      HIS  53  29.861  -3.661  -3.661
  378    HD2  HIS  53           HD2      HIS  53  30.910  -3.344  -3.344
  379    HE1  HIS  53           HE1      HIS  53  30.475  -1.236  -1.236
  380    H    GLY  54           HN       GLY  54  29.602  -6.515  -6.515
  381   1HA   GLY  54           HA2      GLY  54  30.477  -8.434  -8.434
  382   2HA   GLY  54           HA1      GLY  54  29.534  -9.303  -9.303
  383    H    LYS  55           HN       LYS  55  30.923 -10.697 -10.697
  384    HA   LYS  55           HA       LYS  55  32.702 -10.388 -10.388
  385   1HB   LYS  55           HB2      LYS  55  33.899  -9.353  -9.353
  386   2HB   LYS  55           HB1      LYS  55  34.905 -10.547 -10.547
  387   1HG   LYS  55           HG2      LYS  55  34.795  -9.305  -9.305
  388   2HG   LYS  55           HG1      LYS  55  33.613  -8.174  -8.174
  389   1HD   LYS  55           HD2      LYS  55  35.287  -6.886  -6.886
  390   2HD   LYS  55           HD1      LYS  55  35.859  -8.218  -8.218
  391   1HE   LYS  55           HE2      LYS  55  37.167  -9.100  -9.100
  392   2HE   LYS  55           HE1      LYS  55  36.575  -7.794  -7.794
  393   1HZ   LYS  55           HZ2      LYS  55  38.059  -7.340  -7.340
  394   2HZ   LYS  55           HZ1      LYS  55  38.808  -7.412  -7.412
  395   3HZ   LYS  55           HZ3      LYS  55  37.673  -6.195  -6.195
  396    H    ASN  56           HN       ASN  56  33.098 -12.418 -12.418
  397    HA   ASN  56           HA       ASN  56  33.378 -14.733 -14.733
  398   1HB   ASN  56           HB2      ASN  56  34.496 -14.085 -14.085
  399   2HB   ASN  56           HB1      ASN  56  34.644 -15.651 -15.651
  400   1HD2  ASN  56          HD22      ASN  56  36.885 -12.475 -12.475
  401   2HD2  ASN  56          HD21      ASN  56  35.563 -12.200 -12.200
  402    H    ALA  57           HN       ALA  57  32.875 -14.555 -14.555
  403    HA   ALA  57           HA       ALA  57  30.141 -15.697 -15.697
  404   1HB   ALA  57           HB3      ALA  57  32.353 -16.932 -16.932
  405   2HB   ALA  57           HB2      ALA  57  31.355 -16.390 -16.390
  406   3HB   ALA  57           HB1      ALA  57  30.671 -17.451 -17.451
  407    H    MET  58           HN       MET  58  31.012 -12.866 -12.866
  408    HA   MET  58           HA       MET  58  29.848 -12.403 -12.403
  409   1HB   MET  58           HB2      MET  58  32.086 -11.420 -11.420
  410   2HB   MET  58           HB1      MET  58  31.403 -10.490 -10.490
  411   1HG   MET  58           HG2      MET  58  29.836  -9.397  -9.397
  412   2HG   MET  58           HG1      MET  58  30.517 -10.330 -10.330
  413   1HE   MET  58           HE3      MET  58  30.526  -7.957  -7.957
  414   2HE   MET  58           HE2      MET  58  31.646  -6.665  -6.665
  415   3HE   MET  58           HE1      MET  58  30.279  -7.025  -7.025
  416    HA   PRO  59           HA       PRO  59  26.227 -10.843 -10.843
  417   1HB   PRO  59           HB2      PRO  59  25.056  -9.845  -9.845
  418   2HB   PRO  59           HB1      PRO  59  25.108 -11.567 -11.567
  419   1HG   PRO  59           HG2      PRO  59  26.620 -10.048 -10.048
  420   2HG   PRO  59           HG1      PRO  59  26.259 -11.775 -11.775
  421   1HD   PRO  59           HD2      PRO  59  28.722 -10.498 -10.498
  422   2HD   PRO  59           HD1      PRO  59  28.317 -12.213 -12.213
  423    H    ALA  60           HN       ALA  60  26.876  -8.953  -8.953
  424    HA   ALA  60           HA       ALA  60  27.798  -6.477  -6.477
  425   1HB   ALA  60           HB3      ALA  60  26.912  -7.247  -7.247
  426   2HB   ALA  60           HB2      ALA  60  25.308  -6.813  -6.813
  427   3HB   ALA  60           HB1      ALA  60  26.550  -5.575  -5.575
  428    H    PHE  61           HN       PHE  61  26.719  -4.449  -4.449
  429    HA   PHE  61           HA       PHE  61  24.152  -4.826  -4.826
  430   1HB   PHE  61           HB2      PHE  61  26.642  -3.664  -3.664
  431   2HB   PHE  61           HB1      PHE  61  25.036  -3.403  -3.403
  432    HD1  PHE  61           HD1      PHE  61  23.912  -6.176  -6.176
  433    HD2  PHE  61           HD2      PHE  61  27.529  -4.941  -4.941
  434    HE1  PHE  61           HE1      PHE  61  24.031  -8.360  -8.360
  435    HE2  PHE  61           HE2      PHE  61  27.655  -7.120  -7.120
  436    HZ   PHE  61           HZ       PHE  61  25.903  -8.830  -8.830
  437    H    ALA  62           HN       ALA  62  25.174  -3.435  -3.435
  438    HA   ALA  62           HA       ALA  62  25.022  -0.629  -0.629
  439   1HB   ALA  62           HB1      ALA  62  25.493  -2.246  -2.246
  440   2HB   ALA  62           HB3      ALA  62  23.899  -1.588  -1.588
  441   3HB   ALA  62           HB2      ALA  62  25.257  -0.500  -0.500
  442    H    GLY  63           HN       GLY  63  22.652  -2.979  -2.979
  443   1HA   GLY  63           HA2      GLY  63  20.552  -0.907  -0.907
  444   2HA   GLY  63           HA1      GLY  63  20.269  -2.324  -2.324
  445    H    ARG  64           HN       ARG  64  22.223  -2.937  -2.937
  446    HA   ARG  64           HA       ARG  64  19.961  -4.387  -4.387
  447   1HB   ARG  64           HB2      ARG  64  22.444  -5.214  -5.214
  448   2HB   ARG  64           HB1      ARG  64  22.697  -4.951  -4.951
  449   1HG   ARG  64           HG2      ARG  64  20.623  -6.727  -6.727
  450   2HG   ARG  64           HG1      ARG  64  21.953  -7.227  -7.227
  451   1HD   ARG  64           HD2      ARG  64  20.941  -6.343  -6.343
  452   2HD   ARG  64           HD1      ARG  64  19.904  -5.267  -5.267
  453    HE   ARG  64           HE       ARG  64  18.419  -7.109  -7.109
  454   1HH1  ARG  64          HH11      ARG  64  20.782  -9.102  -9.102
  455   2HH1  ARG  64          HH12      ARG  64  20.429 -10.165 -10.165
  456   1HH2  ARG  64          HH21      ARG  64  18.172  -7.995  -7.995
  457   2HH2  ARG  64          HH22      ARG  64  18.952  -9.537  -9.537
  458    H    LEU  65           HN       LEU  65  22.982  -2.757  -2.757
  459    HA   LEU  65           HA       LEU  65  22.382  -2.134  -2.134
  460   1HB   LEU  65           HB2      LEU  65  24.425  -1.322  -1.322
  461   2HB   LEU  65           HB1      LEU  65  24.301  -0.385  -0.385
  462    HG   LEU  65           HG       LEU  65  24.840  -2.242  -2.242
  463   1HD1  LEU  65          HD11      LEU  65  24.019  -3.844  -3.844
  464   2HD1  LEU  65          HD13      LEU  65  25.124  -4.550  -4.550
  465   3HD1  LEU  65          HD12      LEU  65  23.517  -4.023  -4.023
  466   1HD2  LEU  65          HD21      LEU  65  26.612  -1.339  -1.339
  467   2HD2  LEU  65          HD23      LEU  65  27.002  -2.654  -2.654
  468   3HD2  LEU  65          HD22      LEU  65  26.527  -3.012  -3.012
  469    H    THR  66           HN       THR  66  22.984   0.641   0.641
  470    HA   THR  66           HA       THR  66  20.368   1.687   1.687
  471    HB   THR  66           HB       THR  66  22.342   2.550   2.550
  472    HG1  THR  66           HG1      THR  66  19.514   2.378   2.378
  473   1HG2  THR  66          HG22      THR  66  20.631   4.306   4.306
  474   2HG2  THR  66          HG21      THR  66  20.506   4.550   4.550
  475   3HG2  THR  66          HG23      THR  66  22.071   4.693   4.693
  476    H    ASP  67           HN       ASP  67  23.729   2.820   2.820
  477    HA   ASP  67           HA       ASP  67  24.434   3.397   3.397
  478   1HB   ASP  67           HB2      ASP  67  22.200   5.174   5.174
  479   2HB   ASP  67           HB1      ASP  67  23.573   5.987   5.987
  480    H    GLU  68           HN       GLU  68  23.748   5.357   5.357
  481    HA   GLU  68           HA       GLU  68  26.328   6.662   6.662
  482   1HB   GLU  68           HB2      GLU  68  24.231   6.170   6.170
  483   2HB   GLU  68           HB1      GLU  68  25.608   7.270   7.270
  484   1HG   GLU  68           HG2      GLU  68  24.572   8.882   8.882
  485   2HG   GLU  68           HG1      GLU  68  24.123   7.745   7.745
  486    H    GLN  69           HN       GLN  69  25.435   3.509   3.509
  487    HA   GLN  69           HA       GLN  69  27.595   2.950   2.950
  488   1HB   GLN  69           HB2      GLN  69  25.874   0.710   0.710
  489   2HB   GLN  69           HB1      GLN  69  26.262   1.479   1.479
  490   1HG   GLN  69           HG2      GLN  69  24.157   2.395   2.395
  491   2HG   GLN  69           HG1      GLN  69  23.843   1.622   1.622
  492   1HE2  GLN  69          HE22      GLN  69  25.648   4.951   4.951
  493   2HE2  GLN  69          HE21      GLN  69  26.454   3.505   3.505
  494    H    ILE  70           HN       ILE  70  26.348   2.442   2.442
  495    HA   ILE  70           HA       ILE  70  28.083   0.258   0.258
  496    HB   ILE  70           HB       ILE  70  27.007   2.640   2.640
  497   1HG1  ILE  70          HG12      ILE  70  25.433   0.803   0.803
  498   2HG1  ILE  70          HG11      ILE  70  25.626   0.959   0.959
  499   1HG2  ILE  70          HG21      ILE  70  29.215   1.993   1.993
  500   2HG2  ILE  70          HG23      ILE  70  28.663   0.324   0.324
  501   3HG2  ILE  70          HG22      ILE  70  27.915   1.583   1.583
  502   1HD1  ILE  70          HD12      ILE  70  27.575  -0.840  -0.840
  503   2HD1  ILE  70          HD11      ILE  70  25.903  -1.395  -1.395
  504   3HD1  ILE  70          HD13      ILE  70  26.656  -1.059  -1.059
  505    H    GLN  71           HN       GLN  71  28.389   3.541   3.541
  506    HA   GLN  71           HA       GLN  71  31.166   3.865   3.865
  507   1HB   GLN  71           HB2      GLN  71  28.873   5.522   5.522
  508   2HB   GLN  71           HB1      GLN  71  30.485   6.116   6.116
  509   1HG   GLN  71           HG2      GLN  71  29.721   7.013   7.013
  510   2HG   GLN  71           HG1      GLN  71  31.105   5.946   5.946
  511   1HE2  GLN  71          HE22      GLN  71  27.391   4.755   4.755
  512   2HE2  GLN  71          HE21      GLN  71  27.520   6.008   6.008
  513    H    ASP  72           HN       ASP  72  29.357   4.744   4.744
  514    HA   ASP  72           HA       ASP  72  31.361   4.862   4.862
  515   1HB   ASP  72           HB2      ASP  72  28.472   4.178   4.178
  516   2HB   ASP  72           HB1      ASP  72  29.419   3.756   3.756
  517    H    VAL  73           HN       VAL  73  29.572   1.954   1.954
  518    HA   VAL  73           HA       VAL  73  30.848   0.138   0.138
  519    HB   VAL  73           HB       VAL  73  28.743  -0.085  -0.085
  520   1HG1  VAL  73          HG12      VAL  73  30.369   0.020   0.020
  521   2HG1  VAL  73          HG11      VAL  73  30.781  -1.640  -1.640
  522   3HG1  VAL  73          HG13      VAL  73  29.124  -1.228  -1.228
  523   1HG2  VAL  73          HG21      VAL  73  29.533  -1.672  -1.672
  524   2HG2  VAL  73          HG23      VAL  73  28.815  -2.474  -2.474
  525   3HG2  VAL  73          HG22      VAL  73  30.569  -2.429  -2.429
  526    H    ALA  74           HN       ALA  74  31.746   1.245   1.245
  527    HA   ALA  74           HA       ALA  74  33.901  -0.646  -0.646
  528   1HB   ALA  74           HB3      ALA  74  33.017   1.846   1.846
  529   2HB   ALA  74           HB2      ALA  74  34.739   1.480   1.480
  530   3HB   ALA  74           HB1      ALA  74  33.544   0.315   0.315
  531    H    ALA  75           HN       ALA  75  33.956   2.840   2.840
  532    HA   ALA  75           HA       ALA  75  36.606   2.949   2.949
  533   1HB   ALA  75           HB3      ALA  75  34.108   4.598   4.598
  534   2HB   ALA  75           HB2      ALA  75  35.499   4.919   4.919
  535   3HB   ALA  75           HB1      ALA  75  35.658   5.061   5.061
  536    H    TYR  76           HN       TYR  76  33.686   1.598   1.598
  537    HA   TYR  76           HA       TYR  76  34.201   1.686   1.686
  538   1HB   TYR  76           HB2      TYR  76  31.944   1.148   1.148
  539   2HB   TYR  76           HB1      TYR  76  32.581  -0.317  -0.317
  540    HD1  TYR  76           HD1      TYR  76  31.759   1.317   1.317
  541    HD2  TYR  76           HD2      TYR  76  33.136  -2.262  -2.262
  542    HE1  TYR  76           HE1      TYR  76  31.380   0.159   0.159
  543    HE2  TYR  76           HE2      TYR  76  32.750  -3.463  -3.463
  544    HH   TYR  76           HH       TYR  76  32.181  -1.841  -1.841
  545    H    VAL  77           HN       VAL  77  34.850  -0.691  -0.691
  546    HA   VAL  77           HA       VAL  77  36.123  -2.528  -2.528
  547    HB   VAL  77           HB       VAL  77  36.261  -2.258  -2.258
  548   1HG1  VAL  77          HG13      VAL  77  37.586  -4.095  -4.095
  549   2HG1  VAL  77          HG12      VAL  77  36.887  -4.839  -4.839
  550   3HG1  VAL  77          HG11      VAL  77  38.109  -3.579  -3.579
  551   1HG2  VAL  77          HG23      VAL  77  34.389  -3.492  -3.492
  552   2HG2  VAL  77          HG22      VAL  77  34.132  -3.023  -3.023
  553   3HG2  VAL  77          HG21      VAL  77  34.900  -4.566  -4.566
  554    H    LEU  78           HN       LEU  78  37.077   0.379   0.379
  555    HA   LEU  78           HA       LEU  78  39.951  -0.238  -0.238
  556   1HB   LEU  78           HB2      LEU  78  38.878   2.537   2.537
  557   2HB   LEU  78           HB1      LEU  78  40.337   1.798   1.798
  558    HG   LEU  78           HG       LEU  78  37.474   1.355   1.355
  559   1HD1  LEU  78          HD11      LEU  78  39.627   2.952   2.952
  560   2HD1  LEU  78          HD13      LEU  78  39.446   1.639   1.639
  561   3HD1  LEU  78          HD12      LEU  78  38.076   2.687   2.687
  562   1HD2  LEU  78          HD23      LEU  78  39.714  -0.524  -0.524
  563   2HD2  LEU  78          HD22      LEU  78  38.005  -0.810  -0.810
  564   3HD2  LEU  78          HD21      LEU  78  39.064  -0.223  -0.223
  565    H    ASP  79           HN       ASP  79  37.449   0.739   0.739
  566    HA   ASP  79           HA       ASP  79  39.184   2.289   2.289
  567   1HB   ASP  79           HB2      ASP  79  36.607   2.636   2.636
  568   2HB   ASP  79           HB1      ASP  79  36.384   1.648   1.648
  569    H    GLN  80           HN       GLN  80  37.080  -0.532  -0.532
  570    HA   GLN  80           HA       GLN  80  37.600  -1.484  -1.484
  571   1HB   GLN  80           HB2      GLN  80  36.950  -3.239  -3.239
  572   2HB   GLN  80           HB1      GLN  80  36.490  -3.463  -3.463
  573   1HG   GLN  80           HG2      GLN  80  35.162  -1.938  -1.938
  574   2HG   GLN  80           HG1      GLN  80  34.491  -2.657  -2.657
  575   1HE2  GLN  80          HE22      GLN  80  35.507   0.363   0.363
  576   2HE2  GLN  80          HE21      GLN  80  35.894  -1.288  -1.288
  577    H    ALA  81           HN       ALA  81  38.909  -2.436  -2.436
  578    HA   ALA  81           HA       ALA  81  40.844  -4.263  -4.263
  579   1HB   ALA  81           HB1      ALA  81  39.845  -3.799  -3.799
  580   2HB   ALA  81           HB3      ALA  81  41.522  -3.263  -3.263
  581   3HB   ALA  81           HB2      ALA  81  41.151  -4.908  -4.908
  582    H    ALA  82           HN       ALA  82  40.684  -0.896  -0.896
  583    HA   ALA  82           HA       ALA  82  43.420  -0.265  -0.265
  584   1HB   ALA  82           HB1      ALA  82  41.028   1.155   1.155
  585   2HB   ALA  82           HB3      ALA  82  42.141   1.656   1.656
  586   3HB   ALA  82           HB2      ALA  82  42.604   1.829   1.829
  587    H    LYS  83           HN       LYS  83  41.982  -1.856  -1.856
  588    HA   LYS  83           HA       LYS  83  44.418  -1.925  -1.925
  589   1HB   LYS  83           HB2      LYS  83  43.741  -0.544  -0.544
  590   2HB   LYS  83           HB1      LYS  83  43.942   0.414   0.414
  591   1HG   LYS  83           HG2      LYS  83  41.231  -0.667  -0.667
  592   2HG   LYS  83           HG1      LYS  83  41.693   0.415   0.415
  593   1HD   LYS  83           HD2      LYS  83  42.625   1.641   1.641
  594   2HD   LYS  83           HD1      LYS  83  40.998   1.068   1.068
  595   1HE   LYS  83           HE2      LYS  83  41.166   2.272   2.272
  596   2HE   LYS  83           HE1      LYS  83  41.637   3.401   3.401
  597   1HZ   LYS  83           HZ2      LYS  83  39.154   1.774   1.774
  598   2HZ   LYS  83           HZ1      LYS  83  39.229   3.393   3.393
  599   3HZ   LYS  83           HZ3      LYS  83  39.592   2.996   2.996
  600    H    GLY  84           HN       GLY  84  42.995  -4.101  -4.101
  601   1HA   GLY  84           HA2      GLY  84  42.316  -5.928  -5.928
  602   2HA   GLY  84           HA1      GLY  84  41.933  -4.779  -4.779
  603    H    TRP  85           HN       TRP  85  40.870  -5.871  -5.871
  604    HA   TRP  85           HA       TRP  85  38.441  -4.681  -4.681
  605   1HB   TRP  85           HB2      TRP  85  39.646  -7.141  -7.141
  606   2HB   TRP  85           HB1      TRP  85  37.980  -7.487  -7.487
  607    HD1  TRP  85           HD1      TRP  85  39.987  -6.289  -6.289
  608    HE1  TRP  85           HE1      TRP  85  38.477  -5.205  -5.205
  609    HE3  TRP  85           HE3      TRP  85  35.708  -5.806  -5.806
  610    HZ2  TRP  85           HZ2      TRP  85  35.795  -4.263  -4.263
  611    HZ3  TRP  85           HZ3      TRP  85  33.690  -4.797  -4.797
  612    HH2  TRP  85           HH2      TRP  85  33.714  -3.984  -3.984
  613    H    ALA  86           HN       ALA  86  37.610  -4.117  -4.117
  614    HA   ALA  86           HA       ALA  86  36.379  -4.477  -4.477
  615   1HB   ALA  86           HB1      ALA  86  34.979  -6.230  -6.230
  616   2HB   ALA  86           HB3      ALA  86  34.309  -5.859  -5.859
  617   3HB   ALA  86           HB2      ALA  86  34.586  -4.564  -4.564
  618    H    GLY  87           HN       GLY  87  38.708  -6.233  -6.233
  619   1HA   GLY  87           HA2      GLY  87  39.618  -8.260  -8.260
  620   2HA   GLY  87           HA1      GLY  87  38.643  -7.873  -7.873
  621    HHA  HEC  88           HA       HEM  88  36.185 -10.306 -10.306
  622    HHB  HEC  88           HB       HEM  88  33.850  -5.606  -5.606
  623    HHC  HEC  88           HC       HEM  88  28.155  -8.443  -8.443
  624    HHD  HEC  88           HD       HEM  88  30.763 -13.504 -13.504
  625   1HMA  HEC  88          HMA1      HEM  88  35.935  -5.549  -5.549
  626   2HMA  HEC  88          HMA2      HEM  88  36.722  -5.184  -5.184
  627   3HMA  HEC  88          HMA3      HEM  88  37.468  -6.382  -6.382
  628   1HAA  HEC  88          HAA1      HEM  88  37.930  -9.246  -9.246
  629   2HAA  HEC  88          HAA2      HEM  88  38.255  -7.525  -7.525
  630   1HBA  HEC  88          HBA1      HEM  88  36.740  -8.301  -8.301
  631   2HBA  HEC  88          HBA2      HEM  88  37.548  -6.733  -6.733
  632   1HMB  HEC  88          HMB1      HEM  88  31.522  -4.862  -4.862
  633   2HMB  HEC  88          HMB2      HEM  88  30.848  -3.881  -3.881
  634   3HMB  HEC  88          HMB3      HEM  88  32.590  -4.367  -4.367
  635    HAB  HEC  88           HAB      HEM  88  27.891  -6.607  -6.607
  636   1HBB  HEC  88          HBB1      HEM  88  28.780  -3.734  -3.734
  637   2HBB  HEC  88          HBB2      HEM  88  27.437  -4.608  -4.608
  638   3HBB  HEC  88          HBB3      HEM  88  29.134  -4.797  -4.797
  639   1HMC  HEC  88          HMC1      HEM  88  26.752 -11.453 -11.453
  640   2HMC  HEC  88          HMC2      HEM  88  26.182 -11.088 -11.088
  641   3HMC  HEC  88          HMC3      HEM  88  26.717  -9.745  -9.745
  642    HAC  HEC  88           HAC      HEM  88  29.257 -14.109 -14.109
  643   1HBC  HEC  88          HBC1      HEM  88  26.324 -13.227 -13.227
  644   2HBC  HEC  88          HBC2      HEM  88  27.410 -13.664 -13.664
  645   3HBC  HEC  88          HBC3      HEM  88  26.964 -14.908 -14.908
  646   1HMD  HEC  88          HMD1      HEM  88  33.828 -15.105 -15.105
  647   2HMD  HEC  88          HMD2      HEM  88  32.062 -14.799 -14.799
  648   3HMD  HEC  88          HMD3      HEM  88  32.843 -14.405 -14.405
  649   1HAD  HEC  88          HAD1      HEM  88  35.961 -13.827 -13.827
  650   2HAD  HEC  88          HAD2      HEM  88  36.507 -12.119 -12.119
  651   1HBD  HEC  88          HBD1      HEM  88  36.275 -13.531 -13.531
  652   2HBD  HEC  88          HBD2      HEM  88  34.487 -13.371 -13.371

  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1  31.036  12.328  12.328
    2   2H    ALA   1           HT3      ALA   1  32.655  12.180  12.180
    3   3H    ALA   1           HT2      ALA   1  32.272  12.330  12.330
    4    HA   ALA   1           HA       ALA   1  32.814  10.047  10.047
    5   1HB   ALA   1           HB3      ALA   1  31.106  10.645  10.645
    6   2HB   ALA   1           HB2      ALA   1  30.706   9.115   9.115
    7   3HB   ALA   1           HB1      ALA   1  32.342   9.401   9.401
    8    H    ASP   2           HN       ASP   2  32.072   8.990   8.990
    9    HA   ASP   2           HA       ASP   2  29.167   9.230   9.230
   10   1HB   ASP   2           HB2      ASP   2  31.469   9.317   9.317
   11   2HB   ASP   2           HB1      ASP   2  29.753   9.313   9.313
   12    H    LEU   3           HN       LEU   3  32.060   7.248   7.248
   13    HA   LEU   3           HA       LEU   3  31.004   5.045   5.045
   14   1HB   LEU   3           HB2      LEU   3  33.009   4.837   4.837
   15   2HB   LEU   3           HB1      LEU   3  32.839   3.765   3.765
   16    HG   LEU   3           HG       LEU   3  33.185   6.484   6.484
   17   1HD1  LEU   3          HD11      LEU   3  34.412   6.268   6.268
   18   2HD1  LEU   3          HD13      LEU   3  35.667   5.573   5.573
   19   3HD1  LEU   3          HD12      LEU   3  35.086   7.211   7.211
   20   1HD2  LEU   3          HD23      LEU   3  34.489   3.808   3.808
   21   2HD2  LEU   3          HD22      LEU   3  33.777   4.856   4.856
   22   3HD2  LEU   3          HD21      LEU   3  35.366   5.233   5.233
   23    H    ALA   4           HN       ALA   4  29.942   6.312   6.312
   24    HA   ALA   4           HA       ALA   4  29.362   3.985   3.985
   25   1HB   ALA   4           HB3      ALA   4  28.458   6.770   6.770
   26   2HB   ALA   4           HB2      ALA   4  27.148   5.658   5.658
   27   3HB   ALA   4           HB1      ALA   4  28.610   5.688   5.688
   28    H    ASN   5           HN       ASN   5  28.179   5.365   5.365
   29    HA   ASN   5           HA       ASN   5  25.737   3.802   3.802
   30   1HB   ASN   5           HB2      ASN   5  27.101   5.939   5.939
   31   2HB   ASN   5           HB1      ASN   5  26.634   4.690   4.690
   32   1HD2  ASN   5          HD22      ASN   5  23.542   6.558   6.558
   33   2HD2  ASN   5          HD21      ASN   5  25.024   6.419   6.419
   34    H    GLY   6           HN       GLY   6  29.096   3.630   3.630
   35   1HA   GLY   6           HA2      GLY   6  28.940   1.508   1.508
   36   2HA   GLY   6           HA1      GLY   6  30.325   1.775   1.775
   37    H    ALA   7           HN       ALA   7  29.495   1.272   1.272
   38    HA   ALA   7           HA       ALA   7  29.206  -1.547  -1.547
   39   1HB   ALA   7           HB1      ALA   7  29.362   0.719   0.719
   40   2HB   ALA   7           HB3      ALA   7  28.210  -0.485  -0.485
   41   3HB   ALA   7           HB2      ALA   7  29.881  -0.947  -0.947
   42    H    LYS   8           HN       LYS   8  26.828   0.990   0.990
   43    HA   LYS   8           HA       LYS   8  24.597  -0.496  -0.496
   44   1HB   LYS   8           HB2      LYS   8  24.125   1.774   1.774
   45   2HB   LYS   8           HB1      LYS   8  24.966   1.964   1.964
   46   1HG   LYS   8           HG2      LYS   8  22.500   0.259   0.259
   47   2HG   LYS   8           HG1      LYS   8  22.299   2.007   2.007
   48   1HD   LYS   8           HD2      LYS   8  23.655   0.399   0.399
   49   2HD   LYS   8           HD1      LYS   8  22.210   1.394   1.394
   50   1HE   LYS   8           HE2      LYS   8  24.186   3.102   3.102
   51   2HE   LYS   8           HE1      LYS   8  24.985   2.167   2.167
   52   1HZ   LYS   8           HZ2      LYS   8  22.395   3.583   3.583
   53   2HZ   LYS   8           HZ1      LYS   8  23.895   4.201   4.201
   54   3HZ   LYS   8           HZ3      LYS   8  23.276   2.795   2.795
   55    H    VAL   9           HN       VAL   9  26.260  -0.318  -0.318
   56    HA   VAL   9           HA       VAL   9  24.215  -2.036  -2.036
   57    HB   VAL   9           HB       VAL   9  26.598  -0.471  -0.471
   58   1HG1  VAL   9          HG12      VAL   9  25.247  -2.819  -2.819
   59   2HG1  VAL   9          HG11      VAL   9  25.547  -1.440  -1.440
   60   3HG1  VAL   9          HG13      VAL   9  26.892  -2.223  -2.223
   61   1HG2  VAL   9          HG23      VAL   9  23.658  -0.269  -0.269
   62   2HG2  VAL   9          HG22      VAL   9  24.881   1.003   1.003
   63   3HG2  VAL   9          HG21      VAL   9  24.461   0.077   0.077
   64    H    PHE  10           HN       PHE  10  27.412  -2.204  -2.204
   65    HA   PHE  10           HA       PHE  10  27.962  -4.757  -4.757
   66   1HB   PHE  10           HB2      PHE  10  29.841  -3.225  -3.225
   67   2HB   PHE  10           HB1      PHE  10  29.529  -3.200  -3.200
   68    HD1  PHE  10           HD1      PHE  10  29.530  -5.416  -5.416
   69    HD2  PHE  10           HD2      PHE  10  31.292  -4.929  -4.929
   70    HE1  PHE  10           HE1      PHE  10  30.846  -7.455  -7.455
   71    HE2  PHE  10           HE2      PHE  10  32.608  -6.988  -6.988
   72    HZ   PHE  10           HZ       PHE  10  32.397  -8.260  -8.260
   73    H    SER  11           HN       SER  11  26.759  -3.584  -3.584
   74    HA   SER  11           HA       SER  11  27.139  -6.073  -6.073
   75   1HB   SER  11           HB2      SER  11  25.610  -3.528  -3.528
   76   2HB   SER  11           HB1      SER  11  25.490  -4.924  -4.924
   77    HG   SER  11           HG       SER  11  27.974  -4.756  -4.756
   78    H    GLY  12           HN       GLY  12  25.244  -5.537  -5.537
   79   1HA   GLY  12           HA2      GLY  12  23.387  -7.622  -7.622
   80   2HA   GLY  12           HA1      GLY  12  22.624  -6.074  -6.074
   81    H    ASN  13           HN       ASN  13  25.432  -6.659  -6.659
   82    HA   ASN  13           HA       ASN  13  23.809  -7.863  -7.863
   83   1HB   ASN  13           HB2      ASN  13  25.560  -5.407  -5.407
   84   2HB   ASN  13           HB1      ASN  13  24.640  -6.211  -6.211
   85   1HD2  ASN  13          HD22      ASN  13  22.511  -4.127  -4.127
   86   2HD2  ASN  13          HD21      ASN  13  23.982  -4.861  -4.861
   87    H    CYS  14           HN       CYS  14  27.012  -6.845  -6.845
   88    HA   CYS  14           HA       CYS  14  28.288  -8.876  -8.876
   89   1HB   CYS  14           HB2      CYS  14  29.954  -7.270  -7.270
   90   2HB   CYS  14           HB1      CYS  14  30.212  -7.642  -7.642
   91    H    ALA  15           HN       ALA  15  27.391  -8.271  -8.271
   92    HA   ALA  15           HA       ALA  15  29.140  -9.781  -9.781
   93   1HB   ALA  15           HB2      ALA  15  26.119  -9.697  -9.697
   94   2HB   ALA  15           HB1      ALA  15  27.204 -10.262 -10.262
   95   3HB   ALA  15           HB3      ALA  15  27.249  -8.574  -8.574
   96    H    ALA  16           HN       ALA  16  26.284 -11.063 -11.063
   97    HA   ALA  16           HA       ALA  16  26.705 -13.789 -13.789
   98   1HB   ALA  16           HB3      ALA  16  24.721 -12.492 -12.492
   99   2HB   ALA  16           HB2      ALA  16  25.529 -13.194 -13.194
  100   3HB   ALA  16           HB1      ALA  16  24.930 -14.239 -14.239
  101    H    CYS  17           HN       CYS  17  28.132 -11.835 -11.835
  102    HA   CYS  17           HA       CYS  17  29.574 -14.263 -14.263
  103   1HB   CYS  17           HB2      CYS  17  28.907 -11.679 -11.679
  104   2HB   CYS  17           HB1      CYS  17  30.066 -12.810 -12.810
  105    H    HIS  18           HN       HIS  18  30.118 -12.110 -12.110
  106    HA   HIS  18           HA       HIS  18  33.001 -12.046 -12.046
  107   1HB   HIS  18           HB2      HIS  18  31.310  -9.526  -9.526
  108   2HB   HIS  18           HB1      HIS  18  33.024  -9.505  -9.505
  109    HD1  HIS  18           HD1      HIS  18  34.685 -10.170 -10.170
  110    HD2  HIS  18           HD2      HIS  18  30.755  -9.996  -9.996
  111    HE1  HIS  18           HE1      HIS  18  34.785 -10.312 -10.312
  112    H    MET  19           HN       MET  19  30.635 -10.196 -10.196
  113    HA   MET  19           HA       MET  19  30.520  -9.840  -9.840
  114   1HB   MET  19           HB2      MET  19  30.564 -12.627 -12.627
  115   2HB   MET  19           HB1      MET  19  31.444 -12.329 -12.329
  116   1HG   MET  19           HG2      MET  19  29.443 -10.802 -10.802
  117   2HG   MET  19           HG1      MET  19  28.586 -11.641 -11.641
  118   1HE   MET  19           HE1      MET  19  27.405 -11.574 -11.574
  119   2HE   MET  19           HE3      MET  19  26.717 -12.793 -12.793
  120   3HE   MET  19           HE2      MET  19  27.103 -13.209 -13.209
  121    H    GLY  20           HN       GLY  20  32.055  -8.445  -8.445
  122   1HA   GLY  20           HA2      GLY  20  34.143  -7.681  -7.681
  123   2HA   GLY  20           HA1      GLY  20  34.247  -9.280  -9.280
  124    H    GLY  21           HN       GLY  21  34.415  -8.015  -8.015
  125   1HA   GLY  21           HA2      GLY  21  35.826  -8.651  -8.651
  126   2HA   GLY  21           HA1      GLY  21  37.091  -8.442  -8.442
  127    H    GLY  22           HN       GLY  22  34.580 -10.832 -10.832
  128   1HA   GLY  22           HA2      GLY  22  36.646 -12.947 -12.947
  129   2HA   GLY  22           HA1      GLY  22  35.199 -13.121 -13.121
  130    H    ASN  23           HN       ASN  23  36.333 -12.897 -12.897
  131    HA   ASN  23           HA       ASN  23  33.890 -13.277 -13.277
  132   1HB   ASN  23           HB2      ASN  23  36.273 -12.930 -12.930
  133   2HB   ASN  23           HB1      ASN  23  36.421 -14.688 -14.688
  134   1HD2  ASN  23          HD22      ASN  23  33.376 -13.359 -13.359
  135   2HD2  ASN  23          HD21      ASN  23  33.608 -12.620 -12.620
  136    H    VAL  24           HN       VAL  24  32.840 -15.240 -15.240
  137    HA   VAL  24           HA       VAL  24  33.561 -17.675 -17.675
  138    HB   VAL  24           HB       VAL  24  31.247 -18.124 -18.124
  139   1HG1  VAL  24          HG12      VAL  24  32.491 -16.127 -16.127
  140   2HG1  VAL  24          HG11      VAL  24  31.288 -15.148 -15.148
  141   3HG1  VAL  24          HG13      VAL  24  30.773 -16.404 -16.404
  142   1HG2  VAL  24          HG21      VAL  24  30.809 -15.957 -15.957
  143   2HG2  VAL  24          HG23      VAL  24  30.141 -17.589 -17.589
  144   3HG2  VAL  24          HG22      VAL  24  29.545 -16.366 -16.366
  145    H    VAL  25           HN       VAL  25  33.505 -16.466 -16.466
  146    HA   VAL  25           HA       VAL  25  32.424 -18.964 -18.964
  147    HB   VAL  25           HB       VAL  25  32.932 -16.192 -16.192
  148   1HG1  VAL  25          HG13      VAL  25  32.912 -18.803 -18.803
  149   2HG1  VAL  25          HG12      VAL  25  31.867 -17.570 -17.570
  150   3HG1  VAL  25          HG11      VAL  25  33.592 -17.260 -17.260
  151   1HG2  VAL  25          HG21      VAL  25  30.517 -18.017 -18.017
  152   2HG2  VAL  25          HG23      VAL  25  30.778 -16.524 -16.524
  153   3HG2  VAL  25          HG22      VAL  25  30.526 -16.470 -16.470
  154    H    MET  26           HN       MET  26  35.141 -16.686 -16.686
  155    HA   MET  26           HA       MET  26  36.718 -18.866 -18.866
  156   1HB   MET  26           HB2      MET  26  37.205 -15.914 -15.914
  157   2HB   MET  26           HB1      MET  26  38.474 -16.994 -16.994
  158   1HG   MET  26           HG2      MET  26  35.941 -17.350 -17.350
  159   2HG   MET  26           HG1      MET  26  36.578 -15.713 -15.713
  160   1HE   MET  26           HE2      MET  26  38.863 -15.200 -15.200
  161   2HE   MET  26           HE1      MET  26  40.019 -16.485 -16.485
  162   3HE   MET  26           HE3      MET  26  39.856 -15.848 -15.848
  163    H    ALA  27           HN       ALA  27  39.251 -18.512 -18.512
  164    HA   ALA  27           HA       ALA  27  39.118 -18.756 -18.756
  165   1HB   ALA  27           HB2      ALA  27  40.532 -20.549 -20.549
  166   2HB   ALA  27           HB1      ALA  27  40.926 -20.535 -20.535
  167   3HB   ALA  27           HB3      ALA  27  39.312 -21.006 -21.006
  168    H    ASN  28           HN       ASN  28  39.791 -16.343 -16.343
  169    HA   ASN  28           HA       ASN  28  42.327 -15.798 -15.798
  170   1HB   ASN  28           HB2      ASN  28  43.592 -15.299 -15.299
  171   2HB   ASN  28           HB1      ASN  28  43.374 -17.013 -17.013
  172   1HD2  ASN  28          HD22      ASN  28  41.385 -15.342 -15.342
  173   2HD2  ASN  28          HD21      ASN  28  42.095 -14.334 -14.334
  174    H    LYS  29           HN       LYS  29  40.108 -14.887 -14.887
  175    HA   LYS  29           HA       LYS  29  40.760 -12.071 -12.071
  176   1HB   LYS  29           HB2      LYS  29  39.381 -13.629 -13.629
  177   2HB   LYS  29           HB1      LYS  29  38.060 -12.800 -12.800
  178   1HG   LYS  29           HG2      LYS  29  38.511 -11.165 -11.165
  179   2HG   LYS  29           HG1      LYS  29  39.754 -10.719 -10.719
  180   1HD   LYS  29           HD2      LYS  29  40.953 -10.866 -10.866
  181   2HD   LYS  29           HD1      LYS  29  41.243 -12.434 -12.434
  182   1HE   LYS  29           HE2      LYS  29  39.245 -13.306 -13.306
  183   2HE   LYS  29           HE1      LYS  29  39.258 -11.783 -11.783
  184   1HZ   LYS  29           HZ2      LYS  29  41.672 -13.473 -13.473
  185   2HZ   LYS  29           HZ1      LYS  29  40.535 -13.706 -13.706
  186   3HZ   LYS  29           HZ3      LYS  29  41.360 -12.229 -12.229
  187    H    THR  30           HN       THR  30  40.594 -11.524 -11.524
  188    HA   THR  30           HA       THR  30  37.780 -11.403 -11.403
  189    HB   THR  30           HB       THR  30  40.265 -11.516 -11.516
  190    HG1  THR  30           HG1      THR  30  40.075 -13.414 -13.414
  191   1HG2  THR  30          HG22      THR  30  37.369 -11.332 -11.332
  192   2HG2  THR  30          HG21      THR  30  38.130 -12.630 -12.630
  193   3HG2  THR  30          HG23      THR  30  38.696 -10.971 -10.971
  194    H    LEU  31           HN       LEU  31  37.593  -9.546  -9.546
  195    HA   LEU  31           HA       LEU  31  38.741  -7.133  -7.133
  196   1HB   LEU  31           HB2      LEU  31  36.815  -7.333  -7.333
  197   2HB   LEU  31           HB1      LEU  31  37.211  -5.887  -5.887
  198    HG   LEU  31           HG       LEU  31  35.606  -6.324  -6.324
  199   1HD1  LEU  31          HD11      LEU  31  37.378  -7.827  -7.827
  200   2HD1  LEU  31          HD13      LEU  31  36.490  -9.175  -9.175
  201   3HD1  LEU  31          HD12      LEU  31  35.696  -8.116  -8.116
  202   1HD2  LEU  31          HD21      LEU  31  34.414  -7.255  -7.255
  203   2HD2  LEU  31          HD23      LEU  31  34.004  -8.107  -8.107
  204   3HD2  LEU  31          HD22      LEU  31  35.111  -8.840  -8.840
  205    H    LYS  32           HN       LYS  32  39.420  -9.237  -9.237
  206    HA   LYS  32           HA       LYS  32  40.219  -7.917  -7.917
  207   1HB   LYS  32           HB2      LYS  32  41.189 -10.243 -10.243
  208   2HB   LYS  32           HB1      LYS  32  42.549  -9.385  -9.385
  209   1HG   LYS  32           HG2      LYS  32  41.971 -10.315 -10.315
  210   2HG   LYS  32           HG1      LYS  32  40.524  -9.305  -9.305
  211   1HD   LYS  32           HD2      LYS  32  39.643 -11.480 -11.480
  212   2HD   LYS  32           HD1      LYS  32  39.544 -11.159 -11.159
  213   1HE   LYS  32           HE2      LYS  32  42.024 -12.185 -12.185
  214   2HE   LYS  32           HE1      LYS  32  41.354 -13.007 -13.007
  215   1HZ   LYS  32           HZ3      LYS  32  39.430 -13.617 -13.617
  216   2HZ   LYS  32           HZ2      LYS  32  40.375 -13.088 -13.088
  217   3HZ   LYS  32           HZ1      LYS  32  40.903 -14.384 -14.384
  218    H    LYS  33           HN       LYS  33  42.739  -8.246  -8.246
  219    HA   LYS  33           HA       LYS  33  43.311  -5.520  -5.520
  220   1HB   LYS  33           HB2      LYS  33  43.752  -5.082  -5.082
  221   2HB   LYS  33           HB1      LYS  33  44.420  -6.685  -6.685
  222   1HG   LYS  33           HG2      LYS  33  46.202  -4.987  -4.987
  223   2HG   LYS  33           HG1      LYS  33  46.418  -6.088  -6.088
  224   1HD   LYS  33           HD2      LYS  33  44.876  -4.217  -4.217
  225   2HD   LYS  33           HD1      LYS  33  45.681  -3.206  -3.206
  226   1HE   LYS  33           HE2      LYS  33  47.172  -5.105  -5.105
  227   2HE   LYS  33           HE1      LYS  33  46.895  -3.409  -3.409
  228   1HZ   LYS  33           HZ3      LYS  33  47.838  -3.290  -3.290
  229   2HZ   LYS  33           HZ2      LYS  33  48.735  -4.578  -4.578
  230   3HZ   LYS  33           HZ1      LYS  33  48.768  -3.053  -3.053
  231    H    GLU  34           HN       GLU  34  44.800  -8.701  -8.701
  232    HA   GLU  34           HA       GLU  34  47.132  -8.136  -8.136
  233   1HB   GLU  34           HB2      GLU  34  45.865 -10.697 -10.697
  234   2HB   GLU  34           HB1      GLU  34  47.340 -10.683 -10.683
  235   1HG   GLU  34           HG2      GLU  34  48.540  -9.472  -9.472
  236   2HG   GLU  34           HG1      GLU  34  47.058  -9.045  -9.045
  237    H    ALA  35           HN       ALA  35  44.115  -9.893  -9.893
  238    HA   ALA  35           HA       ALA  35  44.913 -10.502 -10.502
  239   1HB   ALA  35           HB1      ALA  35  42.893 -11.331 -11.331
  240   2HB   ALA  35           HB3      ALA  35  42.023 -10.329 -10.329
  241   3HB   ALA  35           HB2      ALA  35  42.989 -11.693 -11.693
  242    H    LEU  36           HN       LEU  36  42.698  -8.021  -8.021
  243    HA   LEU  36           HA       LEU  36  42.103  -6.877  -6.877
  244   1HB   LEU  36           HB2      LEU  36  41.254  -4.940  -4.940
  245   2HB   LEU  36           HB1      LEU  36  40.680  -6.460  -6.460
  246    HG   LEU  36           HG       LEU  36  43.243  -5.370  -5.370
  247   1HD1  LEU  36          HD12      LEU  36  41.479  -3.470  -3.470
  248   2HD1  LEU  36          HD11      LEU  36  40.605  -4.336  -4.336
  249   3HD1  LEU  36          HD13      LEU  36  42.226  -3.719  -3.719
  250   1HD2  LEU  36          HD21      LEU  36  41.016  -7.134  -7.134
  251   2HD2  LEU  36          HD23      LEU  36  42.727  -7.217  -7.217
  252   3HD2  LEU  36          HD22      LEU  36  41.661  -6.113  -6.113
  253    H    GLU  37           HN       GLU  37  44.911  -6.762  -6.762
  254    HA   GLU  37           HA       GLU  37  45.889  -4.459  -4.459
  255   1HB   GLU  37           HB2      GLU  37  46.678  -5.336  -5.336
  256   2HB   GLU  37           HB1      GLU  37  47.517  -4.082  -4.082
  257   1HG   GLU  37           HG2      GLU  37  44.656  -3.638  -3.638
  258   2HG   GLU  37           HG1      GLU  37  45.237  -3.750  -3.750
  259    H    GLN  38           HN       GLN  38  45.915  -7.631  -7.631
  260    HA   GLN  38           HA       GLN  38  48.772  -8.140  -8.140
  261   1HB   GLN  38           HB2      GLN  38  47.636  -9.992  -9.992
  262   2HB   GLN  38           HB1      GLN  38  46.248  -9.775  -9.775
  263   1HG   GLN  38           HG2      GLN  38  47.734 -11.731 -11.731
  264   2HG   GLN  38           HG1      GLN  38  47.480 -10.569 -10.569
  265   1HE2  GLN  38          HE22      GLN  38  51.016  -9.762  -9.762
  266   2HE2  GLN  38          HE21      GLN  38  49.546  -9.692  -9.692
  267    H    PHE  39           HN       PHE  39  45.870  -8.316  -8.316
  268    HA   PHE  39           HA       PHE  39  47.529  -8.328  -8.328
  269   1HB   PHE  39           HB2      PHE  39  45.022  -8.168  -8.168
  270   2HB   PHE  39           HB1      PHE  39  45.794  -9.680  -9.680
  271    HD1  PHE  39           HD1      PHE  39  43.721  -6.932  -6.932
  272    HD2  PHE  39           HD2      PHE  39  44.742 -11.108 -11.108
  273    HE1  PHE  39           HE1      PHE  39  41.946  -7.380  -7.380
  274    HE2  PHE  39           HE2      PHE  39  42.952 -11.547 -11.547
  275    HZ   PHE  39           HZ       PHE  39  41.551  -9.680  -9.680
  276    H    GLY  40           HN       GLY  40  45.213  -6.200  -6.200
  277   1HA   GLY  40           HA2      GLY  40  46.006  -3.756  -3.756
  278   2HA   GLY  40           HA1      GLY  40  45.985  -4.064  -4.064
  279    H    MET  41           HN       MET  41  43.600  -5.014  -5.014
  280    HA   MET  41           HA       MET  41  41.560  -3.576  -3.576
  281   1HB   MET  41           HB2      MET  41  40.057  -5.217  -5.217
  282   2HB   MET  41           HB1      MET  41  41.506  -6.171  -6.171
  283   1HG   MET  41           HG2      MET  41  40.510  -6.583  -6.583
  284   2HG   MET  41           HG1      MET  41  41.175  -5.025  -5.025
  285   1HE   MET  41           HE2      MET  41  40.090  -3.694  -3.694
  286   2HE   MET  41           HE1      MET  41  38.380  -3.279  -3.279
  287   3HE   MET  41           HE3      MET  41  38.954  -4.807  -4.807
  288    H    TYR  42           HN       TYR  42  43.464  -2.856  -2.856
  289    HA   TYR  42           HA       TYR  42  41.671  -2.001  -2.001
  290   1HB   TYR  42           HB2      TYR  42  44.199  -2.453  -2.453
  291   2HB   TYR  42           HB1      TYR  42  44.395  -0.838  -0.838
  292    HD1  TYR  42           HD1      TYR  42  43.742   1.168   1.168
  293    HD2  TYR  42           HD2      TYR  42  43.321  -2.747  -2.747
  294    HE1  TYR  42           HE1      TYR  42  43.410   2.178   2.178
  295    HE2  TYR  42           HE2      TYR  42  42.984  -1.743  -1.743
  296    HH   TYR  42           HH       TYR  42  42.674   1.742   1.742
  297    H    SER  43           HN       SER  43  41.462  -0.895  -0.895
  298    HA   SER  43           HA       SER  43  41.457   1.979   1.979
  299   1HB   SER  43           HB2      SER  43  42.220   0.552   0.552
  300   2HB   SER  43           HB1      SER  43  40.877   1.617   1.617
  301    HG   SER  43           HG       SER  43  42.063   3.316   3.316
  302    H    GLU  44           HN       GLU  44  39.552   3.120   3.120
  303    HA   GLU  44           HA       GLU  44  37.043   2.000   2.000
  304   1HB   GLU  44           HB2      GLU  44  38.096   4.628   4.628
  305   2HB   GLU  44           HB1      GLU  44  36.656   4.418   4.418
  306   1HG   GLU  44           HG2      GLU  44  35.485   3.531   3.531
  307   2HG   GLU  44           HG1      GLU  44  36.893   4.048   4.048
  308    H    ASP  45           HN       ASP  45  38.235   3.377   3.377
  309    HA   ASP  45           HA       ASP  45  36.119   2.556   2.556
  310   1HB   ASP  45           HB2      ASP  45  38.104   3.968   3.968
  311   2HB   ASP  45           HB1      ASP  45  38.976   2.452   2.452
  312    H    ALA  46           HN       ALA  46  38.917   0.659   0.659
  313    HA   ALA  46           HA       ALA  46  38.502  -1.635  -1.635
  314   1HB   ALA  46           HB3      ALA  46  39.907  -1.035  -1.035
  315   2HB   ALA  46           HB2      ALA  46  39.453  -2.724  -2.724
  316   3HB   ALA  46           HB1      ALA  46  40.469  -1.918  -1.918
  317    H    ILE  47           HN       ILE  47  37.746  -1.614  -1.614
  318    HA   ILE  47           HA       ILE  47  35.857  -3.751  -3.751
  319    HB   ILE  47           HB       ILE  47  37.099  -3.000  -3.000
  320   1HG1  ILE  47          HG12      ILE  47  34.082  -3.180  -3.180
  321   2HG1  ILE  47          HG11      ILE  47  35.217  -4.528  -4.528
  322   1HG2  ILE  47          HG21      ILE  47  35.695  -0.574  -0.574
  323   2HG2  ILE  47          HG23      ILE  47  35.207  -1.154  -1.154
  324   3HG2  ILE  47          HG22      ILE  47  36.914  -0.866  -0.866
  325   1HD1  ILE  47          HD11      ILE  47  36.290  -3.051  -3.051
  326   2HD1  ILE  47          HD13      ILE  47  34.657  -2.392  -2.392
  327   3HD1  ILE  47          HD12      ILE  47  34.924  -4.113  -4.113
  328    H    ILE  48           HN       ILE  48  35.598  -0.510  -0.510
  329    HA   ILE  48           HA       ILE  48  32.739  -0.209  -0.209
  330    HB   ILE  48           HB       ILE  48  34.832   1.425   1.425
  331   1HG1  ILE  48          HG12      ILE  48  32.823   2.188   2.188
  332   2HG1  ILE  48          HG11      ILE  48  34.410   1.517   1.517
  333   1HG2  ILE  48          HG21      ILE  48  31.850   1.621   1.621
  334   2HG2  ILE  48          HG23      ILE  48  32.843   3.078   3.078
  335   3HG2  ILE  48          HG22      ILE  48  33.086   1.813   1.813
  336   1HD1  ILE  48          HD13      ILE  48  35.202   3.442   3.442
  337   2HD1  ILE  48          HD12      ILE  48  33.695   4.183   4.183
  338   3HD1  ILE  48          HD11      ILE  48  34.939   3.762   3.762
  339    H    TYR  49           HN       TYR  49  34.830  -1.252  -1.252
  340    HA   TYR  49           HA       TYR  49  32.550  -1.591  -1.591
  341   1HB   TYR  49           HB2      TYR  49  34.621  -0.781  -0.781
  342   2HB   TYR  49           HB1      TYR  49  35.523  -2.128  -2.128
  343    HD1  TYR  49           HD1      TYR  49  35.162  -4.438  -4.438
  344    HD2  TYR  49           HD2      TYR  49  33.182  -1.088  -1.088
  345    HE1  TYR  49           HE1      TYR  49  34.549  -5.849  -5.849
  346    HE2  TYR  49           HE2      TYR  49  32.563  -2.498  -2.498
  347    HH   TYR  49           HH       TYR  49  33.970  -5.468  -5.468
  348    H    GLN  50           HN       GLN  50  34.278  -3.260  -3.260
  349    HA   GLN  50           HA       GLN  50  33.603  -5.932  -5.932
  350   1HB   GLN  50           HB2      GLN  50  35.698  -6.146  -6.146
  351   2HB   GLN  50           HB1      GLN  50  35.454  -4.826  -4.826
  352   1HG   GLN  50           HG2      GLN  50  35.409  -6.496  -6.496
  353   2HG   GLN  50           HG1      GLN  50  33.746  -6.710  -6.710
  354   1HE2  GLN  50          HE22      GLN  50  35.001 -10.077 -10.077
  355   2HE2  GLN  50          HE21      GLN  50  34.321  -9.064  -9.064
  356    H    VAL  51           HN       VAL  51  32.330  -3.500  -3.500
  357    HA   VAL  51           HA       VAL  51  30.612  -5.379  -5.379
  358    HB   VAL  51           HB       VAL  51  31.027  -2.380  -2.380
  359   1HG1  VAL  51          HG13      VAL  51  28.811  -4.041  -4.041
  360   2HG1  VAL  51          HG12      VAL  51  29.565  -3.101  -3.101
  361   3HG1  VAL  51          HG11      VAL  51  28.921  -2.286  -2.286
  362   1HG2  VAL  51          HG22      VAL  51  32.643  -4.215  -4.215
  363   2HG2  VAL  51          HG21      VAL  51  32.237  -2.760  -2.760
  364   3HG2  VAL  51          HG23      VAL  51  31.404  -4.276  -4.276
  365    H    GLN  52           HN       GLN  52  30.396  -2.638  -2.638
  366    HA   GLN  52           HA       GLN  52  27.559  -2.528  -2.528
  367   1HB   GLN  52           HB2      GLN  52  29.844  -1.323  -1.323
  368   2HB   GLN  52           HB1      GLN  52  28.699  -1.783  -1.783
  369   1HG   GLN  52           HG2      GLN  52  27.019  -0.401  -0.401
  370   2HG   GLN  52           HG1      GLN  52  27.664  -0.423  -0.423
  371   1HE2  GLN  52          HE22      GLN  52  29.842   1.894   1.894
  372   2HE2  GLN  52          HE21      GLN  52  29.408   0.305   0.305
  373    H    HIS  53           HN       HIS  53  29.769  -4.851  -4.851
  374    HA   HIS  53           HA       HIS  53  27.597  -6.050  -6.050
  375   1HB   HIS  53           HB2      HIS  53  30.194  -6.178  -6.178
  376   2HB   HIS  53           HB1      HIS  53  28.622  -5.938  -5.938
  377    HD1  HIS  53           HD1      HIS  53  28.538  -3.719  -3.719
  378    HD2  HIS  53           HD2      HIS  53  30.814  -3.551  -3.551
  379    HE1  HIS  53           HE1      HIS  53  29.318  -1.320  -1.320
  380    H    GLY  54           HN       GLY  54  29.289  -6.471  -6.471
  381   1HA   GLY  54           HA2      GLY  54  30.300  -8.318  -8.318
  382   2HA   GLY  54           HA1      GLY  54  29.529  -9.286  -9.286
  383    H    LYS  55           HN       LYS  55  31.038 -10.437 -10.437
  384    HA   LYS  55           HA       LYS  55  32.849  -9.836  -9.836
  385   1HB   LYS  55           HB2      LYS  55  33.845  -8.805  -8.805
  386   2HB   LYS  55           HB1      LYS  55  34.975  -9.921  -9.921
  387   1HG   LYS  55           HG2      LYS  55  34.968  -7.311  -7.311
  388   2HG   LYS  55           HG1      LYS  55  35.371  -8.557  -8.557
  389   1HD   LYS  55           HD2      LYS  55  32.486  -8.015  -8.015
  390   2HD   LYS  55           HD1      LYS  55  33.430  -6.597  -6.597
  391   1HE   LYS  55           HE2      LYS  55  34.390  -7.706  -7.706
  392   2HE   LYS  55           HE1      LYS  55  33.853  -9.288  -9.288
  393   1HZ   LYS  55           HZ2      LYS  55  31.861  -7.192  -7.192
  394   2HZ   LYS  55           HZ1      LYS  55  32.530  -8.049  -8.049
  395   3HZ   LYS  55           HZ3      LYS  55  31.697  -8.882  -8.882
  396    H    ASN  56           HN       ASN  56  33.779 -11.686 -11.686
  397    HA   ASN  56           HA       ASN  56  34.247 -13.974 -13.974
  398   1HB   ASN  56           HB2      ASN  56  34.892 -13.382 -13.382
  399   2HB   ASN  56           HB1      ASN  56  35.144 -14.973 -14.973
  400   1HD2  ASN  56          HD22      ASN  56  37.412 -11.855 -11.855
  401   2HD2  ASN  56          HD21      ASN  56  35.831 -11.540 -11.540
  402    H    ALA  57           HN       ALA  57  33.200 -14.203 -14.203
  403    HA   ALA  57           HA       ALA  57  30.577 -15.302 -15.302
  404   1HB   ALA  57           HB1      ALA  57  32.620 -16.882 -16.882
  405   2HB   ALA  57           HB3      ALA  57  31.698 -16.539 -16.539
  406   3HB   ALA  57           HB2      ALA  57  30.908 -17.296 -17.296
  407    H    MET  58           HN       MET  58  31.053 -12.665 -12.665
  408    HA   MET  58           HA       MET  58  29.899 -12.728 -12.728
  409   1HB   MET  58           HB2      MET  58  31.999 -11.619 -11.619
  410   2HB   MET  58           HB1      MET  58  31.629 -10.676 -10.676
  411   1HG   MET  58           HG2      MET  58  29.740  -9.610  -9.610
  412   2HG   MET  58           HG1      MET  58  30.405 -10.422 -10.422
  413   1HE   MET  58           HE3      MET  58  30.353  -8.194  -8.194
  414   2HE   MET  58           HE2      MET  58  31.461  -6.859  -6.859
  415   3HE   MET  58           HE1      MET  58  30.096  -7.128  -7.128
  416    HA   PRO  59           HA       PRO  59  26.205 -11.101 -11.101
  417   1HB   PRO  59           HB2      PRO  59  25.107 -10.225 -10.225
  418   2HB   PRO  59           HB1      PRO  59  25.142 -11.914 -11.914
  419   1HG   PRO  59           HG2      PRO  59  26.768 -10.492 -10.492
  420   2HG   PRO  59           HG1      PRO  59  26.338 -12.208 -12.208
  421   1HD   PRO  59           HD2      PRO  59  28.814 -11.071 -11.071
  422   2HD   PRO  59           HD1      PRO  59  28.284 -12.710 -12.710
  423    H    ALA  60           HN       ALA  60  26.424  -9.264  -9.264
  424    HA   ALA  60           HA       ALA  60  27.455  -6.767  -6.767
  425   1HB   ALA  60           HB1      ALA  60  26.353  -7.507  -7.507
  426   2HB   ALA  60           HB3      ALA  60  24.788  -7.333  -7.333
  427   3HB   ALA  60           HB2      ALA  60  25.795  -5.913  -5.913
  428    H    PHE  61           HN       PHE  61  26.478  -4.711  -4.711
  429    HA   PHE  61           HA       PHE  61  24.133  -4.891  -4.891
  430   1HB   PHE  61           HB2      PHE  61  26.845  -3.915  -3.915
  431   2HB   PHE  61           HB1      PHE  61  25.374  -3.413  -3.413
  432    HD1  PHE  61           HD1      PHE  61  23.921  -6.156  -6.156
  433    HD2  PHE  61           HD2      PHE  61  27.737  -5.094  -5.094
  434    HE1  PHE  61           HE1      PHE  61  23.934  -8.250  -8.250
  435    HE2  PHE  61           HE2      PHE  61  27.753  -7.198  -7.198
  436    HZ   PHE  61           HZ       PHE  61  25.851  -8.773  -8.773
  437    H    ALA  62           HN       ALA  62  25.124  -3.602  -3.602
  438    HA   ALA  62           HA       ALA  62  24.988  -0.782  -0.782
  439   1HB   ALA  62           HB3      ALA  62  25.707  -2.235  -2.235
  440   2HB   ALA  62           HB2      ALA  62  24.014  -2.008  -2.008
  441   3HB   ALA  62           HB1      ALA  62  25.060  -0.608  -0.608
  442    H    GLY  63           HN       GLY  63  22.654  -3.124  -3.124
  443   1HA   GLY  63           HA2      GLY  63  20.511  -1.095  -1.095
  444   2HA   GLY  63           HA1      GLY  63  20.277  -2.572  -2.572
  445    H    ARG  64           HN       ARG  64  22.204  -2.955  -2.955
  446    HA   ARG  64           HA       ARG  64  19.970  -4.418  -4.418
  447   1HB   ARG  64           HB2      ARG  64  22.444  -5.255  -5.255
  448   2HB   ARG  64           HB1      ARG  64  22.746  -4.776  -4.776
  449   1HG   ARG  64           HG2      ARG  64  20.719  -6.780  -6.780
  450   2HG   ARG  64           HG1      ARG  64  22.077  -7.079  -7.079
  451   1HD   ARG  64           HD2      ARG  64  21.032  -6.049  -6.049
  452   2HD   ARG  64           HD1      ARG  64  19.998  -5.067  -5.067
  453    HE   ARG  64           HE       ARG  64  18.932  -7.421  -7.421
  454   1HH1  ARG  64          HH11      ARG  64  20.741  -8.327  -8.327
  455   2HH1  ARG  64          HH12      ARG  64  19.522  -8.470  -8.470
  456   1HH2  ARG  64          HH21      ARG  64  17.125  -6.741  -6.741
  457   2HH2  ARG  64          HH22      ARG  64  17.475  -7.572  -7.572
  458    H    LEU  65           HN       LEU  65  22.927  -2.637  -2.637
  459    HA   LEU  65           HA       LEU  65  22.003  -1.877  -1.877
  460   1HB   LEU  65           HB2      LEU  65  24.243  -0.644  -0.644
  461   2HB   LEU  65           HB1      LEU  65  24.063  -0.652  -0.652
  462    HG   LEU  65           HG       LEU  65  24.382  -3.145  -3.145
  463   1HD1  LEU  65          HD12      LEU  65  26.330  -1.227  -1.227
  464   2HD1  LEU  65          HD11      LEU  65  26.565  -2.665  -2.665
  465   3HD1  LEU  65          HD13      LEU  65  26.603  -2.792  -2.792
  466   1HD2  LEU  65          HD23      LEU  65  23.854  -2.577  -2.577
  467   2HD2  LEU  65          HD22      LEU  65  23.464  -4.007  -4.007
  468   3HD2  LEU  65          HD21      LEU  65  25.093  -3.791  -3.791
  469    H    THR  66           HN       THR  66  22.977   0.842   0.842
  470    HA   THR  66           HA       THR  66  20.483   2.050   2.050
  471    HB   THR  66           HB       THR  66  22.537   2.938   2.938
  472    HG1  THR  66           HG1      THR  66  20.863   2.768   2.768
  473   1HG2  THR  66          HG23      THR  66  20.639   4.711   4.711
  474   2HG2  THR  66          HG22      THR  66  21.342   5.175   5.175
  475   3HG2  THR  66          HG21      THR  66  22.386   4.885   4.885
  476    H    ASP  67           HN       ASP  67  23.918   2.920   2.920
  477    HA   ASP  67           HA       ASP  67  24.726   3.078   3.078
  478   1HB   ASP  67           HB2      ASP  67  22.851   4.377   4.377
  479   2HB   ASP  67           HB1      ASP  67  22.948   5.450   5.450
  480    H    GLU  68           HN       GLU  68  24.216   5.378   5.378
  481    HA   GLU  68           HA       GLU  68  26.931   6.408   6.408
  482   1HB   GLU  68           HB2      GLU  68  25.209   7.791   7.791
  483   2HB   GLU  68           HB1      GLU  68  24.646   6.481   6.481
  484   1HG   GLU  68           HG2      GLU  68  26.084   8.262   8.262
  485   2HG   GLU  68           HG1      GLU  68  26.631   6.600   6.600
  486    H    GLN  69           HN       GLN  69  25.856   3.410   3.410
  487    HA   GLN  69           HA       GLN  69  27.757   2.886   2.886
  488   1HB   GLN  69           HB2      GLN  69  25.879   0.773   0.773
  489   2HB   GLN  69           HB1      GLN  69  26.324   1.383   1.383
  490   1HG   GLN  69           HG2      GLN  69  24.354   2.609   2.609
  491   2HG   GLN  69           HG1      GLN  69  23.986   1.916   1.916
  492   1HE2  GLN  69          HE22      GLN  69  26.165   4.931   4.931
  493   2HE2  GLN  69          HE21      GLN  69  26.679   3.323   3.323
  494    H    ILE  70           HN       ILE  70  26.709   2.035   2.035
  495    HA   ILE  70           HA       ILE  70  28.584  -0.139  -0.139
  496    HB   ILE  70           HB       ILE  70  27.805   1.945   1.945
  497   1HG1  ILE  70          HG12      ILE  70  25.824   0.866   0.866
  498   2HG1  ILE  70          HG11      ILE  70  25.967   0.461   0.461
  499   1HG2  ILE  70          HG22      ILE  70  29.663  -0.102  -0.102
  500   2HG2  ILE  70          HG21      ILE  70  28.228  -0.846  -0.846
  501   3HG2  ILE  70          HG23      ILE  70  28.885   0.636   0.636
  502   1HD1  ILE  70          HD11      ILE  70  27.254  -1.309  -1.309
  503   2HD1  ILE  70          HD13      ILE  70  25.526  -1.453  -1.453
  504   3HD1  ILE  70          HD12      ILE  70  26.688  -1.720  -1.720
  505    H    GLN  71           HN       GLN  71  28.685   3.246   3.246
  506    HA   GLN  71           HA       GLN  71  31.472   3.622   3.622
  507   1HB   GLN  71           HB2      GLN  71  29.259   5.387   5.387
  508   2HB   GLN  71           HB1      GLN  71  30.878   5.976   5.976
  509   1HG   GLN  71           HG2      GLN  71  29.883   4.460   4.460
  510   2HG   GLN  71           HG1      GLN  71  28.755   5.750   5.750
  511   1HE2  GLN  71          HE22      GLN  71  31.267   8.339   8.339
  512   2HE2  GLN  71          HE21      GLN  71  30.049   7.935   7.935
  513    H    ASP  72           HN       ASP  72  29.605   4.742   4.742
  514    HA   ASP  72           HA       ASP  72  31.545   5.035   5.035
  515   1HB   ASP  72           HB2      ASP  72  29.234   5.700   5.700
  516   2HB   ASP  72           HB1      ASP  72  28.704   4.018   4.018
  517    H    VAL  73           HN       VAL  73  29.620   2.091   2.091
  518    HA   VAL  73           HA       VAL  73  30.916   0.421   0.421
  519    HB   VAL  73           HB       VAL  73  29.903  -0.502  -0.502
  520   1HG1  VAL  73          HG13      VAL  73  31.079  -1.875  -1.875
  521   2HG1  VAL  73          HG12      VAL  73  29.373  -1.994  -1.994
  522   3HG1  VAL  73          HG11      VAL  73  29.927  -2.579  -2.579
  523   1HG2  VAL  73          HG22      VAL  73  28.331   1.058   1.058
  524   2HG2  VAL  73          HG21      VAL  73  27.694  -0.560  -0.560
  525   3HG2  VAL  73          HG23      VAL  73  28.310  -0.085  -0.085
  526    H    ALA  74           HN       ALA  74  31.683   1.209   1.209
  527    HA   ALA  74           HA       ALA  74  33.863  -0.594  -0.594
  528   1HB   ALA  74           HB3      ALA  74  32.844   1.739   1.739
  529   2HB   ALA  74           HB2      ALA  74  34.594   1.890   1.890
  530   3HB   ALA  74           HB1      ALA  74  33.900   0.479   0.479
  531    H    ALA  75           HN       ALA  75  33.968   2.822   2.822
  532    HA   ALA  75           HA       ALA  75  36.648   2.822   2.822
  533   1HB   ALA  75           HB2      ALA  75  34.246   4.551   4.551
  534   2HB   ALA  75           HB1      ALA  75  35.358   4.699   4.699
  535   3HB   ALA  75           HB3      ALA  75  35.935   4.997   4.997
  536    H    TYR  76           HN       TYR  76  33.727   1.507   1.507
  537    HA   TYR  76           HA       TYR  76  34.252   1.488   1.488
  538   1HB   TYR  76           HB2      TYR  76  32.004   1.089   1.089
  539   2HB   TYR  76           HB1      TYR  76  32.601  -0.447  -0.447
  540    HD1  TYR  76           HD1      TYR  76  31.654   1.358   1.358
  541    HD2  TYR  76           HD2      TYR  76  33.004  -2.321  -2.321
  542    HE1  TYR  76           HE1      TYR  76  31.087   0.291   0.291
  543    HE2  TYR  76           HE2      TYR  76  32.437  -3.448  -3.448
  544    HH   TYR  76           HH       TYR  76  31.986  -1.902  -1.902
  545    H    VAL  77           HN       VAL  77  34.972  -0.682  -0.682
  546    HA   VAL  77           HA       VAL  77  36.192  -2.666  -2.666
  547    HB   VAL  77           HB       VAL  77  36.305  -2.266  -2.266
  548   1HG1  VAL  77          HG11      VAL  77  37.754  -4.051  -4.051
  549   2HG1  VAL  77          HG13      VAL  77  36.827  -4.934  -4.934
  550   3HG1  VAL  77          HG12      VAL  77  38.018  -3.737  -3.737
  551   1HG2  VAL  77          HG22      VAL  77  34.350  -3.419  -3.419
  552   2HG2  VAL  77          HG21      VAL  77  34.208  -3.079  -3.079
  553   3HG2  VAL  77          HG23      VAL  77  34.912  -4.600  -4.600
  554    H    LEU  78           HN       LEU  78  37.133   0.262   0.262
  555    HA   LEU  78           HA       LEU  78  40.009  -0.340  -0.340
  556   1HB   LEU  78           HB2      LEU  78  38.952   2.409   2.409
  557   2HB   LEU  78           HB1      LEU  78  40.405   1.622   1.622
  558    HG   LEU  78           HG       LEU  78  37.547   1.257   1.257
  559   1HD1  LEU  78          HD11      LEU  78  40.201   1.743   1.743
  560   2HD1  LEU  78          HD13      LEU  78  38.695   1.435   1.435
  561   3HD1  LEU  78          HD12      LEU  78  38.854   2.873   2.873
  562   1HD2  LEU  78          HD21      LEU  78  39.569  -0.827  -0.827
  563   2HD2  LEU  78          HD23      LEU  78  37.861  -0.968  -0.968
  564   3HD2  LEU  78          HD22      LEU  78  39.056  -0.607  -0.607
  565    H    ASP  79           HN       ASP  79  37.494   0.629   0.629
  566    HA   ASP  79           HA       ASP  79  39.157   2.337   2.337
  567   1HB   ASP  79           HB2      ASP  79  36.612   2.657   2.657
  568   2HB   ASP  79           HB1      ASP  79  36.355   1.542   1.542
  569    H    GLN  80           HN       GLN  80  37.073  -0.506  -0.506
  570    HA   GLN  80           HA       GLN  80  37.849  -1.358  -1.358
  571   1HB   GLN  80           HB2      GLN  80  36.815  -3.022  -3.022
  572   2HB   GLN  80           HB1      GLN  80  36.720  -3.410  -3.410
  573   1HG   GLN  80           HG2      GLN  80  35.543  -0.840  -0.840
  574   2HG   GLN  80           HG1      GLN  80  34.637  -2.347  -2.347
  575   1HE2  GLN  80          HE22      GLN  80  34.552  -0.497  -0.497
  576   2HE2  GLN  80          HE21      GLN  80  34.998   0.246   0.246
  577    H    ALA  81           HN       ALA  81  38.900  -2.355  -2.355
  578    HA   ALA  81           HA       ALA  81  40.857  -4.254  -4.254
  579   1HB   ALA  81           HB2      ALA  81  39.797  -4.123  -4.123
  580   2HB   ALA  81           HB1      ALA  81  40.945  -2.825  -2.825
  581   3HB   ALA  81           HB3      ALA  81  41.528  -4.443  -4.443
  582    H    ALA  82           HN       ALA  82  40.775  -0.863  -0.863
  583    HA   ALA  82           HA       ALA  82  43.595  -0.422  -0.422
  584   1HB   ALA  82           HB1      ALA  82  41.209   1.205   1.205
  585   2HB   ALA  82           HB3      ALA  82  42.637   1.838   1.838
  586   3HB   ALA  82           HB2      ALA  82  42.663   1.575   1.575
  587    H    LYS  83           HN       LYS  83  41.921  -1.703  -1.703
  588    HA   LYS  83           HA       LYS  83  44.235  -1.574  -1.574
  589   1HB   LYS  83           HB2      LYS  83  43.429  -0.010  -0.010
  590   2HB   LYS  83           HB1      LYS  83  43.622   0.799   0.799
  591   1HG   LYS  83           HG2      LYS  83  40.967  -0.375  -0.375
  592   2HG   LYS  83           HG1      LYS  83  41.313   0.780   0.780
  593   1HD   LYS  83           HD2      LYS  83  41.942   1.469   1.469
  594   2HD   LYS  83           HD1      LYS  83  40.302   1.663   1.663
  595   1HE   LYS  83           HE2      LYS  83  42.084   2.748   2.748
  596   2HE   LYS  83           HE1      LYS  83  42.557   3.394   3.394
  597   1HZ   LYS  83           HZ3      LYS  83  39.812   3.462   3.462
  598   2HZ   LYS  83           HZ2      LYS  83  40.265   3.989   3.989
  599   3HZ   LYS  83           HZ1      LYS  83  40.860   4.785   4.785
  600    H    GLY  84           HN       GLY  84  42.799  -3.811  -3.811
  601   1HA   GLY  84           HA2      GLY  84  42.040  -5.529  -5.529
  602   2HA   GLY  84           HA1      GLY  84  41.642  -4.288  -4.288
  603    H    TRP  85           HN       TRP  85  40.657  -5.566  -5.566
  604    HA   TRP  85           HA       TRP  85  38.274  -4.347  -4.347
  605   1HB   TRP  85           HB2      TRP  85  39.463  -6.836  -6.836
  606   2HB   TRP  85           HB1      TRP  85  37.802  -7.178  -7.178
  607    HD1  TRP  85           HD1      TRP  85  39.788  -6.116  -6.116
  608    HE1  TRP  85           HE1      TRP  85  38.255  -5.149  -5.149
  609    HE3  TRP  85           HE3      TRP  85  35.528  -5.513  -5.513
  610    HZ2  TRP  85           HZ2      TRP  85  35.548  -4.269  -4.269
  611    HZ3  TRP  85           HZ3      TRP  85  33.499  -4.589  -4.589
  612    HH2  TRP  85           HH2      TRP  85  33.491  -3.939  -3.939
  613    H    ALA  86           HN       ALA  86  37.366  -3.652  -3.652
  614    HA   ALA  86           HA       ALA  86  35.862  -3.838  -3.838
  615   1HB   ALA  86           HB1      ALA  86  34.529  -4.775  -4.775
  616   2HB   ALA  86           HB3      ALA  86  34.860  -6.362  -6.362
  617   3HB   ALA  86           HB2      ALA  86  33.946  -5.168  -5.168
  618    H    GLY  87           HN       GLY  87  38.330  -4.819  -4.819
  619   1HA   GLY  87           HA2      GLY  87  38.712  -7.442  -7.442
  620   2HA   GLY  87           HA1      GLY  87  39.317  -6.082  -6.082
  621    HHA  HEC  88           HA       HEM  88  36.401 -10.527 -10.527
  622    HHB  HEC  88           HB       HEM  88  33.941  -5.615  -5.615
  623    HHC  HEC  88           HC       HEM  88  28.298  -8.511  -8.511
  624    HHD  HEC  88           HD       HEM  88  30.852 -13.493 -13.493
  625   1HMA  HEC  88          HMA1      HEM  88  37.619  -6.259  -6.259
  626   2HMA  HEC  88          HMA2      HEM  88  36.078  -5.589  -5.589
  627   3HMA  HEC  88          HMA3      HEM  88  36.619  -5.142  -5.142
  628   1HAA  HEC  88          HAA1      HEM  88  38.151  -9.243  -9.243
  629   2HAA  HEC  88          HAA2      HEM  88  38.345  -7.455  -7.455
  630   1HBA  HEC  88          HBA1      HEM  88  36.757  -8.655  -8.655
  631   2HBA  HEC  88          HBA2      HEM  88  37.517  -7.019  -7.019
  632   1HMB  HEC  88          HMB1      HEM  88  31.411  -4.682  -4.682
  633   2HMB  HEC  88          HMB2      HEM  88  31.018  -3.817  -3.817
  634   3HMB  HEC  88          HMB3      HEM  88  32.703  -4.396  -4.396
  635    HAB  HEC  88           HAB      HEM  88  28.027  -6.764  -6.764
  636   1HBB  HEC  88          HBB1      HEM  88  28.783  -3.832  -3.832
  637   2HBB  HEC  88          HBB2      HEM  88  28.883  -4.781  -4.781
  638   3HBB  HEC  88          HBB3      HEM  88  27.322  -4.680  -4.680
  639   1HMC  HEC  88          HMC1      HEM  88  26.288 -11.078 -11.078
  640   2HMC  HEC  88          HMC2      HEM  88  26.889  -9.731  -9.731
  641   3HMC  HEC  88          HMC3      HEM  88  26.897 -11.418 -11.418
  642    HAC  HEC  88           HAC      HEM  88  27.520 -13.538 -13.538
  643   1HBC  HEC  88          HBC1      HEM  88  30.333 -14.390 -14.390
  644   2HBC  HEC  88          HBC2      HEM  88  28.947 -15.546 -15.546
  645   3HBC  HEC  88          HBC3      HEM  88  29.381 -14.639 -14.639
  646   1HMD  HEC  88          HMD1      HEM  88  32.142 -14.845 -14.845
  647   2HMD  HEC  88          HMD2      HEM  88  33.016 -14.453 -14.453
  648   3HMD  HEC  88          HMD3      HEM  88  33.907 -15.205 -15.205
  649   1HAD  HEC  88          HAD1      HEM  88  36.068 -13.981 -13.981
  650   2HAD  HEC  88          HAD2      HEM  88  36.682 -12.286 -12.286
  651   1HBD  HEC  88          HBD1      HEM  88  35.372 -13.907 -13.907
  652   2HBD  HEC  88          HBD2      HEM  88  34.825 -12.187 -12.187

  Start of MODEL    5
    1   1H    ALA   1           HT2      ALA   1  27.069  10.823  10.823
    2   2H    ALA   1           HT1      ALA   1  27.320  12.169  12.169
    3   3H    ALA   1           HT3      ALA   1  26.096  11.054  11.054
    4    HA   ALA   1           HA       ALA   1  27.524   9.494   9.494
    5   1HB   ALA   1           HB3      ALA   1  28.210  12.255  12.255
    6   2HB   ALA   1           HB2      ALA   1  29.595  11.182  11.182
    7   3HB   ALA   1           HB1      ALA   1  28.099  10.861  10.861
    8    H    ASP   2           HN       ASP   2  28.003   9.214   9.214
    9    HA   ASP   2           HA       ASP   2  30.959   9.432   9.432
   10   1HB   ASP   2           HB2      ASP   2  29.199  10.269  10.269
   11   2HB   ASP   2           HB1      ASP   2  29.036   8.552   8.552
   12    H    LEU   3           HN       LEU   3  32.091   7.515   7.515
   13    HA   LEU   3           HA       LEU   3  31.246   5.076   5.076
   14   1HB   LEU   3           HB2      LEU   3  33.335   5.292   5.292
   15   2HB   LEU   3           HB1      LEU   3  33.241   4.094   4.094
   16    HG   LEU   3           HG       LEU   3  33.254   6.630   6.630
   17   1HD1  LEU   3          HD11      LEU   3  34.670   6.666   6.666
   18   2HD1  LEU   3          HD13      LEU   3  35.801   6.863   6.863
   19   3HD1  LEU   3          HD12      LEU   3  34.442   7.974   7.974
   20   1HD2  LEU   3          HD22      LEU   3  35.455   4.572   4.572
   21   2HD2  LEU   3          HD21      LEU   3  34.196   4.524   4.524
   22   3HD2  LEU   3          HD23      LEU   3  35.403   5.809   5.809
   23    H    ALA   4           HN       ALA   4  30.395   6.552   6.552
   24    HA   ALA   4           HA       ALA   4  29.992   4.312   4.312
   25   1HB   ALA   4           HB2      ALA   4  28.618   6.990   6.990
   26   2HB   ALA   4           HB1      ALA   4  28.000   5.789   5.789
   27   3HB   ALA   4           HB3      ALA   4  29.634   6.424   6.424
   28    H    ASN   5           HN       ASN   5  28.392   5.639   5.639
   29    HA   ASN   5           HA       ASN   5  25.990   4.028   4.028
   30   1HB   ASN   5           HB2      ASN   5  27.166   6.102   6.102
   31   2HB   ASN   5           HB1      ASN   5  26.562   4.799   4.799
   32   1HD2  ASN   5          HD22      ASN   5  23.684   6.217   6.217
   33   2HD2  ASN   5          HD21      ASN   5  25.186   5.695   5.695
   34    H    GLY   6           HN       GLY   6  29.187   3.826   3.826
   35   1HA   GLY   6           HA2      GLY   6  28.858   1.624   1.624
   36   2HA   GLY   6           HA1      GLY   6  30.346   1.947   1.947
   37    H    ALA   7           HN       ALA   7  29.889   1.466   1.466
   38    HA   ALA   7           HA       ALA   7  29.694  -1.318  -1.318
   39   1HB   ALA   7           HB2      ALA   7  29.941   0.978   0.978
   40   2HB   ALA   7           HB1      ALA   7  28.754  -0.133  -0.133
   41   3HB   ALA   7           HB3      ALA   7  30.385  -0.701  -0.701
   42    H    LYS   8           HN       LYS   8  27.162   1.147   1.147
   43    HA   LYS   8           HA       LYS   8  25.104  -0.464  -0.464
   44   1HB   LYS   8           HB2      LYS   8  24.544   1.797   1.797
   45   2HB   LYS   8           HB1      LYS   8  25.168   1.960   1.960
   46   1HG   LYS   8           HG2      LYS   8  22.871   0.096   0.096
   47   2HG   LYS   8           HG1      LYS   8  22.520   1.811   1.811
   48   1HD   LYS   8           HD2      LYS   8  23.638   0.402   0.402
   49   2HD   LYS   8           HD1      LYS   8  22.151   1.338   1.338
   50   1HE   LYS   8           HE2      LYS   8  24.105   3.132   3.132
   51   2HE   LYS   8           HE1      LYS   8  24.878   2.241   2.241
   52   1HZ   LYS   8           HZ3      LYS   8  22.873   2.670   2.670
   53   2HZ   LYS   8           HZ2      LYS   8  22.261   3.641   3.641
   54   3HZ   LYS   8           HZ1      LYS   8  23.686   4.092   4.092
   55    H    VAL   9           HN       VAL   9  26.322  -0.135  -0.135
   56    HA   VAL   9           HA       VAL   9  24.254  -1.937  -1.937
   57    HB   VAL   9           HB       VAL   9  26.627  -0.506  -0.506
   58   1HG1  VAL   9          HG12      VAL   9  26.266  -2.824  -2.824
   59   2HG1  VAL   9          HG11      VAL   9  24.677  -2.247  -2.247
   60   3HG1  VAL   9          HG13      VAL   9  26.133  -1.465  -1.465
   61   1HG2  VAL   9          HG23      VAL   9  23.695  -0.173  -0.173
   62   2HG2  VAL   9          HG22      VAL   9  24.960   1.045   1.045
   63   3HG2  VAL   9          HG21      VAL   9  24.401   0.137   0.137
   64    H    PHE  10           HN       PHE  10  27.791  -2.096  -2.096
   65    HA   PHE  10           HA       PHE  10  28.088  -4.711  -4.711
   66   1HB   PHE  10           HB2      PHE  10  30.019  -3.279  -3.279
   67   2HB   PHE  10           HB1      PHE  10  29.688  -3.309  -3.309
   68    HD1  PHE  10           HD1      PHE  10  29.534  -5.624  -5.624
   69    HD2  PHE  10           HD2      PHE  10  31.431  -4.944  -4.944
   70    HE1  PHE  10           HE1      PHE  10  30.760  -7.738  -7.738
   71    HE2  PHE  10           HE2      PHE  10  32.666  -7.082  -7.082
   72    HZ   PHE  10           HZ       PHE  10  32.336  -8.483  -8.483
   73    H    SER  11           HN       SER  11  26.917  -3.596  -3.596
   74    HA   SER  11           HA       SER  11  27.067  -6.274  -6.274
   75   1HB   SER  11           HB2      SER  11  26.436  -5.260  -5.260
   76   2HB   SER  11           HB1      SER  11  27.239  -3.917  -3.917
   77    HG   SER  11           HG       SER  11  25.012  -3.513  -3.513
   78    H    GLY  12           HN       GLY  12  25.308  -5.466  -5.466
   79   1HA   GLY  12           HA2      GLY  12  22.986  -6.984  -6.984
   80   2HA   GLY  12           HA1      GLY  12  22.645  -5.366  -5.366
   81    H    ASN  13           HN       ASN  13  25.294  -6.688  -6.688
   82    HA   ASN  13           HA       ASN  13  23.647  -8.136  -8.136
   83   1HB   ASN  13           HB2      ASN  13  25.242  -5.739  -5.739
   84   2HB   ASN  13           HB1      ASN  13  24.070  -6.688  -6.688
   85   1HD2  ASN  13          HD22      ASN  13  22.789  -3.572  -3.572
   86   2HD2  ASN  13          HD21      ASN  13  24.438  -3.895  -3.895
   87    H    CYS  14           HN       CYS  14  26.842  -6.634  -6.634
   88    HA   CYS  14           HA       CYS  14  28.207  -8.685  -8.685
   89   1HB   CYS  14           HB2      CYS  14  29.637  -7.012  -7.012
   90   2HB   CYS  14           HB1      CYS  14  30.162  -7.495  -7.495
   91    H    ALA  15           HN       ALA  15  27.366  -8.143  -8.143
   92    HA   ALA  15           HA       ALA  15  29.011  -9.810  -9.810
   93   1HB   ALA  15           HB1      ALA  15  27.081  -8.546  -8.546
   94   2HB   ALA  15           HB3      ALA  15  25.996  -9.757  -9.757
   95   3HB   ALA  15           HB2      ALA  15  27.141 -10.210 -10.210
   96    H    ALA  16           HN       ALA  16  26.277 -10.846 -10.846
   97    HA   ALA  16           HA       ALA  16  26.313 -13.597 -13.597
   98   1HB   ALA  16           HB1      ALA  16  25.034 -11.925 -11.925
   99   2HB   ALA  16           HB3      ALA  16  25.723 -13.292 -13.292
  100   3HB   ALA  16           HB2      ALA  16  24.604 -13.574 -13.574
  101    H    CYS  17           HN       CYS  17  28.086 -11.915 -11.915
  102    HA   CYS  17           HA       CYS  17  29.670 -14.406 -14.406
  103   1HB   CYS  17           HB2      CYS  17  29.424 -11.996 -11.996
  104   2HB   CYS  17           HB1      CYS  17  30.288 -13.475 -13.475
  105    H    HIS  18           HN       HIS  18  30.074 -12.427 -12.427
  106    HA   HIS  18           HA       HIS  18  32.959 -12.121 -12.121
  107   1HB   HIS  18           HB2      HIS  18  31.080  -9.746  -9.746
  108   2HB   HIS  18           HB1      HIS  18  32.761  -9.598  -9.598
  109    HD1  HIS  18           HD1      HIS  18  34.601 -10.234 -10.234
  110    HD2  HIS  18           HD2      HIS  18  30.765  -9.922  -9.922
  111    HE1  HIS  18           HE1      HIS  18  34.865 -10.146 -10.146
  112    H    MET  19           HN       MET  19  30.558 -10.299 -10.299
  113    HA   MET  19           HA       MET  19  30.461  -9.894  -9.894
  114   1HB   MET  19           HB2      MET  19  30.098 -12.107 -12.107
  115   2HB   MET  19           HB1      MET  19  29.011 -11.775 -11.775
  116   1HG   MET  19           HG2      MET  19  30.373 -13.180 -13.180
  117   2HG   MET  19           HG1      MET  19  31.531 -13.462 -13.462
  118   1HE   MET  19           HE3      MET  19  31.580 -15.802 -15.802
  119   2HE   MET  19           HE2      MET  19  30.232 -16.933 -16.933
  120   3HE   MET  19           HE1      MET  19  30.549 -16.034 -16.034
  121    H    GLY  20           HN       GLY  20  32.348  -8.972  -8.972
  122   1HA   GLY  20           HA2      GLY  20  34.181  -9.019  -9.019
  123   2HA   GLY  20           HA1      GLY  20  34.209 -10.778 -10.778
  124    H    GLY  21           HN       GLY  21  34.292  -8.369  -8.369
  125   1HA   GLY  21           HA2      GLY  21  35.723  -8.320  -8.320
  126   2HA   GLY  21           HA1      GLY  21  36.943  -8.117  -8.117
  127    H    GLY  22           HN       GLY  22  34.973 -10.835 -10.835
  128   1HA   GLY  22           HA2      GLY  22  37.457 -12.308 -12.308
  129   2HA   GLY  22           HA1      GLY  22  36.417 -13.028 -13.028
  130    H    ASN  23           HN       ASN  23  36.922 -12.637 -12.637
  131    HA   ASN  23           HA       ASN  23  34.327 -13.019 -13.019
  132   1HB   ASN  23           HB2      ASN  23  36.878 -12.894 -12.894
  133   2HB   ASN  23           HB1      ASN  23  36.412 -14.567 -14.567
  134   1HD2  ASN  23          HD22      ASN  23  35.099 -12.035 -12.035
  135   2HD2  ASN  23          HD21      ASN  23  36.610 -12.079 -12.079
  136    H    VAL  24           HN       VAL  24  33.403 -15.107 -15.107
  137    HA   VAL  24           HA       VAL  24  34.184 -17.408 -17.408
  138    HB   VAL  24           HB       VAL  24  31.875 -18.019 -18.019
  139   1HG1  VAL  24          HG13      VAL  24  32.920 -15.777 -15.777
  140   2HG1  VAL  24          HG12      VAL  24  31.528 -15.083 -15.083
  141   3HG1  VAL  24          HG11      VAL  24  31.295 -16.361 -16.361
  142   1HG2  VAL  24          HG23      VAL  24  31.294 -15.768 -15.768
  143   2HG2  VAL  24          HG22      VAL  24  31.172 -17.492 -17.492
  144   3HG2  VAL  24          HG21      VAL  24  30.080 -16.751 -16.751
  145    H    VAL  25           HN       VAL  25  33.156 -16.331 -16.331
  146    HA   VAL  25           HA       VAL  25  32.956 -19.050 -19.050
  147    HB   VAL  25           HB       VAL  25  33.288 -16.528 -16.528
  148   1HG1  VAL  25          HG13      VAL  25  33.135 -19.136 -19.136
  149   2HG1  VAL  25          HG12      VAL  25  31.424 -18.713 -18.713
  150   3HG1  VAL  25          HG11      VAL  25  32.544 -17.804 -17.804
  151   1HG2  VAL  25          HG21      VAL  25  31.018 -17.436 -17.436
  152   2HG2  VAL  25          HG23      VAL  25  31.472 -15.804 -15.804
  153   3HG2  VAL  25          HG22      VAL  25  30.611 -16.855 -16.855
  154    H    MET  26           HN       MET  26  35.103 -16.382 -16.382
  155    HA   MET  26           HA       MET  26  37.072 -18.192 -18.192
  156   1HB   MET  26           HB2      MET  26  37.104 -15.252 -15.252
  157   2HB   MET  26           HB1      MET  26  38.551 -16.076 -16.076
  158   1HG   MET  26           HG2      MET  26  35.878 -16.073 -16.073
  159   2HG   MET  26           HG1      MET  26  37.222 -15.001 -15.001
  160   1HE   MET  26           HE1      MET  26  35.347 -17.693 -17.693
  161   2HE   MET  26           HE3      MET  26  36.323 -18.975 -18.975
  162   3HE   MET  26           HE2      MET  26  36.121 -18.908 -18.908
  163    H    ALA  27           HN       ALA  27  39.147 -18.732 -18.732
  164    HA   ALA  27           HA       ALA  27  39.251 -18.473 -18.473
  165   1HB   ALA  27           HB2      ALA  27  39.244 -20.783 -20.783
  166   2HB   ALA  27           HB1      ALA  27  40.962 -20.526 -20.526
  167   3HB   ALA  27           HB3      ALA  27  39.837 -20.659 -20.659
  168    H    ASN  28           HN       ASN  28  40.259 -16.278 -16.278
  169    HA   ASN  28           HA       ASN  28  43.000 -16.285 -16.285
  170   1HB   ASN  28           HB2      ASN  28  44.103 -16.011 -16.011
  171   2HB   ASN  28           HB1      ASN  28  43.146 -17.493 -17.493
  172   1HD2  ASN  28          HD22      ASN  28  40.681 -15.998 -15.998
  173   2HD2  ASN  28          HD21      ASN  28  40.812 -17.108 -17.108
  174    H    LYS  29           HN       LYS  29  40.587 -14.713 -14.713
  175    HA   LYS  29           HA       LYS  29  41.708 -12.057 -12.057
  176   1HB   LYS  29           HB2      LYS  29  39.036 -12.739 -12.739
  177   2HB   LYS  29           HB1      LYS  29  39.906 -11.215 -11.215
  178   1HG   LYS  29           HG2      LYS  29  41.648 -12.229 -12.229
  179   2HG   LYS  29           HG1      LYS  29  41.014 -13.845 -13.845
  180   1HD   LYS  29           HD2      LYS  29  39.294 -13.607 -13.607
  181   2HD   LYS  29           HD1      LYS  29  39.146 -11.872 -11.872
  182   1HE   LYS  29           HE2      LYS  29  40.041 -12.191 -12.191
  183   2HE   LYS  29           HE1      LYS  29  41.335 -11.564 -11.564
  184   1HZ   LYS  29           HZ2      LYS  29  42.078 -13.868 -13.868
  185   2HZ   LYS  29           HZ1      LYS  29  40.896 -14.401 -14.401
  186   3HZ   LYS  29           HZ3      LYS  29  42.152 -13.393 -13.393
  187    H    THR  30           HN       THR  30  41.200 -10.901 -10.901
  188    HA   THR  30           HA       THR  30  38.670 -11.608 -11.608
  189    HB   THR  30           HB       THR  30  41.086 -10.445 -10.445
  190    HG1  THR  30           HG1      THR  30  42.099 -12.262 -12.262
  191   1HG2  THR  30          HG23      THR  30  38.491 -11.397 -11.397
  192   2HG2  THR  30          HG22      THR  30  39.716 -12.429 -12.429
  193   3HG2  THR  30          HG21      THR  30  39.744 -10.688 -10.688
  194    H    LEU  31           HN       LEU  31  38.394  -9.568  -9.568
  195    HA   LEU  31           HA       LEU  31  38.173  -7.196  -7.196
  196   1HB   LEU  31           HB2      LEU  31  36.749  -8.153  -8.153
  197   2HB   LEU  31           HB1      LEU  31  36.799  -6.418  -6.418
  198    HG   LEU  31           HG       LEU  31  34.980  -8.287  -8.287
  199   1HD1  LEU  31          HD13      LEU  31  35.318  -5.527  -5.527
  200   2HD1  LEU  31          HD12      LEU  31  35.157  -5.859  -5.859
  201   3HD1  LEU  31          HD11      LEU  31  33.895  -6.380  -6.380
  202   1HD2  LEU  31          HD21      LEU  31  36.770  -8.952  -8.952
  203   2HD2  LEU  31          HD23      LEU  31  35.314  -8.300  -8.300
  204   3HD2  LEU  31          HD22      LEU  31  36.748  -7.294  -7.294
  205    H    LYS  32           HN       LYS  32  40.011  -8.427  -8.427
  206    HA   LYS  32           HA       LYS  32  40.548  -6.072  -6.072
  207   1HB   LYS  32           HB2      LYS  32  42.123  -8.589  -8.589
  208   2HB   LYS  32           HB1      LYS  32  42.837  -7.264  -7.264
  209   1HG   LYS  32           HG2      LYS  32  41.482  -7.614  -7.614
  210   2HG   LYS  32           HG1      LYS  32  40.085  -8.000  -8.000
  211   1HD   LYS  32           HD2      LYS  32  40.833  -9.987  -9.987
  212   2HD   LYS  32           HD1      LYS  32  41.046 -10.227 -10.227
  213   1HE   LYS  32           HE2      LYS  32  43.444  -9.385  -9.385
  214   2HE   LYS  32           HE1      LYS  32  43.161  -9.566  -9.566
  215   1HZ   LYS  32           HZ2      LYS  32  42.385 -11.909 -11.909
  216   2HZ   LYS  32           HZ1      LYS  32  43.215 -11.646 -11.646
  217   3HZ   LYS  32           HZ3      LYS  32  44.055 -11.595 -11.595
  218    H    LYS  33           HN       LYS  33  43.423  -7.278  -7.278
  219    HA   LYS  33           HA       LYS  33  43.602  -5.392  -5.392
  220   1HB   LYS  33           HB2      LYS  33  44.906  -3.644  -3.644
  221   2HB   LYS  33           HB1      LYS  33  43.607  -3.892  -3.892
  222   1HG   LYS  33           HG2      LYS  33  45.067  -5.250  -5.250
  223   2HG   LYS  33           HG1      LYS  33  46.363  -5.137  -5.137
  224   1HD   LYS  33           HD2      LYS  33  46.902  -3.482  -3.482
  225   2HD   LYS  33           HD1      LYS  33  46.160  -2.583  -2.583
  226   1HE   LYS  33           HE2      LYS  33  43.940  -2.900  -2.900
  227   2HE   LYS  33           HE1      LYS  33  44.944  -3.361  -3.361
  228   1HZ   LYS  33           HZ2      LYS  33  45.922  -1.001  -1.001
  229   2HZ   LYS  33           HZ1      LYS  33  44.296  -0.809  -0.809
  230   3HZ   LYS  33           HZ3      LYS  33  45.452  -1.250  -1.250
  231    H    GLU  34           HN       GLU  34  45.363  -7.126  -7.126
  232    HA   GLU  34           HA       GLU  34  47.889  -7.322  -7.322
  233   1HB   GLU  34           HB2      GLU  34  46.324  -8.906  -8.906
  234   2HB   GLU  34           HB1      GLU  34  47.552  -9.836  -9.836
  235   1HG   GLU  34           HG2      GLU  34  48.672  -7.299  -7.299
  236   2HG   GLU  34           HG1      GLU  34  47.930  -8.035  -8.035
  237    H    ALA  35           HN       ALA  35  44.931  -8.947  -8.947
  238    HA   ALA  35           HA       ALA  35  46.398 -10.555 -10.555
  239   1HB   ALA  35           HB3      ALA  35  44.326 -11.232 -11.232
  240   2HB   ALA  35           HB2      ALA  35  43.525 -11.024 -11.024
  241   3HB   ALA  35           HB1      ALA  35  44.853 -12.174 -12.174
  242    H    LEU  36           HN       LEU  36  43.159  -9.112  -9.112
  243    HA   LEU  36           HA       LEU  36  42.781  -8.765  -8.765
  244   1HB   LEU  36           HB2      LEU  36  41.546  -6.591  -6.591
  245   2HB   LEU  36           HB1      LEU  36  40.999  -8.062  -8.062
  246    HG   LEU  36           HG       LEU  36  43.106  -6.384  -6.384
  247   1HD1  LEU  36          HD12      LEU  36  41.076  -4.978  -4.978
  248   2HD1  LEU  36          HD11      LEU  36  40.166  -5.876  -5.876
  249   3HD1  LEU  36          HD13      LEU  36  41.533  -4.878  -4.878
  250   1HD2  LEU  36          HD21      LEU  36  41.457  -8.648  -8.648
  251   2HD2  LEU  36          HD23      LEU  36  42.730  -7.906  -7.906
  252   3HD2  LEU  36          HD22      LEU  36  41.075  -7.324  -7.324
  253    H    GLU  37           HN       GLU  37  44.777  -6.675  -6.675
  254    HA   GLU  37           HA       GLU  37  45.485  -4.997  -4.997
  255   1HB   GLU  37           HB2      GLU  37  45.628  -4.742  -4.742
  256   2HB   GLU  37           HB1      GLU  37  47.280  -4.640  -4.640
  257   1HG   GLU  37           HG2      GLU  37  45.268  -3.180  -3.180
  258   2HG   GLU  37           HG1      GLU  37  45.522  -2.540  -2.540
  259    H    GLN  38           HN       GLN  38  46.851  -7.683  -7.683
  260    HA   GLN  38           HA       GLN  38  49.512  -7.717  -7.717
  261   1HB   GLN  38           HB2      GLN  38  49.002  -9.563  -9.563
  262   2HB   GLN  38           HB1      GLN  38  47.440  -9.805  -9.805
  263   1HG   GLN  38           HG2      GLN  38  49.097 -11.582 -11.582
  264   2HG   GLN  38           HG1      GLN  38  48.497 -10.716 -10.716
  265   1HE2  GLN  38          HE22      GLN  38  52.021  -9.034  -9.034
  266   2HE2  GLN  38          HE21      GLN  38  50.674  -8.978  -8.978
  267    H    PHE  39           HN       PHE  39  46.630  -8.718  -8.718
  268    HA   PHE  39           HA       PHE  39  48.123  -9.134  -9.134
  269   1HB   PHE  39           HB2      PHE  39  45.204  -8.970  -8.970
  270   2HB   PHE  39           HB1      PHE  39  46.274 -10.255 -10.255
  271    HD1  PHE  39           HD1      PHE  39  47.136 -11.923 -11.923
  272    HD2  PHE  39           HD2      PHE  39  43.937  -9.147  -9.147
  273    HE1  PHE  39           HE1      PHE  39  46.378 -13.289 -13.289
  274    HE2  PHE  39           HE2      PHE  39  43.180 -10.505 -10.505
  275    HZ   PHE  39           HZ       PHE  39  44.393 -12.584 -12.584
  276    H    GLY  40           HN       GLY  40  45.150  -7.321  -7.321
  277   1HA   GLY  40           HA2      GLY  40  45.849  -4.724  -4.724
  278   2HA   GLY  40           HA1      GLY  40  45.886  -5.322  -5.322
  279    H    MET  41           HN       MET  41  43.808  -4.683  -4.683
  280    HA   MET  41           HA       MET  41  41.493  -4.170  -4.170
  281   1HB   MET  41           HB2      MET  41  40.184  -6.197  -6.197
  282   2HB   MET  41           HB1      MET  41  41.527  -6.575  -6.575
  283   1HG   MET  41           HG2      MET  41  42.703  -7.665  -7.665
  284   2HG   MET  41           HG1      MET  41  42.208  -6.519  -6.519
  285   1HE   MET  41           HE2      MET  41  41.503  -9.458  -9.458
  286   2HE   MET  41           HE1      MET  41  42.108 -10.143 -10.143
  287   3HE   MET  41           HE3      MET  41  40.463 -10.501 -10.501
  288    H    TYR  42           HN       TYR  42  42.986  -3.339  -3.339
  289    HA   TYR  42           HA       TYR  42  40.718  -3.569  -3.569
  290   1HB   TYR  42           HB2      TYR  42  42.856  -4.443  -4.443
  291   2HB   TYR  42           HB1      TYR  42  43.642  -2.904  -2.904
  292    HD1  TYR  42           HD1      TYR  42  40.212  -2.890  -2.890
  293    HD2  TYR  42           HD2      TYR  42  44.361  -2.623  -2.623
  294    HE1  TYR  42           HE1      TYR  42  39.577  -1.998  -1.998
  295    HE2  TYR  42           HE2      TYR  42  43.724  -1.729  -1.729
  296    HH   TYR  42           HH       TYR  42  42.060  -1.084  -1.084
  297    H    SER  43           HN       SER  43  41.120  -1.652  -1.652
  298    HA   SER  43           HA       SER  43  41.211   0.920   0.920
  299   1HB   SER  43           HB2      SER  43  41.959   1.937   1.937
  300   2HB   SER  43           HB1      SER  43  42.643   0.319   0.319
  301    HG   SER  43           HG       SER  43  41.204   1.453   1.453
  302    H    GLU  44           HN       GLU  44  39.550   2.502   2.502
  303    HA   GLU  44           HA       GLU  44  36.889   1.769   1.769
  304   1HB   GLU  44           HB2      GLU  44  38.383   4.205   4.205
  305   2HB   GLU  44           HB1      GLU  44  36.797   4.116   4.116
  306   1HG   GLU  44           HG2      GLU  44  36.243   3.263   3.263
  307   2HG   GLU  44           HG1      GLU  44  37.502   4.465   4.465
  308    H    ASP  45           HN       ASP  45  38.395   3.013   3.013
  309    HA   ASP  45           HA       ASP  45  36.353   2.243   2.243
  310   1HB   ASP  45           HB2      ASP  45  38.388   3.629   3.629
  311   2HB   ASP  45           HB1      ASP  45  39.249   2.104   2.104
  312    H    ALA  46           HN       ALA  46  38.936   0.261   0.261
  313    HA   ALA  46           HA       ALA  46  38.628  -1.994  -1.994
  314   1HB   ALA  46           HB2      ALA  46  40.279  -1.356  -1.356
  315   2HB   ALA  46           HB1      ALA  46  39.273  -2.630  -2.630
  316   3HB   ALA  46           HB3      ALA  46  40.201  -2.937  -2.937
  317    H    ILE  47           HN       ILE  47  37.619  -2.002  -2.002
  318    HA   ILE  47           HA       ILE  47  35.730  -4.105  -4.105
  319    HB   ILE  47           HB       ILE  47  36.754  -3.429  -3.429
  320   1HG1  ILE  47          HG12      ILE  47  33.730  -3.255  -3.255
  321   2HG1  ILE  47          HG11      ILE  47  34.661  -4.750  -4.750
  322   1HG2  ILE  47          HG22      ILE  47  35.779  -0.888  -0.888
  323   2HG2  ILE  47          HG21      ILE  47  34.918  -1.350  -1.350
  324   3HG2  ILE  47          HG23      ILE  47  36.678  -1.302  -1.302
  325   1HD1  ILE  47          HD11      ILE  47  34.771  -2.552  -2.552
  326   2HD1  ILE  47          HD13      ILE  47  33.887  -4.065  -4.065
  327   3HD1  ILE  47          HD12      ILE  47  35.648  -4.080  -4.080
  328    H    ILE  48           HN       ILE  48  35.566  -0.837  -0.837
  329    HA   ILE  48           HA       ILE  48  32.661  -0.540  -0.540
  330    HB   ILE  48           HB       ILE  48  34.881   1.079   1.079
  331   1HG1  ILE  48          HG12      ILE  48  32.847   1.937   1.937
  332   2HG1  ILE  48          HG11      ILE  48  34.330   1.098   1.098
  333   1HG2  ILE  48          HG22      ILE  48  32.095   1.039   1.039
  334   2HG2  ILE  48          HG21      ILE  48  32.507   2.584   2.584
  335   3HG2  ILE  48          HG23      ILE  48  33.403   2.021   2.021
  336   1HD1  ILE  48          HD11      ILE  48  35.313   3.004   3.004
  337   2HD1  ILE  48          HD13      ILE  48  33.947   3.860   3.860
  338   3HD1  ILE  48          HD12      ILE  48  35.210   3.195   3.195
  339    H    TYR  49           HN       TYR  49  34.989  -1.678  -1.678
  340    HA   TYR  49           HA       TYR  49  32.976  -1.806  -1.806
  341   1HB   TYR  49           HB2      TYR  49  35.368  -1.341  -1.341
  342   2HB   TYR  49           HB1      TYR  49  35.779  -2.962  -2.962
  343    HD1  TYR  49           HD1      TYR  49  34.618  -4.955  -4.955
  344    HD2  TYR  49           HD2      TYR  49  34.473  -1.009  -1.009
  345    HE1  TYR  49           HE1      TYR  49  33.882  -5.908  -5.908
  346    HE2  TYR  49           HE2      TYR  49  33.746  -1.963  -1.963
  347    HH   TYR  49           HH       TYR  49  32.957  -5.385  -5.385
  348    H    GLN  50           HN       GLN  50  34.190  -3.918  -3.918
  349    HA   GLN  50           HA       GLN  50  32.853  -6.171  -6.171
  350   1HB   GLN  50           HB2      GLN  50  33.725  -7.527  -7.527
  351   2HB   GLN  50           HB1      GLN  50  34.859  -7.047  -7.047
  352   1HG   GLN  50           HG2      GLN  50  34.473  -5.116  -5.116
  353   2HG   GLN  50           HG1      GLN  50  35.288  -6.609  -6.609
  354   1HE2  GLN  50          HE22      GLN  50  38.135  -4.705  -4.705
  355   2HE2  GLN  50          HE21      GLN  50  37.249  -5.039  -5.039
  356    H    VAL  51           HN       VAL  51  32.320  -3.850  -3.850
  357    HA   VAL  51           HA       VAL  51  30.241  -5.445  -5.445
  358    HB   VAL  51           HB       VAL  51  31.362  -2.676  -2.676
  359   1HG1  VAL  51          HG11      VAL  51  28.766  -3.822  -3.822
  360   2HG1  VAL  51          HG13      VAL  51  29.715  -3.107  -3.107
  361   3HG1  VAL  51          HG12      VAL  51  29.272  -2.136  -2.136
  362   1HG2  VAL  51          HG21      VAL  51  31.273  -5.242  -5.242
  363   2HG2  VAL  51          HG23      VAL  51  32.699  -4.483  -4.483
  364   3HG2  VAL  51          HG22      VAL  51  31.858  -3.706  -3.706
  365    H    GLN  52           HN       GLN  52  30.535  -2.926  -2.926
  366    HA   GLN  52           HA       GLN  52  27.677  -2.333  -2.333
  367   1HB   GLN  52           HB2      GLN  52  29.994  -1.064  -1.064
  368   2HB   GLN  52           HB1      GLN  52  29.060  -1.496  -1.496
  369   1HG   GLN  52           HG2      GLN  52  27.342  -0.077  -0.077
  370   2HG   GLN  52           HG1      GLN  52  27.516  -0.336  -0.336
  371   1HE2  GLN  52          HE22      GLN  52  30.410   2.040   2.040
  372   2HE2  GLN  52          HE21      GLN  52  30.191   0.400   0.400
  373    H    HIS  53           HN       HIS  53  29.639  -4.819  -4.819
  374    HA   HIS  53           HA       HIS  53  27.511  -5.655  -5.655
  375   1HB   HIS  53           HB2      HIS  53  29.975  -5.856  -5.856
  376   2HB   HIS  53           HB1      HIS  53  28.441  -5.174  -5.174
  377    HD1  HIS  53           HD1      HIS  53  29.056  -2.911  -2.911
  378    HD2  HIS  53           HD2      HIS  53  30.841  -3.549  -3.549
  379    HE1  HIS  53           HE1      HIS  53  30.175  -0.737  -0.737
  380    H    GLY  54           HN       GLY  54  29.165  -6.512  -6.512
  381   1HA   GLY  54           HA2      GLY  54  30.235  -8.483  -8.483
  382   2HA   GLY  54           HA1      GLY  54  29.173  -9.264  -9.264
  383    H    LYS  55           HN       LYS  55  30.502 -10.603 -10.603
  384    HA   LYS  55           HA       LYS  55  32.064 -10.207 -10.207
  385   1HB   LYS  55           HB2      LYS  55  33.476  -9.236  -9.236
  386   2HB   LYS  55           HB1      LYS  55  34.388 -10.481 -10.481
  387   1HG   LYS  55           HG2      LYS  55  34.437  -9.252  -9.252
  388   2HG   LYS  55           HG1      LYS  55  33.066  -8.241  -8.241
  389   1HD   LYS  55           HD2      LYS  55  34.414  -6.743  -6.743
  390   2HD   LYS  55           HD1      LYS  55  35.254  -8.008  -8.008
  391   1HE   LYS  55           HE2      LYS  55  36.306  -8.483  -8.483
  392   2HE   LYS  55           HE1      LYS  55  35.950  -6.767  -6.767
  393   1HZ   LYS  55           HZ3      LYS  55  37.450  -7.903  -7.903
  394   2HZ   LYS  55           HZ2      LYS  55  38.182  -7.215  -7.215
  395   3HZ   LYS  55           HZ1      LYS  55  37.216  -6.260  -6.260
  396    H    ASN  56           HN       ASN  56  32.597 -12.211 -12.211
  397    HA   ASN  56           HA       ASN  56  32.767 -14.549 -14.549
  398   1HB   ASN  56           HB2      ASN  56  34.179 -13.892 -13.892
  399   2HB   ASN  56           HB1      ASN  56  34.152 -15.509 -15.509
  400   1HD2  ASN  56          HD22      ASN  56  36.325 -12.544 -12.544
  401   2HD2  ASN  56          HD21      ASN  56  35.091 -12.117 -12.117
  402    H    ALA  57           HN       ALA  57  32.622 -14.498 -14.498
  403    HA   ALA  57           HA       ALA  57  29.843 -15.594 -15.594
  404   1HB   ALA  57           HB1      ALA  57  32.087 -16.974 -16.974
  405   2HB   ALA  57           HB3      ALA  57  31.418 -16.392 -16.392
  406   3HB   ALA  57           HB2      ALA  57  30.429 -17.378 -17.378
  407    H    MET  58           HN       MET  58  30.393 -12.831 -12.831
  408    HA   MET  58           HA       MET  58  29.622 -12.442 -12.442
  409   1HB   MET  58           HB2      MET  58  31.872 -11.528 -11.528
  410   2HB   MET  58           HB1      MET  58  31.035 -10.435 -10.435
  411   1HG   MET  58           HG2      MET  58  29.798  -9.460  -9.460
  412   2HG   MET  58           HG1      MET  58  30.568 -10.593 -10.593
  413   1HE   MET  58           HE1      MET  58  30.315  -7.315  -7.315
  414   2HE   MET  58           HE3      MET  58  30.809  -7.849  -7.849
  415   3HE   MET  58           HE2      MET  58  31.790  -6.682  -6.682
  416    HA   PRO  59           HA       PRO  59  25.850 -10.951 -10.951
  417   1HB   PRO  59           HB2      PRO  59  24.946  -9.697  -9.697
  418   2HB   PRO  59           HB1      PRO  59  24.928 -11.446 -11.446
  419   1HG   PRO  59           HG2      PRO  59  26.711  -9.792  -9.792
  420   2HG   PRO  59           HG1      PRO  59  26.277 -11.500 -11.500
  421   1HD   PRO  59           HD2      PRO  59  28.699 -10.460 -10.460
  422   2HD   PRO  59           HD1      PRO  59  28.168 -12.147 -12.147
  423    H    ALA  60           HN       ALA  60  26.423  -9.339  -9.339
  424    HA   ALA  60           HA       ALA  60  27.273  -6.720  -6.720
  425   1HB   ALA  60           HB3      ALA  60  25.354  -8.042  -8.042
  426   2HB   ALA  60           HB2      ALA  60  25.707  -6.319  -6.319
  427   3HB   ALA  60           HB1      ALA  60  27.004  -7.504  -7.504
  428    H    PHE  61           HN       PHE  61  26.405  -5.248  -5.248
  429    HA   PHE  61           HA       PHE  61  23.594  -5.370  -5.370
  430   1HB   PHE  61           HB2      PHE  61  25.824  -3.469  -3.469
  431   2HB   PHE  61           HB1      PHE  61  24.187  -3.379  -3.379
  432    HD1  PHE  61           HD1      PHE  61  27.001  -5.815  -5.815
  433    HD2  PHE  61           HD2      PHE  61  23.645  -4.622  -4.622
  434    HE1  PHE  61           HE1      PHE  61  27.556  -7.577  -7.577
  435    HE2  PHE  61           HE2      PHE  61  24.200  -6.388  -6.388
  436    HZ   PHE  61           HZ       PHE  61  26.152  -7.863  -7.863
  437    H    ALA  62           HN       ALA  62  25.813  -3.055  -3.055
  438    HA   ALA  62           HA       ALA  62  25.322  -1.149  -1.149
  439   1HB   ALA  62           HB3      ALA  62  24.447  -3.605  -3.605
  440   2HB   ALA  62           HB2      ALA  62  23.378  -2.292  -2.292
  441   3HB   ALA  62           HB1      ALA  62  25.115  -2.167  -2.167
  442    H    GLY  63           HN       GLY  63  23.535  -1.591  -1.591
  443   1HA   GLY  63           HA2      GLY  63  21.928   0.356   0.356
  444   2HA   GLY  63           HA1      GLY  63  21.082  -0.241  -0.241
  445    H    ARG  64           HN       ARG  64  22.601  -2.299  -2.299
  446    HA   ARG  64           HA       ARG  64  19.924  -3.420  -3.420
  447   1HB   ARG  64           HB2      ARG  64  21.424  -5.133  -5.133
  448   2HB   ARG  64           HB1      ARG  64  22.752  -4.473  -4.473
  449   1HG   ARG  64           HG2      ARG  64  21.435  -4.984  -4.984
  450   2HG   ARG  64           HG1      ARG  64  20.238  -5.790  -5.790
  451   1HD   ARG  64           HD2      ARG  64  22.921  -6.631  -6.631
  452   2HD   ARG  64           HD1      ARG  64  22.594  -6.919  -6.919
  453    HE   ARG  64           HE       ARG  64  20.729  -7.916  -7.916
  454   1HH1  ARG  64          HH11      ARG  64  20.673  -8.084  -8.084
  455   2HH1  ARG  64          HH12      ARG  64  21.004  -9.775  -9.775
  456   1HH2  ARG  64          HH21      ARG  64  22.014 -10.201 -10.201
  457   2HH2  ARG  64          HH22      ARG  64  21.763 -10.972 -10.972
  458    H    LEU  65           HN       LEU  65  23.002  -2.339  -2.339
  459    HA   LEU  65           HA       LEU  65  21.995  -2.170  -2.170
  460   1HB   LEU  65           HB2      LEU  65  24.253  -0.661  -0.661
  461   2HB   LEU  65           HB1      LEU  65  23.941  -0.649  -0.649
  462    HG   LEU  65           HG       LEU  65  25.428  -2.348  -2.348
  463   1HD1  LEU  65          HD13      LEU  65  23.058  -3.834  -3.834
  464   2HD1  LEU  65          HD12      LEU  65  24.437  -4.602  -4.602
  465   3HD1  LEU  65          HD11      LEU  65  23.375  -3.539  -3.539
  466   1HD2  LEU  65          HD22      LEU  65  26.103  -1.971  -1.971
  467   2HD2  LEU  65          HD21      LEU  65  26.050  -3.696  -3.696
  468   3HD2  LEU  65          HD23      LEU  65  24.747  -2.946  -2.946
  469    H    THR  66           HN       THR  66  22.878   0.749   0.749
  470    HA   THR  66           HA       THR  66  20.217   1.843   1.843
  471    HB   THR  66           HB       THR  66  22.401   2.823   2.823
  472    HG1  THR  66           HG1      THR  66  21.084   1.821   1.821
  473   1HG2  THR  66          HG23      THR  66  20.040   4.327   4.327
  474   2HG2  THR  66          HG22      THR  66  20.845   4.792   4.792
  475   3HG2  THR  66          HG21      THR  66  21.738   4.801   4.801
  476    H    ASP  67           HN       ASP  67  23.655   2.730   2.730
  477    HA   ASP  67           HA       ASP  67  24.061   3.298   3.298
  478   1HB   ASP  67           HB2      ASP  67  22.081   5.228   5.228
  479   2HB   ASP  67           HB1      ASP  67  23.398   5.937   5.937
  480    H    GLU  68           HN       GLU  68  23.860   5.494   5.494
  481    HA   GLU  68           HA       GLU  68  26.554   6.526   6.526
  482   1HB   GLU  68           HB2      GLU  68  24.558   6.421   6.421
  483   2HB   GLU  68           HB1      GLU  68  26.078   7.331   7.331
  484   1HG   GLU  68           HG2      GLU  68  24.081   7.740   7.740
  485   2HG   GLU  68           HG1      GLU  68  23.949   8.620   8.620
  486    H    GLN  69           HN       GLN  69  25.461   3.513   3.513
  487    HA   GLN  69           HA       GLN  69  27.689   2.897   2.897
  488   1HB   GLN  69           HB2      GLN  69  25.787   0.771   0.771
  489   2HB   GLN  69           HB1      GLN  69  26.273   1.627   1.627
  490   1HG   GLN  69           HG2      GLN  69  24.190   2.569   2.569
  491   2HG   GLN  69           HG1      GLN  69  23.845   1.888   1.888
  492   1HE2  GLN  69          HE22      GLN  69  25.911   5.112   5.112
  493   2HE2  GLN  69          HE21      GLN  69  26.593   3.595   3.595
  494    H    ILE  70           HN       ILE  70  26.111   2.229   2.229
  495    HA   ILE  70           HA       ILE  70  27.590  -0.076  -0.076
  496    HB   ILE  70           HB       ILE  70  26.622   2.398   2.398
  497   1HG1  ILE  70          HG12      ILE  70  24.998   0.646   0.646
  498   2HG1  ILE  70          HG11      ILE  70  24.929   0.932   0.932
  499   1HG2  ILE  70          HG21      ILE  70  28.675   1.499   1.499
  500   2HG2  ILE  70          HG23      ILE  70  27.889  -0.074  -0.074
  501   3HG2  ILE  70          HG22      ILE  70  27.241   1.310   1.310
  502   1HD1  ILE  70          HD13      ILE  70  26.767  -1.179  -1.179
  503   2HD1  ILE  70          HD12      ILE  70  25.049  -1.534  -1.534
  504   3HD1  ILE  70          HD11      ILE  70  26.008  -1.075  -1.075
  505    H    GLN  71           HN       GLN  71  28.290   3.190   3.190
  506    HA   GLN  71           HA       GLN  71  31.026   3.186   3.186
  507   1HB   GLN  71           HB2      GLN  71  28.952   5.122   5.122
  508   2HB   GLN  71           HB1      GLN  71  30.640   5.603   5.603
  509   1HG   GLN  71           HG2      GLN  71  30.328   4.397   4.397
  510   2HG   GLN  71           HG1      GLN  71  28.958   5.491   5.491
  511   1HE2  GLN  71          HE22      GLN  71  31.514   8.165   8.165
  512   2HE2  GLN  71          HE21      GLN  71  30.387   7.332   7.332
  513    H    ASP  72           HN       ASP  72  29.330   4.252   4.252
  514    HA   ASP  72           HA       ASP  72  31.480   4.558   4.558
  515   1HB   ASP  72           HB2      ASP  72  28.579   4.061   4.061
  516   2HB   ASP  72           HB1      ASP  72  29.597   3.767   3.767
  517    H    VAL  73           HN       VAL  73  29.511   1.617   1.617
  518    HA   VAL  73           HA       VAL  73  30.768  -0.025  -0.025
  519    HB   VAL  73           HB       VAL  73  29.946  -0.978  -0.978
  520   1HG1  VAL  73          HG13      VAL  73  30.142  -2.151  -2.151
  521   2HG1  VAL  73          HG12      VAL  73  29.074  -2.869  -2.869
  522   3HG1  VAL  73          HG11      VAL  73  30.807  -2.767  -2.767
  523   1HG2  VAL  73          HG22      VAL  73  28.389   0.575   0.575
  524   2HG2  VAL  73          HG21      VAL  73  27.820  -0.406  -0.406
  525   3HG2  VAL  73          HG23      VAL  73  27.862  -1.082  -1.082
  526    H    ALA  74           HN       ALA  74  31.787   1.028   1.028
  527    HA   ALA  74           HA       ALA  74  34.052  -0.830  -0.830
  528   1HB   ALA  74           HB3      ALA  74  33.275   1.626   1.626
  529   2HB   ALA  74           HB2      ALA  74  34.803   0.786   0.786
  530   3HB   ALA  74           HB1      ALA  74  33.276  -0.057  -0.057
  531    H    ALA  75           HN       ALA  75  34.028   2.766   2.766
  532    HA   ALA  75           HA       ALA  75  36.653   3.060   3.060
  533   1HB   ALA  75           HB1      ALA  75  34.121   4.633   4.633
  534   2HB   ALA  75           HB3      ALA  75  35.335   5.050   5.050
  535   3HB   ALA  75           HB2      ALA  75  35.740   5.141   5.141
  536    H    TYR  76           HN       TYR  76  33.793   1.876   1.876
  537    HA   TYR  76           HA       TYR  76  34.288   2.140   2.140
  538   1HB   TYR  76           HB2      TYR  76  32.070   1.636   1.636
  539   2HB   TYR  76           HB1      TYR  76  32.628   0.287   0.287
  540    HD1  TYR  76           HD1      TYR  76  32.090   1.449   1.449
  541    HD2  TYR  76           HD2      TYR  76  32.926  -1.887  -1.887
  542    HE1  TYR  76           HE1      TYR  76  31.667   0.007   0.007
  543    HE2  TYR  76           HE2      TYR  76  32.471  -3.399  -3.399
  544    HH   TYR  76           HH       TYR  76  31.673  -2.082  -2.082
  545    H    VAL  77           HN       VAL  77  34.901  -0.530  -0.530
  546    HA   VAL  77           HA       VAL  77  36.090  -2.237  -2.237
  547    HB   VAL  77           HB       VAL  77  35.342  -3.275  -3.275
  548   1HG1  VAL  77          HG11      VAL  77  36.834  -1.060  -1.060
  549   2HG1  VAL  77          HG13      VAL  77  36.426  -2.517  -2.517
  550   3HG1  VAL  77          HG12      VAL  77  35.143  -1.529  -1.529
  551   1HG2  VAL  77          HG23      VAL  77  37.974  -3.577  -3.577
  552   2HG2  VAL  77          HG22      VAL  77  37.156  -4.616  -4.616
  553   3HG2  VAL  77          HG21      VAL  77  38.134  -3.259  -3.259
  554    H    LEU  78           HN       LEU  78  37.169   0.463   0.463
  555    HA   LEU  78           HA       LEU  78  40.026  -0.085  -0.085
  556   1HB   LEU  78           HB2      LEU  78  38.980   2.677   2.677
  557   2HB   LEU  78           HB1      LEU  78  40.398   1.879   1.879
  558    HG   LEU  78           HG       LEU  78  37.494   1.402   1.402
  559   1HD1  LEU  78          HD12      LEU  78  39.929   2.375   2.375
  560   2HD1  LEU  78          HD11      LEU  78  38.395   1.962   1.962
  561   3HD1  LEU  78          HD13      LEU  78  38.476   3.298   3.298
  562   1HD2  LEU  78          HD21      LEU  78  39.971  -0.125  -0.125
  563   2HD2  LEU  78          HD23      LEU  78  38.653  -0.761  -0.761
  564   3HD2  LEU  78          HD22      LEU  78  38.366  -0.325  -0.325
  565    H    ASP  79           HN       ASP  79  37.513   1.053   1.053
  566    HA   ASP  79           HA       ASP  79  39.249   2.634   2.634
  567   1HB   ASP  79           HB2      ASP  79  36.723   3.032   3.032
  568   2HB   ASP  79           HB1      ASP  79  36.403   2.169   2.169
  569    H    GLN  80           HN       GLN  80  37.301  -0.273  -0.273
  570    HA   GLN  80           HA       GLN  80  37.562  -0.934  -0.934
  571   1HB   GLN  80           HB2      GLN  80  36.847  -2.800  -2.800
  572   2HB   GLN  80           HB1      GLN  80  36.382  -2.923  -2.923
  573   1HG   GLN  80           HG2      GLN  80  35.605  -0.375  -0.375
  574   2HG   GLN  80           HG1      GLN  80  34.847  -1.776  -1.776
  575   1HE2  GLN  80          HE22      GLN  80  33.361  -0.529  -0.529
  576   2HE2  GLN  80          HE21      GLN  80  34.300   0.424   0.424
  577    H    ALA  81           HN       ALA  81  39.150  -1.988  -1.988
  578    HA   ALA  81           HA       ALA  81  40.759  -4.012  -4.012
  579   1HB   ALA  81           HB1      ALA  81  40.322  -3.174  -3.174
  580   2HB   ALA  81           HB3      ALA  81  42.027  -2.838  -2.838
  581   3HB   ALA  81           HB2      ALA  81  41.399  -4.466  -4.466
  582    H    ALA  82           HN       ALA  82  41.023  -0.581  -0.581
  583    HA   ALA  82           HA       ALA  82  43.830  -0.540  -0.540
  584   1HB   ALA  82           HB1      ALA  82  42.240   1.139   1.139
  585   2HB   ALA  82           HB3      ALA  82  42.447   2.029   2.029
  586   3HB   ALA  82           HB2      ALA  82  43.861   1.515   1.515
  587    H    LYS  83           HN       LYS  83  41.273  -1.193  -1.193
  588    HA   LYS  83           HA       LYS  83  42.563  -0.034  -0.034
  589   1HB   LYS  83           HB2      LYS  83  40.900   1.492   1.492
  590   2HB   LYS  83           HB1      LYS  83  41.134   1.833   1.833
  591   1HG   LYS  83           HG2      LYS  83  39.185   0.368   0.368
  592   2HG   LYS  83           HG1      LYS  83  38.928   0.130   0.130
  593   1HD   LYS  83           HD2      LYS  83  38.851   2.711   2.711
  594   2HD   LYS  83           HD1      LYS  83  38.644   2.671   2.671
  595   1HE   LYS  83           HE2      LYS  83  36.451   2.271   2.271
  596   2HE   LYS  83           HE1      LYS  83  36.870   0.734   0.734
  597   1HZ   LYS  83           HZ1      LYS  83  37.123   3.154   3.154
  598   2HZ   LYS  83           HZ3      LYS  83  35.555   2.599   2.599
  599   3HZ   LYS  83           HZ2      LYS  83  36.665   1.584   1.584
  600    H    GLY  84           HN       GLY  84  41.608  -2.732  -2.732
  601   1HA   GLY  84           HA2      GLY  84  40.996  -4.528  -4.528
  602   2HA   GLY  84           HA1      GLY  84  40.261  -3.347  -3.347
  603    H    TRP  85           HN       TRP  85  39.889  -4.831  -4.831
  604    HA   TRP  85           HA       TRP  85  37.429  -4.058  -4.058
  605   1HB   TRP  85           HB2      TRP  85  38.980  -6.492  -6.492
  606   2HB   TRP  85           HB1      TRP  85  37.265  -6.870  -6.870
  607    HD1  TRP  85           HD1      TRP  85  39.827  -6.121  -6.121
  608    HE1  TRP  85           HE1      TRP  85  38.805  -5.229  -5.229
  609    HE3  TRP  85           HE3      TRP  85  35.147  -5.011  -5.011
  610    HZ2  TRP  85           HZ2      TRP  85  36.310  -4.191  -4.191
  611    HZ3  TRP  85           HZ3      TRP  85  33.468  -4.052  -4.052
  612    HH2  TRP  85           HH2      TRP  85  34.041  -3.633  -3.633
  613    H    ALA  86           HN       ALA  86  36.110  -3.385  -3.385
  614    HA   ALA  86           HA       ALA  86  35.305  -4.993  -4.993
  615   1HB   ALA  86           HB3      ALA  86  34.917  -2.486  -2.486
  616   2HB   ALA  86           HB2      ALA  86  33.540  -2.940  -2.940
  617   3HB   ALA  86           HB1      ALA  86  33.576  -3.392  -3.392
  618    H    GLY  87           HN       GLY  87  34.063  -4.729  -4.729
  619   1HA   GLY  87           HA2      GLY  87  32.323  -5.896  -5.896
  620   2HA   GLY  87           HA1      GLY  87  33.088  -7.282  -7.282
  621    HHA  HEC  88           HA       HEM  88  35.920 -10.552 -10.552
  622    HHB  HEC  88           HB       HEM  88  33.953  -5.852  -5.852
  623    HHC  HEC  88           HC       HEM  88  28.221  -8.569  -8.569
  624    HHD  HEC  88           HD       HEM  88  30.510 -13.659 -13.659
  625   1HMA  HEC  88          HMA1      HEM  88  36.430  -5.323  -5.323
  626   2HMA  HEC  88          HMA2      HEM  88  37.565  -6.479  -6.479
  627   3HMA  HEC  88          HMA3      HEM  88  36.134  -5.845  -5.845
  628   1HAA  HEC  88          HAA1      HEM  88  37.651  -9.590  -9.590
  629   2HAA  HEC  88          HAA2      HEM  88  38.193  -8.033  -8.033
  630   1HBA  HEC  88          HBA1      HEM  88  36.499  -7.961  -7.961
  631   2HBA  HEC  88          HBA2      HEM  88  37.747  -6.800  -6.800
  632   1HMB  HEC  88          HMB1      HEM  88  31.167  -4.805  -4.805
  633   2HMB  HEC  88          HMB2      HEM  88  31.604  -4.023  -4.023
  634   3HMB  HEC  88          HMB3      HEM  88  32.837  -4.983  -4.983
  635    HAB  HEC  88           HAB      HEM  88  28.017  -6.754  -6.754
  636   1HBB  HEC  88          HBB1      HEM  88  29.211  -3.956  -3.956
  637   2HBB  HEC  88          HBB2      HEM  88  28.984  -5.067  -5.067
  638   3HBB  HEC  88          HBB3      HEM  88  27.561  -4.552  -4.552
  639   1HMC  HEC  88          HMC1      HEM  88  26.251 -10.213 -10.213
  640   2HMC  HEC  88          HMC2      HEM  88  26.338 -11.829 -11.829
  641   3HMC  HEC  88          HMC3      HEM  88  26.885 -10.348 -10.348
  642    HAC  HEC  88           HAC      HEM  88  29.031 -14.209 -14.209
  643   1HBC  HEC  88          HBC1      HEM  88  26.729 -14.893 -14.893
  644   2HBC  HEC  88          HBC2      HEM  88  26.116 -13.227 -13.227
  645   3HBC  HEC  88          HBC3      HEM  88  27.166 -13.538 -13.538
  646   1HMD  HEC  88          HMD1      HEM  88  32.450 -14.619 -14.619
  647   2HMD  HEC  88          HMD2      HEM  88  33.460 -15.330 -15.330
  648   3HMD  HEC  88          HMD3      HEM  88  31.713 -14.972 -14.972
  649   1HAD  HEC  88          HAD1      HEM  88  35.533 -14.126 -14.126
  650   2HAD  HEC  88          HAD2      HEM  88  36.206 -12.455 -12.455
  651   1HBD  HEC  88          HBD1      HEM  88  35.129 -14.019 -14.019
  652   2HBD  HEC  88          HBD2      HEM  88  34.089 -12.557 -12.557

  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1  31.307  12.235  12.235
    2   2H    ALA   1           HT3      ALA   1  32.093  12.096  12.096
    3   3H    ALA   1           HT2      ALA   1  33.005  12.245  12.245
    4    HA   ALA   1           HA       ALA   1  33.097  10.056  10.056
    5   1HB   ALA   1           HB3      ALA   1  31.894  10.485  10.485
    6   2HB   ALA   1           HB2      ALA   1  31.090   9.107   9.107
    7   3HB   ALA   1           HB1      ALA   1  32.840   9.097   9.097
    8    H    ASP   2           HN       ASP   2  32.252   9.003   9.003
    9    HA   ASP   2           HA       ASP   2  29.283   9.085   9.085
   10   1HB   ASP   2           HB2      ASP   2  31.419   9.064   9.064
   11   2HB   ASP   2           HB1      ASP   2  29.672   9.076   9.076
   12    H    LEU   3           HN       LEU   3  32.205   7.176   7.176
   13    HA   LEU   3           HA       LEU   3  31.079   4.865   4.865
   14   1HB   LEU   3           HB2      LEU   3  33.344   4.915   4.915
   15   2HB   LEU   3           HB1      LEU   3  33.020   3.664   3.664
   16    HG   LEU   3           HG       LEU   3  34.145   6.421   6.421
   17   1HD1  LEU   3          HD11      LEU   3  35.268   3.986   3.986
   18   2HD1  LEU   3          HD13      LEU   3  34.777   4.045   4.045
   19   3HD1  LEU   3          HD12      LEU   3  35.858   5.280   5.280
   20   1HD2  LEU   3          HD22      LEU   3  32.323   4.952   4.952
   21   2HD2  LEU   3          HD21      LEU   3  32.417   6.681   6.681
   22   3HD2  LEU   3          HD23      LEU   3  33.660   5.902   5.902
   23    H    ALA   4           HN       ALA   4  30.304   6.287   6.287
   24    HA   ALA   4           HA       ALA   4  29.934   4.012   4.012
   25   1HB   ALA   4           HB2      ALA   4  29.283   6.790   6.790
   26   2HB   ALA   4           HB1      ALA   4  27.783   5.899   5.899
   27   3HB   ALA   4           HB3      ALA   4  29.164   5.620   5.620
   28    H    ASN   5           HN       ASN   5  28.351   5.356   5.356
   29    HA   ASN   5           HA       ASN   5  25.894   3.819   3.819
   30   1HB   ASN   5           HB2      ASN   5  27.098   5.853   5.853
   31   2HB   ASN   5           HB1      ASN   5  26.531   4.538   4.538
   32   1HD2  ASN   5          HD22      ASN   5  23.671   6.270   6.270
   33   2HD2  ASN   5          HD21      ASN   5  25.228   5.977   5.977
   34    H    GLY   6           HN       GLY   6  29.104   3.466   3.466
   35   1HA   GLY   6           HA2      GLY   6  28.706   1.256   1.256
   36   2HA   GLY   6           HA1      GLY   6  30.203   1.567   1.567
   37    H    ALA   7           HN       ALA   7  29.836   1.092   1.092
   38    HA   ALA   7           HA       ALA   7  29.610  -1.652  -1.652
   39   1HB   ALA   7           HB1      ALA   7  29.641   0.702   0.702
   40   2HB   ALA   7           HB3      ALA   7  28.655  -0.598  -0.598
   41   3HB   ALA   7           HB2      ALA   7  30.346  -0.895  -0.895
   42    H    LYS   8           HN       LYS   8  27.050   0.778   0.778
   43    HA   LYS   8           HA       LYS   8  24.974  -0.862  -0.862
   44   1HB   LYS   8           HB2      LYS   8  24.315   1.357   1.357
   45   2HB   LYS   8           HB1      LYS   8  25.089   1.579   1.579
   46   1HG   LYS   8           HG2      LYS   8  22.865  -0.375  -0.375
   47   2HG   LYS   8           HG1      LYS   8  22.386   1.288   1.288
   48   1HD   LYS   8           HD2      LYS   8  23.891   0.271   0.271
   49   2HD   LYS   8           HD1      LYS   8  22.269   0.959   0.959
   50   1HE   LYS   8           HE2      LYS   8  24.042   2.821   2.821
   51   2HE   LYS   8           HE1      LYS   8  24.757   2.321   2.321
   52   1HZ   LYS   8           HZ1      LYS   8  22.079   2.667   2.667
   53   2HZ   LYS   8           HZ3      LYS   8  22.488   3.974   3.974
   54   3HZ   LYS   8           HZ2      LYS   8  23.337   3.715   3.715
   55    H    VAL   9           HN       VAL   9  26.094  -0.304  -0.304
   56    HA   VAL   9           HA       VAL   9  24.226  -2.237  -2.237
   57    HB   VAL   9           HB       VAL   9  26.663  -0.816  -0.816
   58   1HG1  VAL   9          HG13      VAL   9  26.386  -3.097  -3.097
   59   2HG1  VAL   9          HG12      VAL   9  24.758  -2.629  -2.629
   60   3HG1  VAL   9          HG11      VAL   9  26.153  -1.780  -1.780
   61   1HG2  VAL   9          HG23      VAL   9  23.722  -0.441  -0.441
   62   2HG2  VAL   9          HG22      VAL   9  25.009   0.763   0.763
   63   3HG2  VAL   9          HG21      VAL   9  24.528  -0.124  -0.124
   64    H    PHE  10           HN       PHE  10  27.812  -2.275  -2.275
   65    HA   PHE  10           HA       PHE  10  28.239  -4.910  -4.910
   66   1HB   PHE  10           HB2      PHE  10  30.075  -3.378  -3.378
   67   2HB   PHE  10           HB1      PHE  10  29.672  -3.285  -3.285
   68    HD1  PHE  10           HD1      PHE  10  29.702  -5.412  -5.412
   69    HD2  PHE  10           HD2      PHE  10  31.495  -5.128  -5.128
   70    HE1  PHE  10           HE1      PHE  10  31.019  -7.430  -7.430
   71    HE2  PHE  10           HE2      PHE  10  32.821  -7.165  -7.165
   72    HZ   PHE  10           HZ       PHE  10  32.590  -8.324  -8.324
   73    H    SER  11           HN       SER  11  26.812  -3.762  -3.762
   74    HA   SER  11           HA       SER  11  27.130  -6.371  -6.371
   75   1HB   SER  11           HB2      SER  11  25.675  -3.868  -3.868
   76   2HB   SER  11           HB1      SER  11  26.002  -5.292  -5.292
   77    HG   SER  11           HG       SER  11  28.180  -4.884  -4.884
   78    H    GLY  12           HN       GLY  12  25.573  -6.150  -6.150
   79   1HA   GLY  12           HA2      GLY  12  23.215  -7.558  -7.558
   80   2HA   GLY  12           HA1      GLY  12  22.837  -5.994  -5.994
   81    H    ASN  13           HN       ASN  13  25.055  -6.172  -6.172
   82    HA   ASN  13           HA       ASN  13  23.891  -8.301  -8.301
   83   1HB   ASN  13           HB2      ASN  13  25.254  -5.848  -5.848
   84   2HB   ASN  13           HB1      ASN  13  24.013  -6.856  -6.856
   85   1HD2  ASN  13          HD22      ASN  13  22.894  -3.928  -3.928
   86   2HD2  ASN  13          HD21      ASN  13  24.517  -4.449  -4.449
   87    H    CYS  14           HN       CYS  14  26.797  -6.340  -6.340
   88    HA   CYS  14           HA       CYS  14  28.550  -8.116  -8.116
   89   1HB   CYS  14           HB2      CYS  14  29.385  -6.257  -6.257
   90   2HB   CYS  14           HB1      CYS  14  30.297  -6.717  -6.717
   91    H    ALA  15           HN       ALA  15  27.374  -7.925  -7.925
   92    HA   ALA  15           HA       ALA  15  29.266  -9.608  -9.608
   93   1HB   ALA  15           HB3      ALA  15  27.107  -8.211  -8.211
   94   2HB   ALA  15           HB2      ALA  15  26.439  -9.842  -9.842
   95   3HB   ALA  15           HB1      ALA  15  27.876  -9.470  -9.470
   96    H    ALA  16           HN       ALA  16  26.328 -10.391 -10.391
   97    HA   ALA  16           HA       ALA  16  26.184 -13.152 -13.152
   98   1HB   ALA  16           HB1      ALA  16  24.568 -11.589 -11.589
   99   2HB   ALA  16           HB3      ALA  16  25.486 -12.186 -12.186
  100   3HB   ALA  16           HB2      ALA  16  24.619 -13.317 -13.317
  101    H    CYS  17           HN       CYS  17  28.598 -11.523 -11.523
  102    HA   CYS  17           HA       CYS  17  29.677 -14.142 -14.142
  103   1HB   CYS  17           HB2      CYS  17  29.370 -11.726 -11.726
  104   2HB   CYS  17           HB1      CYS  17  30.300 -13.148 -13.148
  105    H    HIS  18           HN       HIS  18  30.307 -12.003 -12.003
  106    HA   HIS  18           HA       HIS  18  33.191 -11.987 -11.987
  107   1HB   HIS  18           HB2      HIS  18  31.526  -9.457  -9.457
  108   2HB   HIS  18           HB1      HIS  18  33.257  -9.460  -9.460
  109    HD1  HIS  18           HD1      HIS  18  34.851 -10.101 -10.101
  110    HD2  HIS  18           HD2      HIS  18  30.857  -9.952  -9.952
  111    HE1  HIS  18           HE1      HIS  18  34.849 -10.194 -10.194
  112    H    MET  19           HN       MET  19  30.976 -10.028 -10.028
  113    HA   MET  19           HA       MET  19  30.879  -9.739  -9.739
  114   1HB   MET  19           HB2      MET  19  30.741 -12.483 -12.483
  115   2HB   MET  19           HB1      MET  19  31.800 -12.313 -12.313
  116   1HG   MET  19           HG2      MET  19  30.123 -11.531 -11.531
  117   2HG   MET  19           HG1      MET  19  29.335 -10.660 -10.660
  118   1HE   MET  19           HE1      MET  19  27.162 -11.090 -11.090
  119   2HE   MET  19           HE3      MET  19  26.290 -12.629 -12.629
  120   3HE   MET  19           HE2      MET  19  27.281 -12.132 -12.132
  121    H    GLY  20           HN       GLY  20  32.445  -8.426  -8.426
  122   1HA   GLY  20           HA2      GLY  20  34.583  -7.716  -7.716
  123   2HA   GLY  20           HA1      GLY  20  34.641  -9.311  -9.311
  124    H    GLY  21           HN       GLY  21  34.931  -7.934  -7.934
  125   1HA   GLY  21           HA2      GLY  21  36.286  -8.651  -8.651
  126   2HA   GLY  21           HA1      GLY  21  37.554  -8.505  -8.505
  127    H    GLY  22           HN       GLY  22  35.003 -10.812 -10.812
  128   1HA   GLY  22           HA2      GLY  22  37.010 -12.980 -12.980
  129   2HA   GLY  22           HA1      GLY  22  35.617 -13.145 -13.145
  130    H    ASN  23           HN       ASN  23  36.637 -13.037 -13.037
  131    HA   ASN  23           HA       ASN  23  34.102 -13.253 -13.253
  132   1HB   ASN  23           HB2      ASN  23  36.872 -13.599 -13.599
  133   2HB   ASN  23           HB1      ASN  23  35.896 -14.876 -14.876
  134   1HD2  ASN  23          HD22      ASN  23  33.849 -12.436 -12.436
  135   2HD2  ASN  23          HD21      ASN  23  33.644 -13.852 -13.852
  136    H    VAL  24           HN       VAL  24  32.829 -15.064 -15.064
  137    HA   VAL  24           HA       VAL  24  33.326 -17.453 -17.453
  138    HB   VAL  24           HB       VAL  24  30.974 -18.033 -18.033
  139   1HG1  VAL  24          HG12      VAL  24  31.709 -16.381 -16.381
  140   2HG1  VAL  24          HG11      VAL  24  31.083 -15.121 -15.121
  141   3HG1  VAL  24          HG13      VAL  24  30.005 -16.379 -16.379
  142   1HG2  VAL  24          HG23      VAL  24  31.084 -15.473 -15.473
  143   2HG2  VAL  24          HG22      VAL  24  30.812 -17.100 -17.100
  144   3HG2  VAL  24          HG21      VAL  24  29.600 -16.334 -16.334
  145    H    VAL  25           HN       VAL  25  32.722 -16.555 -16.555
  146    HA   VAL  25           HA       VAL  25  33.089 -19.334 -19.334
  147    HB   VAL  25           HB       VAL  25  33.099 -16.928 -16.928
  148   1HG1  VAL  25          HG11      VAL  25  32.139 -19.795 -19.795
  149   2HG1  VAL  25          HG13      VAL  25  31.870 -18.577 -18.577
  150   3HG1  VAL  25          HG12      VAL  25  33.512 -19.075 -19.075
  151   1HG2  VAL  25          HG21      VAL  25  30.816 -18.109 -18.109
  152   2HG2  VAL  25          HG23      VAL  25  31.188 -16.411 -16.411
  153   3HG2  VAL  25          HG22      VAL  25  30.528 -17.416 -17.416
  154    H    MET  26           HN       MET  26  34.802 -16.271 -16.271
  155    HA   MET  26           HA       MET  26  37.196 -17.808 -17.808
  156   1HB   MET  26           HB2      MET  26  36.305 -14.961 -14.961
  157   2HB   MET  26           HB1      MET  26  38.044 -15.279 -15.279
  158   1HG   MET  26           HG2      MET  26  37.300 -15.296 -15.296
  159   2HG   MET  26           HG1      MET  26  37.696 -16.948 -16.948
  160   1HE   MET  26           HE3      MET  26  36.761 -17.337 -17.337
  161   2HE   MET  26           HE2      MET  26  35.252 -18.247 -18.247
  162   3HE   MET  26           HE1      MET  26  35.270 -16.595 -16.595
  163    H    ALA  27           HN       ALA  27  37.845 -18.698 -18.698
  164    HA   ALA  27           HA       ALA  27  38.138 -17.184 -17.184
  165   1HB   ALA  27           HB1      ALA  27  38.311 -19.803 -19.803
  166   2HB   ALA  27           HB3      ALA  27  40.033 -19.421 -19.421
  167   3HB   ALA  27           HB2      ALA  27  39.067 -19.097 -19.097
  168    H    ASN  28           HN       ASN  28  40.215 -17.566 -17.566
  169    HA   ASN  28           HA       ASN  28  42.555 -16.464 -16.464
  170   1HB   ASN  28           HB2      ASN  28  43.592 -16.628 -16.628
  171   2HB   ASN  28           HB1      ASN  28  42.400 -17.930 -17.930
  172   1HD2  ASN  28          HD22      ASN  28  40.253 -16.172 -16.172
  173   2HD2  ASN  28          HD21      ASN  28  40.191 -17.243 -17.243
  174    H    LYS  29           HN       LYS  29  39.935 -15.172 -15.172
  175    HA   LYS  29           HA       LYS  29  41.088 -12.455 -12.455
  176   1HB   LYS  29           HB2      LYS  29  39.437 -13.814 -13.814
  177   2HB   LYS  29           HB1      LYS  29  38.397 -12.605 -12.605
  178   1HG   LYS  29           HG2      LYS  29  39.392 -10.968 -10.968
  179   2HG   LYS  29           HG1      LYS  29  40.970 -11.435 -11.435
  180   1HD   LYS  29           HD2      LYS  29  41.028 -13.274 -13.274
  181   2HD   LYS  29           HD1      LYS  29  39.565 -12.582 -12.582
  182   1HE   LYS  29           HE2      LYS  29  40.987 -10.348 -10.348
  183   2HE   LYS  29           HE1      LYS  29  42.349 -11.470 -11.470
  184   1HZ   LYS  29           HZ3      LYS  29  40.218 -12.003 -12.003
  185   2HZ   LYS  29           HZ2      LYS  29  41.210 -10.660 -10.660
  186   3HZ   LYS  29           HZ1      LYS  29  41.895 -12.206 -12.206
  187    H    THR  30           HN       THR  30  40.794 -11.518 -11.518
  188    HA   THR  30           HA       THR  30  38.020 -11.606 -11.606
  189    HB   THR  30           HB       THR  30  40.546 -11.398 -11.398
  190    HG1  THR  30           HG1      THR  30  39.443 -13.559 -13.559
  191   1HG2  THR  30          HG21      THR  30  37.642 -11.539 -11.539
  192   2HG2  THR  30          HG23      THR  30  38.622 -12.589 -12.589
  193   3HG2  THR  30          HG22      THR  30  38.923 -10.852 -10.852
  194    H    LEU  31           HN       LEU  31  37.816  -9.690  -9.690
  195    HA   LEU  31           HA       LEU  31  38.728  -7.252  -7.252
  196   1HB   LEU  31           HB2      LEU  31  36.978  -7.069  -7.069
  197   2HB   LEU  31           HB1      LEU  31  36.921  -6.161  -6.161
  198    HG   LEU  31           HG       LEU  31  35.873  -8.935  -8.935
  199   1HD1  LEU  31          HD12      LEU  31  34.632  -6.541  -6.541
  200   2HD1  LEU  31          HD11      LEU  31  34.479  -6.909  -6.909
  201   3HD1  LEU  31          HD13      LEU  31  33.821  -8.020  -8.020
  202   1HD2  LEU  31          HD22      LEU  31  37.170  -8.002  -8.002
  203   2HD2  LEU  31          HD21      LEU  31  36.509  -9.598  -9.598
  204   3HD2  LEU  31          HD23      LEU  31  35.466  -8.339  -8.339
  205    H    LYS  32           HN       LYS  32  39.648  -9.158  -9.158
  206    HA   LYS  32           HA       LYS  32  40.277  -7.618  -7.618
  207   1HB   LYS  32           HB2      LYS  32  42.731  -8.726  -8.726
  208   2HB   LYS  32           HB1      LYS  32  41.315  -9.605  -9.605
  209   1HG   LYS  32           HG2      LYS  32  41.322  -9.747  -9.747
  210   2HG   LYS  32           HG1      LYS  32  42.945 -10.134 -10.134
  211   1HD   LYS  32           HD2      LYS  32  40.393 -11.388 -11.388
  212   2HD   LYS  32           HD1      LYS  32  41.515 -12.157 -12.157
  213   1HE   LYS  32           HE2      LYS  32  43.244 -11.437 -11.437
  214   2HE   LYS  32           HE1      LYS  32  41.786 -11.673 -11.673
  215   1HZ   LYS  32           HZ3      LYS  32  41.990 -13.767 -13.767
  216   2HZ   LYS  32           HZ2      LYS  32  43.485 -13.618 -13.618
  217   3HZ   LYS  32           HZ1      LYS  32  42.061 -13.848 -13.848
  218    H    LYS  33           HN       LYS  33  43.168  -7.866  -7.866
  219    HA   LYS  33           HA       LYS  33  43.213  -5.139  -5.139
  220   1HB   LYS  33           HB2      LYS  33  43.281  -4.599  -4.599
  221   2HB   LYS  33           HB1      LYS  33  44.630  -5.707  -5.707
  222   1HG   LYS  33           HG2      LYS  33  45.879  -4.306  -4.306
  223   2HG   LYS  33           HG1      LYS  33  44.603  -3.103  -3.103
  224   1HD   LYS  33           HD2      LYS  33  46.125  -2.380  -2.380
  225   2HD   LYS  33           HD1      LYS  33  45.169  -3.498  -3.498
  226   1HE   LYS  33           HE2      LYS  33  47.348  -4.210  -4.210
  227   2HE   LYS  33           HE1      LYS  33  46.893  -5.284  -5.284
  228   1HZ   LYS  33           HZ3      LYS  33  47.881  -3.494  -3.494
  229   2HZ   LYS  33           HZ2      LYS  33  48.611  -2.883  -2.883
  230   3HZ   LYS  33           HZ1      LYS  33  48.962  -4.459  -4.459
  231    H    GLU  34           HN       GLU  34  45.035  -7.990  -7.990
  232    HA   GLU  34           HA       GLU  34  47.420  -7.148  -7.148
  233   1HB   GLU  34           HB2      GLU  34  48.083  -9.610  -9.610
  234   2HB   GLU  34           HB1      GLU  34  47.877  -8.561  -8.561
  235   1HG   GLU  34           HG2      GLU  34  46.248  -9.888  -9.888
  236   2HG   GLU  34           HG1      GLU  34  45.336  -9.737  -9.737
  237    H    ALA  35           HN       ALA  35  45.044  -9.761  -9.761
  238    HA   ALA  35           HA       ALA  35  46.209 -10.426 -10.426
  239   1HB   ALA  35           HB1      ALA  35  44.015 -11.323 -11.323
  240   2HB   ALA  35           HB3      ALA  35  43.451 -11.083 -11.083
  241   3HB   ALA  35           HB2      ALA  35  44.811 -12.159 -12.159
  242    H    LEU  36           HN       LEU  36  43.228  -8.592  -8.592
  243    HA   LEU  36           HA       LEU  36  42.476  -7.925  -7.925
  244   1HB   LEU  36           HB2      LEU  36  41.790  -5.643  -5.643
  245   2HB   LEU  36           HB1      LEU  36  41.090  -7.084  -7.084
  246    HG   LEU  36           HG       LEU  36  43.689  -6.231  -6.231
  247   1HD1  LEU  36          HD11      LEU  36  41.775  -4.245  -4.245
  248   2HD1  LEU  36          HD13      LEU  36  41.532  -4.694  -4.694
  249   3HD1  LEU  36          HD12      LEU  36  43.118  -4.150  -4.150
  250   1HD2  LEU  36          HD21      LEU  36  41.321  -7.727  -7.727
  251   2HD2  LEU  36          HD23      LEU  36  42.870  -7.665  -7.665
  252   3HD2  LEU  36          HD22      LEU  36  41.613  -6.484  -6.484
  253    H    GLU  37           HN       GLU  37  45.338  -6.870  -6.870
  254    HA   GLU  37           HA       GLU  37  45.819  -4.837  -4.837
  255   1HB   GLU  37           HB2      GLU  37  47.374  -5.570  -5.570
  256   2HB   GLU  37           HB1      GLU  37  47.790  -4.246  -4.246
  257   1HG   GLU  37           HG2      GLU  37  45.748  -3.100  -3.100
  258   2HG   GLU  37           HG1      GLU  37  45.054  -4.508  -4.508
  259    H    GLN  38           HN       GLN  38  47.020  -8.012  -8.012
  260    HA   GLN  38           HA       GLN  38  49.407  -8.109  -8.109
  261   1HB   GLN  38           HB2      GLN  38  47.351 -10.330 -10.330
  262   2HB   GLN  38           HB1      GLN  38  49.040 -10.541 -10.541
  263   1HG   GLN  38           HG2      GLN  38  47.916  -9.681  -9.681
  264   2HG   GLN  38           HG1      GLN  38  48.980 -11.046 -11.046
  265   1HE2  GLN  38          HE22      GLN  38  51.710  -8.519  -8.519
  266   2HE2  GLN  38          HE21      GLN  38  50.856  -9.622  -9.622
  267    H    PHE  39           HN       PHE  39  46.055  -8.486  -8.486
  268    HA   PHE  39           HA       PHE  39  46.806  -8.797  -8.797
  269   1HB   PHE  39           HB2      PHE  39  43.995  -8.215  -8.215
  270   2HB   PHE  39           HB1      PHE  39  44.706  -9.596  -9.596
  271    HD1  PHE  39           HD1      PHE  39  45.682 -11.497 -11.497
  272    HD2  PHE  39           HD2      PHE  39  43.149  -8.393  -8.393
  273    HE1  PHE  39           HE1      PHE  39  45.138 -12.913 -12.913
  274    HE2  PHE  39           HE2      PHE  39  42.605  -9.796  -9.796
  275    HZ   PHE  39           HZ       PHE  39  43.599 -12.064 -12.064
  276    H    GLY  40           HN       GLY  40  45.080  -6.440  -6.440
  277   1HA   GLY  40           HA2      GLY  40  45.832  -4.039  -4.039
  278   2HA   GLY  40           HA1      GLY  40  45.569  -4.397  -4.397
  279    H    MET  41           HN       MET  41  43.289  -5.989  -5.989
  280    HA   MET  41           HA       MET  41  41.158  -4.218  -4.218
  281   1HB   MET  41           HB2      MET  41  39.673  -5.908  -5.908
  282   2HB   MET  41           HB1      MET  41  41.092  -6.786  -6.786
  283   1HG   MET  41           HG2      MET  41  41.881  -6.483  -6.483
  284   2HG   MET  41           HG1      MET  41  40.140  -6.333  -6.333
  285   1HE   MET  41           HE3      MET  41  39.765  -7.856  -7.856
  286   2HE   MET  41           HE2      MET  41  39.201  -9.453  -9.453
  287   3HE   MET  41           HE1      MET  41  40.823  -9.263  -9.263
  288    H    TYR  42           HN       TYR  42  43.230  -3.671  -3.671
  289    HA   TYR  42           HA       TYR  42  41.369  -3.156  -3.156
  290   1HB   TYR  42           HB2      TYR  42  43.551  -3.877  -3.877
  291   2HB   TYR  42           HB1      TYR  42  44.321  -2.696  -2.696
  292    HD1  TYR  42           HD1      TYR  42  41.629  -2.468  -2.468
  293    HD2  TYR  42           HD2      TYR  42  45.431  -1.058  -1.058
  294    HE1  TYR  42           HE1      TYR  42  41.726  -0.843  -0.843
  295    HE2  TYR  42           HE2      TYR  42  45.522   0.572   0.572
  296    HH   TYR  42           HH       TYR  42  43.001   0.635   0.635
  297    H    SER  43           HN       SER  43  41.542  -1.671  -1.671
  298    HA   SER  43           HA       SER  43  41.650   1.105   1.105
  299   1HB   SER  43           HB2      SER  43  42.315   1.812   1.812
  300   2HB   SER  43           HB1      SER  43  42.877   0.140   0.140
  301    HG   SER  43           HG       SER  43  41.277   1.247   1.247
  302    H    GLU  44           HN       GLU  44  39.880   2.536   2.536
  303    HA   GLU  44           HA       GLU  44  37.271   1.509   1.509
  304   1HB   GLU  44           HB2      GLU  44  38.399   4.019   4.019
  305   2HB   GLU  44           HB1      GLU  44  37.429   4.104   4.104
  306   1HG   GLU  44           HG2      GLU  44  35.522   3.088   3.088
  307   2HG   GLU  44           HG1      GLU  44  36.506   3.429   3.429
  308    H    ASP  45           HN       ASP  45  38.738   2.988   2.988
  309    HA   ASP  45           HA       ASP  45  36.647   2.415   2.415
  310   1HB   ASP  45           HB2      ASP  45  38.771   3.712   3.712
  311   2HB   ASP  45           HB1      ASP  45  39.518   2.147   2.147
  312    H    ALA  46           HN       ALA  46  38.890   0.202   0.202
  313    HA   ALA  46           HA       ALA  46  38.476  -1.947  -1.947
  314   1HB   ALA  46           HB1      ALA  46  40.048  -1.494  -1.494
  315   2HB   ALA  46           HB3      ALA  46  39.313  -3.098  -3.098
  316   3HB   ALA  46           HB2      ALA  46  40.352  -2.601  -2.601
  317    H    ILE  47           HN       ILE  47  37.789  -2.104  -2.104
  318    HA   ILE  47           HA       ILE  47  35.777  -4.078  -4.078
  319    HB   ILE  47           HB       ILE  47  36.977  -3.459  -3.459
  320   1HG1  ILE  47          HG12      ILE  47  33.973  -3.128  -3.128
  321   2HG1  ILE  47          HG11      ILE  47  34.851  -4.651  -4.651
  322   1HG2  ILE  47          HG23      ILE  47  36.166  -0.864  -0.864
  323   2HG2  ILE  47          HG22      ILE  47  35.300  -1.254  -1.254
  324   3HG2  ILE  47          HG21      ILE  47  37.061  -1.348  -1.348
  325   1HD1  ILE  47          HD12      ILE  47  36.103  -3.668  -3.668
  326   2HD1  ILE  47          HD11      ILE  47  34.942  -2.344  -2.344
  327   3HD1  ILE  47          HD13      ILE  47  34.394  -3.988  -3.988
  328    H    ILE  48           HN       ILE  48  35.676  -0.761  -0.761
  329    HA   ILE  48           HA       ILE  48  32.849  -0.307  -0.307
  330    HB   ILE  48           HB       ILE  48  35.022   1.127   1.127
  331   1HG1  ILE  48          HG12      ILE  48  33.172   1.950   1.950
  332   2HG1  ILE  48          HG11      ILE  48  34.835   1.404   1.404
  333   1HG2  ILE  48          HG22      ILE  48  32.164   1.238   1.238
  334   2HG2  ILE  48          HG21      ILE  48  32.793   2.797   2.797
  335   3HG2  ILE  48          HG23      ILE  48  33.491   2.004   2.004
  336   1HD1  ILE  48          HD11      ILE  48  34.103   3.748   3.748
  337   2HD1  ILE  48          HD13      ILE  48  34.491   3.936   3.936
  338   3HD1  ILE  48          HD12      ILE  48  35.700   3.301   3.301
  339    H    TYR  49           HN       TYR  49  34.850  -1.339  -1.339
  340    HA   TYR  49           HA       TYR  49  32.503  -1.600  -1.600
  341   1HB   TYR  49           HB2      TYR  49  34.652  -0.896  -0.896
  342   2HB   TYR  49           HB1      TYR  49  35.407  -2.384  -2.384
  343    HD1  TYR  49           HD1      TYR  49  34.576  -4.606  -4.606
  344    HD2  TYR  49           HD2      TYR  49  33.357  -0.860  -0.860
  345    HE1  TYR  49           HE1      TYR  49  33.800  -5.784  -5.784
  346    HE2  TYR  49           HE2      TYR  49  32.575  -2.038  -2.038
  347    HH   TYR  49           HH       TYR  49  33.392  -5.264  -5.264
  348    H    GLN  50           HN       GLN  50  34.223  -3.461  -3.461
  349    HA   GLN  50           HA       GLN  50  33.423  -6.062  -6.062
  350   1HB   GLN  50           HB2      GLN  50  35.440  -6.369  -6.369
  351   2HB   GLN  50           HB1      GLN  50  35.151  -5.065  -5.065
  352   1HG   GLN  50           HG2      GLN  50  35.057  -6.906  -6.906
  353   2HG   GLN  50           HG1      GLN  50  33.358  -6.745  -6.745
  354   1HE2  GLN  50          HE22      GLN  50  35.393  -9.637  -9.637
  355   2HE2  GLN  50          HE21      GLN  50  36.110  -8.115  -8.115
  356    H    VAL  51           HN       VAL  51  32.196  -3.673  -3.673
  357    HA   VAL  51           HA       VAL  51  30.289  -5.555  -5.555
  358    HB   VAL  51           HB       VAL  51  30.681  -2.568  -2.568
  359   1HG1  VAL  51          HG11      VAL  51  28.584  -4.321  -4.321
  360   2HG1  VAL  51          HG13      VAL  51  29.480  -3.856  -3.856
  361   3HG1  VAL  51          HG12      VAL  51  28.787  -2.617  -2.617
  362   1HG2  VAL  51          HG22      VAL  51  32.413  -4.540  -4.540
  363   2HG2  VAL  51          HG21      VAL  51  32.219  -3.000  -3.000
  364   3HG2  VAL  51          HG23      VAL  51  31.362  -4.427  -4.427
  365    H    GLN  52           HN       GLN  52  30.446  -2.831  -2.831
  366    HA   GLN  52           HA       GLN  52  27.636  -2.382  -2.382
  367   1HB   GLN  52           HB2      GLN  52  30.094  -1.404  -1.404
  368   2HB   GLN  52           HB1      GLN  52  28.732  -1.387  -1.387
  369   1HG   GLN  52           HG2      GLN  52  27.554  -0.436  -0.436
  370   2HG   GLN  52           HG1      GLN  52  29.193   0.182   0.182
  371   1HE2  GLN  52          HE22      GLN  52  28.782   1.766   1.766
  372   2HE2  GLN  52          HE21      GLN  52  29.712   0.443   0.443
  373    H    HIS  53           HN       HIS  53  29.573  -4.901  -4.901
  374    HA   HIS  53           HA       HIS  53  27.280  -5.657  -5.657
  375   1HB   HIS  53           HB2      HIS  53  29.790  -5.882  -5.882
  376   2HB   HIS  53           HB1      HIS  53  28.195  -5.486  -5.486
  377    HD1  HIS  53           HD1      HIS  53  28.233  -3.170  -3.170
  378    HD2  HIS  53           HD2      HIS  53  30.616  -3.438  -3.438
  379    HE1  HIS  53           HE1      HIS  53  29.172  -0.851  -0.851
  380    H    GLY  54           HN       GLY  54  28.971  -6.593  -6.593
  381   1HA   GLY  54           HA2      GLY  54  29.556  -8.757  -8.757
  382   2HA   GLY  54           HA1      GLY  54  28.991  -9.334  -9.334
  383    H    LYS  55           HN       LYS  55  30.739 -10.596 -10.596
  384    HA   LYS  55           HA       LYS  55  32.703 -10.002 -10.002
  385   1HB   LYS  55           HB2      LYS  55  33.391  -8.722  -8.722
  386   2HB   LYS  55           HB1      LYS  55  34.636  -9.828  -9.828
  387   1HG   LYS  55           HG2      LYS  55  34.674  -7.347  -7.347
  388   2HG   LYS  55           HG1      LYS  55  35.009  -8.681  -8.681
  389   1HD   LYS  55           HD2      LYS  55  32.176  -8.233  -8.233
  390   2HD   LYS  55           HD1      LYS  55  32.970  -6.675  -6.675
  391   1HE   LYS  55           HE2      LYS  55  33.246  -9.142  -9.142
  392   2HE   LYS  55           HE1      LYS  55  32.767  -7.516  -7.516
  393   1HZ   LYS  55           HZ1      LYS  55  35.198  -7.117  -7.117
  394   2HZ   LYS  55           HZ3      LYS  55  35.398  -8.628  -8.628
  395   3HZ   LYS  55           HZ2      LYS  55  34.898  -7.289  -7.289
  396    H    ASN  56           HN       ASN  56  33.191 -11.984 -11.984
  397    HA   ASN  56           HA       ASN  56  33.808 -14.223 -14.223
  398   1HB   ASN  56           HB2      ASN  56  34.814 -13.327 -13.327
  399   2HB   ASN  56           HB1      ASN  56  35.073 -14.952 -14.952
  400   1HD2  ASN  56          HD22      ASN  56  37.210 -11.810 -11.810
  401   2HD2  ASN  56          HD21      ASN  56  35.928 -11.535 -11.535
  402    H    ALA  57           HN       ALA  57  33.194 -14.024 -14.024
  403    HA   ALA  57           HA       ALA  57  30.594 -15.435 -15.435
  404   1HB   ALA  57           HB2      ALA  57  32.944 -16.191 -16.191
  405   2HB   ALA  57           HB1      ALA  57  31.361 -16.404 -16.404
  406   3HB   ALA  57           HB3      ALA  57  31.733 -17.216 -17.216
  407    H    MET  58           HN       MET  58  31.287 -12.582 -12.582
  408    HA   MET  58           HA       MET  58  30.099 -12.167 -12.167
  409   1HB   MET  58           HB2      MET  58  32.122 -10.957 -10.957
  410   2HB   MET  58           HB1      MET  58  31.821 -10.480 -10.480
  411   1HG   MET  58           HG2      MET  58  30.913  -8.590  -8.590
  412   2HG   MET  58           HG1      MET  58  29.674  -9.466  -9.466
  413   1HE   MET  58           HE2      MET  58  29.656  -7.294  -7.294
  414   2HE   MET  58           HE1      MET  58  29.547  -7.969  -7.969
  415   3HE   MET  58           HE3      MET  58  30.697  -6.670  -6.670
  416    HA   PRO  59           HA       PRO  59  26.300 -11.120 -11.120
  417   1HB   PRO  59           HB2      PRO  59  25.162  -9.834  -9.834
  418   2HB   PRO  59           HB1      PRO  59  25.296 -11.589 -11.589
  419   1HG   PRO  59           HG2      PRO  59  26.857  -9.715  -9.715
  420   2HG   PRO  59           HG1      PRO  59  26.502 -11.428 -11.428
  421   1HD   PRO  59           HD2      PRO  59  28.946 -10.372 -10.372
  422   2HD   PRO  59           HD1      PRO  59  28.450 -12.071 -12.071
  423    H    ALA  60           HN       ALA  60  26.450  -9.545  -9.545
  424    HA   ALA  60           HA       ALA  60  27.133  -6.818  -6.818
  425   1HB   ALA  60           HB1      ALA  60  25.229  -8.273  -8.273
  426   2HB   ALA  60           HB3      ALA  60  25.757  -6.614  -6.614
  427   3HB   ALA  60           HB2      ALA  60  26.923  -7.936  -7.936
  428    H    PHE  61           HN       PHE  61  26.121  -5.285  -5.285
  429    HA   PHE  61           HA       PHE  61  23.312  -5.678  -5.678
  430   1HB   PHE  61           HB2      PHE  61  25.218  -3.450  -3.450
  431   2HB   PHE  61           HB1      PHE  61  23.662  -3.792  -3.792
  432    HD1  PHE  61           HD1      PHE  61  23.684  -6.726  -6.726
  433    HD2  PHE  61           HD2      PHE  61  26.798  -3.955  -3.955
  434    HE1  PHE  61           HE1      PHE  61  24.753  -8.446  -8.446
  435    HE2  PHE  61           HE2      PHE  61  27.883  -5.677  -5.677
  436    HZ   PHE  61           HZ       PHE  61  26.858  -7.920  -7.920
  437    H    ALA  62           HN       ALA  62  25.355  -3.317  -3.317
  438    HA   ALA  62           HA       ALA  62  24.753  -1.567  -1.567
  439   1HB   ALA  62           HB2      ALA  62  24.148  -3.821  -3.821
  440   2HB   ALA  62           HB1      ALA  62  22.483  -3.313  -3.313
  441   3HB   ALA  62           HB3      ALA  62  23.562  -2.296  -2.296
  442    H    GLY  63           HN       GLY  63  23.243  -1.969  -1.969
  443   1HA   GLY  63           HA2      GLY  63  21.901   0.093   0.093
  444   2HA   GLY  63           HA1      GLY  63  20.828  -0.358  -0.358
  445    H    ARG  64           HN       ARG  64  22.482  -2.382  -2.382
  446    HA   ARG  64           HA       ARG  64  19.852  -3.565  -3.565
  447   1HB   ARG  64           HB2      ARG  64  21.992  -4.913  -4.913
  448   2HB   ARG  64           HB1      ARG  64  22.526  -4.621  -4.621
  449   1HG   ARG  64           HG2      ARG  64  20.509  -5.677  -5.677
  450   2HG   ARG  64           HG1      ARG  64  19.869  -5.872  -5.872
  451   1HD   ARG  64           HD2      ARG  64  21.961  -7.165  -7.165
  452   2HD   ARG  64           HD1      ARG  64  22.340  -7.145  -7.145
  453    HE   ARG  64           HE       ARG  64  19.763  -8.321  -8.321
  454   1HH1  ARG  64          HH11      ARG  64  21.860  -8.078  -8.078
  455   2HH1  ARG  64          HH12      ARG  64  21.938  -9.775  -9.775
  456   1HH2  ARG  64          HH21      ARG  64  20.245 -10.700 -10.700
  457   2HH2  ARG  64          HH22      ARG  64  21.023 -11.259 -11.259
  458    H    LEU  65           HN       LEU  65  22.956  -2.461  -2.461
  459    HA   LEU  65           HA       LEU  65  22.011  -2.202  -2.202
  460   1HB   LEU  65           HB2      LEU  65  24.294  -0.872  -0.872
  461   2HB   LEU  65           HB1      LEU  65  24.005  -0.643  -0.643
  462    HG   LEU  65           HG       LEU  65  25.595  -2.375  -2.375
  463   1HD1  LEU  65          HD11      LEU  65  23.239  -2.816  -2.816
  464   2HD1  LEU  65          HD13      LEU  65  23.182  -4.132  -4.132
  465   3HD1  LEU  65          HD12      LEU  65  24.512  -4.038  -4.038
  466   1HD2  LEU  65          HD21      LEU  65  25.252  -2.771  -2.771
  467   2HD2  LEU  65          HD23      LEU  65  25.547  -4.218  -4.218
  468   3HD2  LEU  65          HD22      LEU  65  23.910  -3.831  -3.831
  469    H    THR  66           HN       THR  66  22.879   0.685   0.685
  470    HA   THR  66           HA       THR  66  20.253   1.806   1.806
  471    HB   THR  66           HB       THR  66  22.348   2.688   2.688
  472    HG1  THR  66           HG1      THR  66  20.776   2.265   2.265
  473   1HG2  THR  66          HG21      THR  66  20.290   4.331   4.331
  474   2HG2  THR  66          HG23      THR  66  20.588   4.639   4.639
  475   3HG2  THR  66          HG22      THR  66  21.905   4.784   4.784
  476    H    ASP  67           HN       ASP  67  23.659   2.832   2.832
  477    HA   ASP  67           HA       ASP  67  24.250   3.429   3.429
  478   1HB   ASP  67           HB2      ASP  67  22.242   4.661   4.661
  479   2HB   ASP  67           HB1      ASP  67  22.350   5.540   5.540
  480    H    GLU  68           HN       GLU  68  23.752   5.427   5.427
  481    HA   GLU  68           HA       GLU  68  26.390   6.623   6.623
  482   1HB   GLU  68           HB2      GLU  68  24.281   6.321   6.321
  483   2HB   GLU  68           HB1      GLU  68  25.781   7.233   7.233
  484   1HG   GLU  68           HG2      GLU  68  24.987   8.349   8.349
  485   2HG   GLU  68           HG1      GLU  68  23.404   7.871   7.871
  486    H    GLN  69           HN       GLN  69  25.422   3.523   3.523
  487    HA   GLN  69           HA       GLN  69  27.576   2.906   2.906
  488   1HB   GLN  69           HB2      GLN  69  25.864   0.679   0.679
  489   2HB   GLN  69           HB1      GLN  69  26.215   1.438   1.438
  490   1HG   GLN  69           HG2      GLN  69  24.145   2.367   2.367
  491   2HG   GLN  69           HG1      GLN  69  23.799   1.560   1.560
  492   1HE2  GLN  69          HE22      GLN  69  25.556   4.862   4.862
  493   2HE2  GLN  69          HE21      GLN  69  26.368   3.430   3.430
  494    H    ILE  70           HN       ILE  70  26.294   2.414   2.414
  495    HA   ILE  70           HA       ILE  70  28.038   0.261   0.261
  496    HB   ILE  70           HB       ILE  70  27.088   2.689   2.689
  497   1HG1  ILE  70          HG12      ILE  70  25.173   1.385   1.385
  498   2HG1  ILE  70          HG11      ILE  70  25.656   0.838   0.838
  499   1HG2  ILE  70          HG21      ILE  70  29.194   1.585   1.585
  500   2HG2  ILE  70          HG23      ILE  70  28.256   0.106   0.106
  501   3HG2  ILE  70          HG22      ILE  70  27.836   1.550   1.550
  502   1HD1  ILE  70          HD11      ILE  70  26.974  -1.007  -1.007
  503   2HD1  ILE  70          HD13      ILE  70  26.194  -0.534  -0.534
  504   3HD1  ILE  70          HD12      ILE  70  25.223  -1.135  -1.135
  505    H    GLN  71           HN       GLN  71  28.372   3.545   3.545
  506    HA   GLN  71           HA       GLN  71  31.139   3.861   3.861
  507   1HB   GLN  71           HB2      GLN  71  28.879   5.518   5.518
  508   2HB   GLN  71           HB1      GLN  71  30.501   6.087   6.087
  509   1HG   GLN  71           HG2      GLN  71  29.625   7.018   7.018
  510   2HG   GLN  71           HG1      GLN  71  31.103   6.081   6.081
  511   1HE2  GLN  71          HE22      GLN  71  27.539   4.548   4.548
  512   2HE2  GLN  71          HE21      GLN  71  27.526   5.773   5.773
  513    H    ASP  72           HN       ASP  72  29.404   4.692   4.692
  514    HA   ASP  72           HA       ASP  72  31.434   4.753   4.753
  515   1HB   ASP  72           HB2      ASP  72  28.535   4.081   4.081
  516   2HB   ASP  72           HB1      ASP  72  29.509   3.686   3.686
  517    H    VAL  73           HN       VAL  73  29.570   1.890   1.890
  518    HA   VAL  73           HA       VAL  73  30.821   0.012   0.012
  519    HB   VAL  73           HB       VAL  73  28.715  -0.148  -0.148
  520   1HG1  VAL  73          HG11      VAL  73  30.313   0.047   0.047
  521   2HG1  VAL  73          HG13      VAL  73  30.726  -1.634  -1.634
  522   3HG1  VAL  73          HG12      VAL  73  29.064  -1.197  -1.197
  523   1HG2  VAL  73          HG22      VAL  73  30.501  -2.110  -2.110
  524   2HG2  VAL  73          HG21      VAL  73  28.739  -2.029  -2.029
  525   3HG2  VAL  73          HG23      VAL  73  29.569  -2.777  -2.777
  526    H    ALA  74           HN       ALA  74  31.750   1.187   1.187
  527    HA   ALA  74           HA       ALA  74  33.873  -0.744  -0.744
  528   1HB   ALA  74           HB2      ALA  74  32.887   1.638   1.638
  529   2HB   ALA  74           HB1      ALA  74  34.650   1.573   1.573
  530   3HB   ALA  74           HB3      ALA  74  33.726   0.234   0.234
  531    H    ALA  75           HN       ALA  75  34.000   2.734   2.734
  532    HA   ALA  75           HA       ALA  75  36.659   2.780   2.780
  533   1HB   ALA  75           HB2      ALA  75  34.198   4.476   4.476
  534   2HB   ALA  75           HB1      ALA  75  35.575   4.761   4.761
  535   3HB   ALA  75           HB3      ALA  75  35.771   4.914   4.914
  536    H    TYR  76           HN       TYR  76  33.727   1.497   1.497
  537    HA   TYR  76           HA       TYR  76  34.206   1.583   1.583
  538   1HB   TYR  76           HB2      TYR  76  31.971   1.074   1.074
  539   2HB   TYR  76           HB1      TYR  76  32.598  -0.356  -0.356
  540    HD1  TYR  76           HD1      TYR  76  31.935   1.146   1.146
  541    HD2  TYR  76           HD2      TYR  76  32.873  -2.399  -2.399
  542    HE1  TYR  76           HE1      TYR  76  31.472  -0.124  -0.124
  543    HE2  TYR  76           HE2      TYR  76  32.401  -3.742  -3.742
  544    HH   TYR  76           HH       TYR  76  32.210  -3.522  -3.522
  545    H    VAL  77           HN       VAL  77  34.887  -0.831  -0.831
  546    HA   VAL  77           HA       VAL  77  36.162  -2.646  -2.646
  547    HB   VAL  77           HB       VAL  77  36.282  -2.333  -2.333
  548   1HG1  VAL  77          HG13      VAL  77  37.561  -4.467  -4.467
  549   2HG1  VAL  77          HG12      VAL  77  37.473  -4.507  -4.507
  550   3HG1  VAL  77          HG11      VAL  77  38.423  -3.260  -3.260
  551   1HG2  VAL  77          HG22      VAL  77  34.655  -3.831  -3.831
  552   2HG2  VAL  77          HG21      VAL  77  34.287  -3.383  -3.383
  553   3HG2  VAL  77          HG23      VAL  77  35.264  -4.813  -4.813
  554    H    LEU  78           HN       LEU  78  37.130   0.228   0.228
  555    HA   LEU  78           HA       LEU  78  39.996  -0.290  -0.290
  556   1HB   LEU  78           HB2      LEU  78  38.933   2.434   2.434
  557   2HB   LEU  78           HB1      LEU  78  40.370   1.625   1.625
  558    HG   LEU  78           HG       LEU  78  37.488   1.175   1.175
  559   1HD1  LEU  78          HD11      LEU  78  39.809   2.505   2.505
  560   2HD1  LEU  78          HD13      LEU  78  39.232   1.244   1.244
  561   3HD1  LEU  78          HD12      LEU  78  38.139   2.526   2.526
  562   1HD2  LEU  78          HD21      LEU  78  39.571  -0.799  -0.799
  563   2HD2  LEU  78          HD23      LEU  78  37.913  -0.997  -0.997
  564   3HD2  LEU  78          HD22      LEU  78  39.182  -0.532  -0.532
  565    H    ASP  79           HN       ASP  79  37.475   0.623   0.623
  566    HA   ASP  79           HA       ASP  79  39.063   2.438   2.438
  567   1HB   ASP  79           HB2      ASP  79  36.517   2.664   2.664
  568   2HB   ASP  79           HB1      ASP  79  36.296   1.514   1.514
  569    H    GLN  80           HN       GLN  80  37.303  -0.629  -0.629
  570    HA   GLN  80           HA       GLN  80  38.102  -1.291  -1.291
  571   1HB   GLN  80           HB2      GLN  80  36.981  -2.858  -2.858
  572   2HB   GLN  80           HB1      GLN  80  37.404  -3.585  -3.585
  573   1HG   GLN  80           HG2      GLN  80  35.187  -3.077  -3.077
  574   2HG   GLN  80           HG1      GLN  80  35.980  -1.634  -1.634
  575   1HE2  GLN  80          HE22      GLN  80  34.346   0.456   0.456
  576   2HE2  GLN  80          HE21      GLN  80  35.128   0.290   0.290
  577    H    ALA  81           HN       ALA  81  39.459  -1.902  -1.902
  578    HA   ALA  81           HA       ALA  81  41.257  -3.992  -3.992
  579   1HB   ALA  81           HB3      ALA  81  40.712  -2.582  -2.582
  580   2HB   ALA  81           HB2      ALA  81  42.299  -1.941  -1.941
  581   3HB   ALA  81           HB1      ALA  81  42.085  -3.673  -3.673
  582    H    ALA  82           HN       ALA  82  41.780  -0.488  -0.488
  583    HA   ALA  82           HA       ALA  82  44.278  -0.754  -0.754
  584   1HB   ALA  82           HB3      ALA  82  42.886   1.390   1.390
  585   2HB   ALA  82           HB2      ALA  82  43.904   1.912   1.912
  586   3HB   ALA  82           HB1      ALA  82  44.598   0.965   0.965
  587    H    LYS  83           HN       LYS  83  41.426  -1.245  -1.245
  588    HA   LYS  83           HA       LYS  83  41.820   0.475   0.475
  589   1HB   LYS  83           HB2      LYS  83  39.979   1.460   1.460
  590   2HB   LYS  83           HB1      LYS  83  39.216  -0.116  -0.116
  591   1HG   LYS  83           HG2      LYS  83  38.521  -0.218  -0.218
  592   2HG   LYS  83           HG1      LYS  83  39.831   0.817   0.817
  593   1HD   LYS  83           HD2      LYS  83  37.947   2.100   2.100
  594   2HD   LYS  83           HD1      LYS  83  37.257   1.665   1.665
  595   1HE   LYS  83           HE2      LYS  83  38.622   3.124   3.124
  596   2HE   LYS  83           HE1      LYS  83  39.930   3.001   3.001
  597   1HZ   LYS  83           HZ3      LYS  83  38.376   4.202   4.202
  598   2HZ   LYS  83           HZ2      LYS  83  37.424   4.560   4.560
  599   3HZ   LYS  83           HZ1      LYS  83  39.025   5.121   5.121
  600    H    GLY  84           HN       GLY  84  41.910  -2.625  -2.625
  601   1HA   GLY  84           HA2      GLY  84  41.978  -4.532  -4.532
  602   2HA   GLY  84           HA1      GLY  84  41.395  -3.527  -3.527
  603    H    TRP  85           HN       TRP  85  40.403  -5.021  -5.021
  604    HA   TRP  85           HA       TRP  85  37.685  -4.709  -4.709
  605   1HB   TRP  85           HB2      TRP  85  39.466  -7.014  -7.014
  606   2HB   TRP  85           HB1      TRP  85  37.751  -7.383  -7.383
  607    HD1  TRP  85           HD1      TRP  85  40.242  -6.227  -6.227
  608    HE1  TRP  85           HE1      TRP  85  39.094  -5.177  -5.177
  609    HE3  TRP  85           HE3      TRP  85  35.538  -5.703  -5.703
  610    HZ2  TRP  85           HZ2      TRP  85  36.524  -4.258  -4.258
  611    HZ3  TRP  85           HZ3      TRP  85  33.761  -4.704  -4.704
  612    HH2  TRP  85           HH2      TRP  85  34.227  -3.970  -3.970
  613    H    ALA  86           HN       ALA  86  36.936  -4.330  -4.330
  614    HA   ALA  86           HA       ALA  86  36.008  -4.943  -4.943
  615   1HB   ALA  86           HB3      ALA  86  34.821  -6.380  -6.380
  616   2HB   ALA  86           HB2      ALA  86  35.075  -7.556  -7.556
  617   3HB   ALA  86           HB1      ALA  86  34.143  -6.093  -6.093
  618    H    GLY  87           HN       GLY  87  38.796  -5.917  -5.917
  619   1HA   GLY  87           HA2      GLY  87  39.409  -8.474  -8.474
  620   2HA   GLY  87           HA1      GLY  87  40.383  -7.082  -7.082
  621    HHA  HEC  88           HA       HEM  88  36.161 -10.562 -10.562
  622    HHB  HEC  88           HB       HEM  88  33.918  -5.691  -5.691
  623    HHC  HEC  88           HC       HEM  88  28.257  -8.516  -8.516
  624    HHD  HEC  88           HD       HEM  88  30.622 -13.522 -13.522
  625   1HMA  HEC  88          HMA1      HEM  88  36.610  -5.238  -5.238
  626   2HMA  HEC  88          HMA2      HEM  88  37.552  -6.370  -6.370
  627   3HMA  HEC  88          HMA3      HEM  88  36.031  -5.613  -5.613
  628   1HAA  HEC  88          HAA1      HEM  88  37.858  -9.350  -9.350
  629   2HAA  HEC  88          HAA2      HEM  88  38.254  -7.689  -7.689
  630   1HBA  HEC  88          HBA1      HEM  88  36.482  -8.052  -8.052
  631   2HBA  HEC  88          HBA2      HEM  88  37.541  -6.661  -6.661
  632   1HMB  HEC  88          HMB1      HEM  88  30.966  -3.963  -3.963
  633   2HMB  HEC  88          HMB2      HEM  88  32.702  -4.437  -4.437
  634   3HMB  HEC  88          HMB3      HEM  88  31.743  -4.973  -4.973
  635    HAB  HEC  88           HAB      HEM  88  28.908  -4.976  -4.976
  636   1HBB  HEC  88          HBB1      HEM  88  27.258  -7.263  -7.263
  637   2HBB  HEC  88          HBB2      HEM  88  27.671  -6.983  -6.983
  638   3HBB  HEC  88          HBB3      HEM  88  26.687  -5.775  -5.775
  639   1HMC  HEC  88          HMC1      HEM  88  26.619  -9.637  -9.637
  640   2HMC  HEC  88          HMC2      HEM  88  26.199 -11.369 -11.369
  641   3HMC  HEC  88          HMC3      HEM  88  26.868 -10.886 -10.886
  642    HAC  HEC  88           HAC      HEM  88  29.107 -14.118 -14.118
  643   1HBC  HEC  88          HBC1      HEM  88  26.993 -14.836 -14.836
  644   2HBC  HEC  88          HBC2      HEM  88  27.163 -13.250 -13.250
  645   3HBC  HEC  88          HBC3      HEM  88  26.148 -13.378 -13.378
  646   1HMD  HEC  88          HMD1      HEM  88  33.445 -15.315 -15.315
  647   2HMD  HEC  88          HMD2      HEM  88  31.776 -14.764 -14.764
  648   3HMD  HEC  88          HMD3      HEM  88  33.097 -14.664 -14.664
  649   1HAD  HEC  88          HAD1      HEM  88  35.715 -14.136 -14.136
  650   2HAD  HEC  88          HAD2      HEM  88  36.480 -12.512 -12.512
  651   1HBD  HEC  88          HBD1      HEM  88  35.092 -13.755 -13.755
  652   2HBD  HEC  88          HBD2      HEM  88  34.878 -11.979 -11.979

  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1  28.226  13.064  13.064
    2   2H    ALA   1           HT3      ALA   1  27.559  12.931  12.931
    3   3H    ALA   1           HT2      ALA   1  26.539  13.055  13.055
    4    HA   ALA   1           HA       ALA   1  26.427  10.849  10.849
    5   1HB   ALA   1           HB3      ALA   1  28.668  11.189  11.189
    6   2HB   ALA   1           HB2      ALA   1  28.338   9.584   9.584
    7   3HB   ALA   1           HB1      ALA   1  27.083  10.451  10.451
    8    H    ASP   2           HN       ASP   2  27.045   9.457   9.457
    9    HA   ASP   2           HA       ASP   2  29.699   9.998   9.998
   10   1HB   ASP   2           HB2      ASP   2  27.607  10.576  10.576
   11   2HB   ASP   2           HB1      ASP   2  27.236   8.847   8.847
   12    H    LEU   3           HN       LEU   3  30.876   8.128   8.128
   13    HA   LEU   3           HA       LEU   3  30.465   5.759   5.759
   14   1HB   LEU   3           HB2      LEU   3  32.445   6.682   6.682
   15   2HB   LEU   3           HB1      LEU   3  32.198   4.934   4.934
   16    HG   LEU   3           HG       LEU   3  32.331   6.043   6.043
   17   1HD1  LEU   3          HD11      LEU   3  33.849   7.587   7.587
   18   2HD1  LEU   3          HD13      LEU   3  34.962   6.226   6.226
   19   3HD1  LEU   3          HD12      LEU   3  34.409   7.065   7.065
   20   1HD2  LEU   3          HD22      LEU   3  33.886   3.997   3.997
   21   2HD2  LEU   3          HD21      LEU   3  32.637   3.697   3.697
   22   3HD2  LEU   3          HD23      LEU   3  34.209   4.325   4.325
   23    H    ALA   4           HN       ALA   4  28.879   6.896   6.896
   24    HA   ALA   4           HA       ALA   4  28.534   4.546   4.546
   25   1HB   ALA   4           HB3      ALA   4  26.933   7.068   7.068
   26   2HB   ALA   4           HB2      ALA   4  26.280   5.757   5.757
   27   3HB   ALA   4           HB1      ALA   4  27.782   6.552   6.552
   28    H    ASN   5           HN       ASN   5  27.194   5.812   5.812
   29    HA   ASN   5           HA       ASN   5  24.987   3.967   3.967
   30   1HB   ASN   5           HB2      ASN   5  26.117   6.210   6.210
   31   2HB   ASN   5           HB1      ASN   5  25.913   4.890   4.890
   32   1HD2  ASN   5          HD22      ASN   5  22.631   6.528   6.528
   33   2HD2  ASN   5          HD21      ASN   5  24.201   6.768   6.768
   34    H    GLY   6           HN       GLY   6  28.398   3.918   3.918
   35   1HA   GLY   6           HA2      GLY   6  28.513   1.782   1.782
   36   2HA   GLY   6           HA1      GLY   6  29.798   2.216   2.216
   37    H    ALA   7           HN       ALA   7  29.172   1.624   1.624
   38    HA   ALA   7           HA       ALA   7  29.236  -1.078  -1.078
   39   1HB   ALA   7           HB1      ALA   7  28.463   1.241   1.241
   40   2HB   ALA   7           HB3      ALA   7  27.646  -0.237  -0.237
   41   3HB   ALA   7           HB2      ALA   7  29.409  -0.177  -0.177
   42    H    LYS   8           HN       LYS   8  26.393   0.844   0.844
   43    HA   LYS   8           HA       LYS   8  24.492  -1.254  -1.254
   44   1HB   LYS   8           HB2      LYS   8  23.518   0.878   0.878
   45   2HB   LYS   8           HB1      LYS   8  24.474   1.323   1.323
   46   1HG   LYS   8           HG2      LYS   8  22.799  -0.975  -0.975
   47   2HG   LYS   8           HG1      LYS   8  21.818   0.343   0.343
   48   1HD   LYS   8           HD2      LYS   8  23.587   0.329   0.329
   49   2HD   LYS   8           HD1      LYS   8  21.881   0.753   0.753
   50   1HE   LYS   8           HE2      LYS   8  23.173   2.507   2.507
   51   2HE   LYS   8           HE1      LYS   8  24.219   2.430   2.430
   52   1HZ   LYS   8           HZ2      LYS   8  22.055   2.719   2.719
   53   2HZ   LYS   8           HZ1      LYS   8  21.386   3.245   3.245
   54   3HZ   LYS   8           HZ3      LYS   8  22.693   4.083   4.083
   55    H    VAL   9           HN       VAL   9  25.973   0.023   0.023
   56    HA   VAL   9           HA       VAL   9  24.956  -1.803  -1.803
   57    HB   VAL   9           HB       VAL   9  27.795  -0.750  -0.750
   58   1HG1  VAL   9          HG13      VAL   9  25.940  -1.952  -1.952
   59   2HG1  VAL   9          HG12      VAL   9  27.134  -0.769  -0.769
   60   3HG1  VAL   9          HG11      VAL   9  27.656  -2.259  -2.259
   61   1HG2  VAL   9          HG21      VAL   9  25.183   0.529   0.529
   62   2HG2  VAL   9          HG23      VAL   9  26.385   1.158   1.158
   63   3HG2  VAL   9          HG22      VAL   9  26.740   1.096   1.096
   64    H    PHE  10           HN       PHE  10  28.128  -2.115  -2.115
   65    HA   PHE  10           HA       PHE  10  28.663  -4.690  -4.690
   66   1HB   PHE  10           HB2      PHE  10  30.318  -3.307  -3.307
   67   2HB   PHE  10           HB1      PHE  10  29.440  -3.591  -3.591
   68    HD1  PHE  10           HD1      PHE  10  29.044  -5.917  -5.917
   69    HD2  PHE  10           HD2      PHE  10  31.898  -4.895  -4.895
   70    HE1  PHE  10           HE1      PHE  10  30.162  -8.084  -8.084
   71    HE2  PHE  10           HE2      PHE  10  33.032  -7.056  -7.056
   72    HZ   PHE  10           HZ       PHE  10  32.172  -8.670  -8.670
   73    H    SER  11           HN       SER  11  26.724  -3.651  -3.651
   74    HA   SER  11           HA       SER  11  26.347  -6.436  -6.436
   75   1HB   SER  11           HB2      SER  11  26.580  -4.868  -4.868
   76   2HB   SER  11           HB1      SER  11  25.426  -3.754  -3.754
   77    HG   SER  11           HG       SER  11  23.877  -4.812  -4.812
   78    H    GLY  12           HN       GLY  12  25.230  -5.256  -5.256
   79   1HA   GLY  12           HA2      GLY  12  22.523  -6.322  -6.322
   80   2HA   GLY  12           HA1      GLY  12  22.676  -4.737  -4.737
   81    H    ASN  13           HN       ASN  13  25.335  -6.229  -6.229
   82    HA   ASN  13           HA       ASN  13  23.926  -7.838  -7.838
   83   1HB   ASN  13           HB2      ASN  13  25.790  -5.725  -5.725
   84   2HB   ASN  13           HB1      ASN  13  24.415  -6.483  -6.483
   85   1HD2  ASN  13          HD22      ASN  13  23.863  -3.093  -3.093
   86   2HD2  ASN  13          HD21      ASN  13  25.405  -3.804  -3.804
   87    H    CYS  14           HN       CYS  14  26.531  -7.619  -7.619
   88    HA   CYS  14           HA       CYS  14  28.156  -9.328  -9.328
   89   1HB   CYS  14           HB2      CYS  14  29.629  -7.695  -7.695
   90   2HB   CYS  14           HB1      CYS  14  30.072  -8.127  -8.127
   91    H    ALA  15           HN       ALA  15  27.632  -8.389  -8.389
   92    HA   ALA  15           HA       ALA  15  29.036 -10.010 -10.010
   93   1HB   ALA  15           HB1      ALA  15  26.037  -9.713  -9.713
   94   2HB   ALA  15           HB3      ALA  15  26.912 -10.553 -10.553
   95   3HB   ALA  15           HB2      ALA  15  27.230  -8.846  -8.846
   96    H    ALA  16           HN       ALA  16  26.370 -11.321 -11.321
   97    HA   ALA  16           HA       ALA  16  26.618 -14.023 -14.023
   98   1HB   ALA  16           HB3      ALA  16  24.718 -13.047 -13.047
   99   2HB   ALA  16           HB2      ALA  16  25.771 -13.113 -13.113
  100   3HB   ALA  16           HB1      ALA  16  25.307 -14.602 -14.602
  101    H    CYS  17           HN       CYS  17  27.988 -12.504 -12.504
  102    HA   CYS  17           HA       CYS  17  29.747 -14.850 -14.850
  103   1HB   CYS  17           HB2      CYS  17  29.317 -12.417 -12.417
  104   2HB   CYS  17           HB1      CYS  17  30.379 -13.752 -13.752
  105    H    HIS  18           HN       HIS  18  30.054 -12.755 -12.755
  106    HA   HIS  18           HA       HIS  18  32.941 -12.372 -12.372
  107   1HB   HIS  18           HB2      HIS  18  30.909 -10.171 -10.171
  108   2HB   HIS  18           HB1      HIS  18  32.472  -9.842  -9.842
  109    HD1  HIS  18           HD1      HIS  18  34.603 -10.380 -10.380
  110    HD2  HIS  18           HD2      HIS  18  30.989 -10.159 -10.159
  111    HE1  HIS  18           HE1      HIS  18  35.185 -10.137 -10.137
  112    H    MET  19           HN       MET  19  30.537 -10.720 -10.720
  113    HA   MET  19           HA       MET  19  30.492 -10.409 -10.409
  114   1HB   MET  19           HB2      MET  19  30.186 -13.149 -13.149
  115   2HB   MET  19           HB1      MET  19  31.049 -13.039 -13.039
  116   1HG   MET  19           HG2      MET  19  29.259 -11.347 -11.347
  117   2HG   MET  19           HG1      MET  19  28.342 -11.891 -11.891
  118   1HE   MET  19           HE1      MET  19  30.291 -12.610 -12.610
  119   2HE   MET  19           HE3      MET  19  28.914 -13.015 -13.015
  120   3HE   MET  19           HE2      MET  19  30.013 -14.280 -14.280
  121    H    GLY  20           HN       GLY  20  32.286  -9.211  -9.211
  122   1HA   GLY  20           HA2      GLY  20  34.273  -8.902  -8.902
  123   2HA   GLY  20           HA1      GLY  20  34.391 -10.654 -10.654
  124    H    GLY  21           HN       GLY  21  34.354  -8.485  -8.485
  125   1HA   GLY  21           HA2      GLY  21  35.664  -8.638  -8.638
  126   2HA   GLY  21           HA1      GLY  21  36.960  -8.394  -8.394
  127    H    GLY  22           HN       GLY  22  34.819 -11.204 -11.204
  128   1HA   GLY  22           HA2      GLY  22  37.276 -12.790 -12.790
  129   2HA   GLY  22           HA1      GLY  22  36.037 -13.407 -13.407
  130    H    ASN  23           HN       ASN  23  36.960 -13.034 -13.034
  131    HA   ASN  23           HA       ASN  23  34.589 -13.190 -13.190
  132   1HB   ASN  23           HB2      ASN  23  37.048 -13.338 -13.338
  133   2HB   ASN  23           HB1      ASN  23  36.842 -15.081 -15.081
  134   1HD2  ASN  23          HD22      ASN  23  34.260 -13.270 -13.270
  135   2HD2  ASN  23          HD21      ASN  23  34.608 -12.498 -12.498
  136    H    VAL  24           HN       VAL  24  33.532 -15.199 -15.199
  137    HA   VAL  24           HA       VAL  24  33.334 -17.308 -17.308
  138    HB   VAL  24           HB       VAL  24  31.203 -16.264 -16.264
  139   1HG1  VAL  24          HG13      VAL  24  31.620 -16.443 -16.443
  140   2HG1  VAL  24          HG12      VAL  24  30.125 -15.908 -15.908
  141   3HG1  VAL  24          HG11      VAL  24  31.605 -14.972 -14.972
  142   1HG2  VAL  24          HG21      VAL  24  31.256 -18.705 -18.705
  143   2HG2  VAL  24          HG23      VAL  24  31.036 -18.700 -18.700
  144   3HG2  VAL  24          HG22      VAL  24  29.794 -18.012 -18.012
  145    H    VAL  25           HN       VAL  25  33.444 -16.728 -16.728
  146    HA   VAL  25           HA       VAL  25  33.751 -19.629 -19.629
  147    HB   VAL  25           HB       VAL  25  33.953 -17.466 -17.466
  148   1HG1  VAL  25          HG12      VAL  25  34.117 -20.232 -20.232
  149   2HG1  VAL  25          HG11      VAL  25  32.440 -19.926 -19.926
  150   3HG1  VAL  25          HG13      VAL  25  33.750 -19.202 -19.202
  151   1HG2  VAL  25          HG21      VAL  25  31.505 -18.480 -18.480
  152   2HG2  VAL  25          HG23      VAL  25  31.935 -16.819 -16.819
  153   3HG2  VAL  25          HG22      VAL  25  31.401 -17.925 -17.925
  154    H    MET  26           HN       MET  26  35.535 -16.803 -16.803
  155    HA   MET  26           HA       MET  26  37.990 -18.393 -18.393
  156   1HB   MET  26           HB2      MET  26  37.581 -15.422 -15.422
  157   2HB   MET  26           HB1      MET  26  38.991 -16.372 -16.372
  158   1HG   MET  26           HG2      MET  26  36.196 -17.054 -17.054
  159   2HG   MET  26           HG1      MET  26  37.235 -15.938 -15.938
  160   1HE   MET  26           HE1      MET  26  36.564 -17.297 -17.297
  161   2HE   MET  26           HE3      MET  26  38.143 -17.669 -17.669
  162   3HE   MET  26           HE2      MET  26  37.002 -18.966 -18.966
  163    H    ALA  27           HN       ALA  27  38.774 -18.856 -18.856
  164    HA   ALA  27           HA       ALA  27  38.667 -17.038 -17.038
  165   1HB   ALA  27           HB3      ALA  27  39.069 -19.614 -19.614
  166   2HB   ALA  27           HB2      ALA  27  40.762 -19.185 -19.185
  167   3HB   ALA  27           HB1      ALA  27  39.917 -18.647 -18.647
  168    H    ASN  28           HN       ASN  28  41.056 -17.598 -17.598
  169    HA   ASN  28           HA       ASN  28  43.176 -16.113 -16.113
  170   1HB   ASN  28           HB2      ASN  28  43.979 -15.901 -15.901
  171   2HB   ASN  28           HB1      ASN  28  43.710 -17.551 -17.551
  172   1HD2  ASN  28          HD22      ASN  28  41.328 -16.013 -16.013
  173   2HD2  ASN  28          HD21      ASN  28  42.443 -15.014 -15.014
  174    H    LYS  29           HN       LYS  29  40.605 -15.204 -15.204
  175    HA   LYS  29           HA       LYS  29  41.440 -12.389 -12.389
  176   1HB   LYS  29           HB2      LYS  29  40.091 -13.967 -13.967
  177   2HB   LYS  29           HB1      LYS  29  38.795 -13.007 -13.007
  178   1HG   LYS  29           HG2      LYS  29  39.432 -11.355 -11.355
  179   2HG   LYS  29           HG1      LYS  29  40.855 -11.169 -11.169
  180   1HD   LYS  29           HD2      LYS  29  42.215 -12.395 -12.395
  181   2HD   LYS  29           HD1      LYS  29  40.861 -13.309 -13.309
  182   1HE   LYS  29           HE2      LYS  29  40.082 -10.994 -10.994
  183   2HE   LYS  29           HE1      LYS  29  41.755 -10.512 -10.512
  184   1HZ   LYS  29           HZ3      LYS  29  40.989 -12.935 -12.935
  185   2HZ   LYS  29           HZ2      LYS  29  41.272 -11.428 -11.428
  186   3HZ   LYS  29           HZ1      LYS  29  42.523 -12.222 -12.222
  187    H    THR  30           HN       THR  30  41.149 -12.141 -12.141
  188    HA   THR  30           HA       THR  30  38.298 -12.069 -12.069
  189    HB   THR  30           HB       THR  30  40.100 -13.242 -13.242
  190    HG1  THR  30           HG1      THR  30  39.046 -12.664 -12.664
  191   1HG2  THR  30          HG21      THR  30  40.837 -10.353 -10.353
  192   2HG2  THR  30          HG23      THR  30  41.437 -11.736 -11.736
  193   3HG2  THR  30          HG22      THR  30  41.854 -11.557 -11.557
  194    H    LEU  31           HN       LEU  31  38.127 -10.142 -10.142
  195    HA   LEU  31           HA       LEU  31  38.639  -7.665  -7.665
  196   1HB   LEU  31           HB2      LEU  31  36.872  -8.335  -8.335
  197   2HB   LEU  31           HB1      LEU  31  37.161  -6.679  -6.679
  198    HG   LEU  31           HG       LEU  31  35.410  -8.733  -8.733
  199   1HD1  LEU  31          HD11      LEU  31  35.593  -5.835  -5.835
  200   2HD1  LEU  31          HD13      LEU  31  34.926  -6.323  -6.323
  201   3HD1  LEU  31          HD12      LEU  31  34.166  -6.871  -6.871
  202   1HD2  LEU  31          HD22      LEU  31  37.265  -8.900  -8.900
  203   2HD2  LEU  31          HD21      LEU  31  35.797  -8.225  -8.225
  204   3HD2  LEU  31          HD23      LEU  31  37.139  -7.164  -7.164
  205    H    LYS  32           HN       LYS  32  39.702  -9.357  -9.357
  206    HA   LYS  32           HA       LYS  32  40.405  -7.532  -7.532
  207   1HB   LYS  32           HB2      LYS  32  41.699  -9.988  -9.988
  208   2HB   LYS  32           HB1      LYS  32  42.779  -8.903  -8.903
  209   1HG   LYS  32           HG2      LYS  32  41.904  -9.710  -9.710
  210   2HG   LYS  32           HG1      LYS  32  40.388  -8.921  -8.921
  211   1HD   LYS  32           HD2      LYS  32  39.678 -11.126 -11.126
  212   2HD   LYS  32           HD1      LYS  32  40.068 -11.075 -11.075
  213   1HE   LYS  32           HE2      LYS  32  42.492 -11.732 -11.732
  214   2HE   LYS  32           HE1      LYS  32  41.529 -12.400 -12.400
  215   1HZ   LYS  32           HZ3      LYS  32  40.883 -12.959 -12.959
  216   2HZ   LYS  32           HZ2      LYS  32  42.010 -13.900 -13.900
  217   3HZ   LYS  32           HZ1      LYS  32  40.397 -13.812 -13.812
  218    H    LYS  33           HN       LYS  33  43.126  -8.334  -8.334
  219    HA   LYS  33           HA       LYS  33  43.518  -5.780  -5.780
  220   1HB   LYS  33           HB2      LYS  33  45.253  -4.851  -4.851
  221   2HB   LYS  33           HB1      LYS  33  43.683  -4.946  -4.946
  222   1HG   LYS  33           HG2      LYS  33  44.375  -7.132  -7.132
  223   2HG   LYS  33           HG1      LYS  33  45.974  -6.914  -6.914
  224   1HD   LYS  33           HD2      LYS  33  44.674  -4.970  -4.970
  225   2HD   LYS  33           HD1      LYS  33  45.884  -6.172  -6.172
  226   1HE   LYS  33           HE2      LYS  33  47.571  -4.892  -4.892
  227   2HE   LYS  33           HE1      LYS  33  46.728  -4.593  -4.593
  228   1HZ   LYS  33           HZ1      LYS  33  45.473  -3.227  -3.227
  229   2HZ   LYS  33           HZ3      LYS  33  47.113  -2.809  -2.809
  230   3HZ   LYS  33           HZ2      LYS  33  46.111  -2.601  -2.601
  231    H    GLU  34           HN       GLU  34  45.151  -8.458  -8.458
  232    HA   GLU  34           HA       GLU  34  47.628  -8.326  -8.326
  233   1HB   GLU  34           HB2      GLU  34  47.719 -10.829 -10.829
  234   2HB   GLU  34           HB1      GLU  34  47.465  -9.754  -9.754
  235   1HG   GLU  34           HG2      GLU  34  45.276 -10.416 -10.416
  236   2HG   GLU  34           HG1      GLU  34  45.037 -10.732 -10.732
  237    H    ALA  35           HN       ALA  35  44.583  -9.751  -9.751
  238    HA   ALA  35           HA       ALA  35  45.900 -10.910 -10.910
  239   1HB   ALA  35           HB2      ALA  35  44.132 -12.175 -12.175
  240   2HB   ALA  35           HB1      ALA  35  42.971 -10.944 -10.944
  241   3HB   ALA  35           HB3      ALA  35  43.760 -11.948 -11.948
  242    H    LEU  36           HN       LEU  36  43.336  -8.533  -8.533
  243    HA   LEU  36           HA       LEU  36  42.840  -7.807  -7.807
  244   1HB   LEU  36           HB2      LEU  36  42.128  -5.569  -5.569
  245   2HB   LEU  36           HB1      LEU  36  41.302  -7.006  -7.006
  246    HG   LEU  36           HG       LEU  36  43.789  -6.275  -6.275
  247   1HD1  LEU  36          HD13      LEU  36  41.848  -4.279  -4.279
  248   2HD1  LEU  36          HD12      LEU  36  41.638  -4.746  -4.746
  249   3HD1  LEU  36          HD11      LEU  36  43.208  -4.178  -4.178
  250   1HD2  LEU  36          HD22      LEU  36  41.220  -7.624  -7.624
  251   2HD2  LEU  36          HD21      LEU  36  42.759  -7.855  -7.855
  252   3HD2  LEU  36          HD23      LEU  36  41.671  -6.563  -6.563
  253    H    GLU  37           HN       GLU  37  45.375  -6.782  -6.782
  254    HA   GLU  37           HA       GLU  37  46.353  -4.887  -4.887
  255   1HB   GLU  37           HB2      GLU  37  47.068  -5.409  -5.409
  256   2HB   GLU  37           HB1      GLU  37  48.070  -4.385  -4.385
  257   1HG   GLU  37           HG2      GLU  37  45.216  -3.791  -3.791
  258   2HG   GLU  37           HG1      GLU  37  45.812  -3.558  -3.558
  259    H    GLN  38           HN       GLN  38  46.652  -8.097  -8.097
  260    HA   GLN  38           HA       GLN  38  49.467  -8.518  -8.518
  261   1HB   GLN  38           HB2      GLN  38  47.427 -10.073 -10.073
  262   2HB   GLN  38           HB1      GLN  38  47.424 -10.500 -10.500
  263   1HG   GLN  38           HG2      GLN  38  49.458 -11.042 -11.042
  264   2HG   GLN  38           HG1      GLN  38  48.910 -12.050 -12.050
  265   1HE2  GLN  38          HE22      GLN  38  52.007  -9.435  -9.435
  266   2HE2  GLN  38          HE21      GLN  38  51.066  -9.341  -9.341
  267    H    PHE  39           HN       PHE  39  46.629  -9.019  -9.019
  268    HA   PHE  39           HA       PHE  39  48.232  -8.983  -8.983
  269   1HB   PHE  39           HB2      PHE  39  45.635  -9.143  -9.143
  270   2HB   PHE  39           HB1      PHE  39  46.687 -10.505 -10.505
  271    HD1  PHE  39           HD1      PHE  39  44.114  -8.290  -8.290
  272    HD2  PHE  39           HD2      PHE  39  46.215 -12.049 -12.049
  273    HE1  PHE  39           HE1      PHE  39  42.583  -9.152  -9.152
  274    HE2  PHE  39           HE2      PHE  39  44.688 -12.881 -12.881
  275    HZ   PHE  39           HZ       PHE  39  42.872 -11.429 -11.429
  276    H    GLY  40           HN       GLY  40  45.502  -7.104  -7.104
  277   1HA   GLY  40           HA2      GLY  40  46.010  -4.573  -4.573
  278   2HA   GLY  40           HA1      GLY  40  46.153  -4.996  -4.996
  279    H    MET  41           HN       MET  41  43.945  -4.530  -4.530
  280    HA   MET  41           HA       MET  41  41.726  -3.962  -3.962
  281   1HB   MET  41           HB2      MET  41  40.292  -5.846  -5.846
  282   2HB   MET  41           HB1      MET  41  41.730  -6.425  -6.425
  283   1HG   MET  41           HG2      MET  41  42.048  -7.738  -7.738
  284   2HG   MET  41           HG1      MET  41  42.596  -6.272  -6.272
  285   1HE   MET  41           HE2      MET  41  40.542  -9.166  -9.166
  286   2HE   MET  41           HE1      MET  41  41.312  -8.835  -8.835
  287   3HE   MET  41           HE3      MET  41  39.551  -8.948  -8.948
  288    H    TYR  42           HN       TYR  42  43.219  -2.992  -2.992
  289    HA   TYR  42           HA       TYR  42  41.086  -3.019  -3.019
  290   1HB   TYR  42           HB2      TYR  42  43.449  -3.633  -3.633
  291   2HB   TYR  42           HB1      TYR  42  43.934  -1.990  -1.990
  292    HD1  TYR  42           HD1      TYR  42  40.643  -2.338  -2.338
  293    HD2  TYR  42           HD2      TYR  42  44.818  -1.774  -1.774
  294    HE1  TYR  42           HE1      TYR  42  40.086  -1.561  -1.561
  295    HE2  TYR  42           HE2      TYR  42  44.258  -0.993  -0.993
  296    HH   TYR  42           HH       TYR  42  42.254   0.059   0.059
  297    H    SER  43           HN       SER  43  41.220  -1.370  -1.370
  298    HA   SER  43           HA       SER  43  41.221   1.357   1.357
  299   1HB   SER  43           HB2      SER  43  42.238   0.302   0.302
  300   2HB   SER  43           HB1      SER  43  40.913   1.383   1.383
  301    HG   SER  43           HG       SER  43  43.248   2.172   2.172
  302    H    GLU  44           HN       GLU  44  39.409   2.682   2.682
  303    HA   GLU  44           HA       GLU  44  36.820   1.736   1.736
  304   1HB   GLU  44           HB2      GLU  44  36.308   4.077   4.077
  305   2HB   GLU  44           HB1      GLU  44  36.872   3.993   3.993
  306   1HG   GLU  44           HG2      GLU  44  38.886   4.909   4.909
  307   2HG   GLU  44           HG1      GLU  44  39.037   3.965   3.965
  308    H    ASP  45           HN       ASP  45  38.195   3.171   3.171
  309    HA   ASP  45           HA       ASP  45  36.167   2.434   2.434
  310   1HB   ASP  45           HB2      ASP  45  38.146   3.810   3.810
  311   2HB   ASP  45           HB1      ASP  45  39.081   2.321   2.321
  312    H    ALA  46           HN       ALA  46  38.819   0.388   0.388
  313    HA   ALA  46           HA       ALA  46  38.364  -1.820  -1.820
  314   1HB   ALA  46           HB3      ALA  46  40.336  -1.437  -1.437
  315   2HB   ALA  46           HB2      ALA  46  39.299  -2.080  -2.080
  316   3HB   ALA  46           HB1      ALA  46  39.727  -3.088  -3.088
  317    H    ILE  47           HN       ILE  47  37.562  -1.928  -1.928
  318    HA   ILE  47           HA       ILE  47  35.624  -3.995  -3.995
  319    HB   ILE  47           HB       ILE  47  36.845  -3.376  -3.376
  320   1HG1  ILE  47          HG12      ILE  47  33.824  -3.425  -3.425
  321   2HG1  ILE  47          HG11      ILE  47  34.879  -4.836  -4.836
  322   1HG2  ILE  47          HG22      ILE  47  35.654  -0.867  -0.867
  323   2HG2  ILE  47          HG21      ILE  47  34.920  -1.492  -1.492
  324   3HG2  ILE  47          HG23      ILE  47  36.672  -1.314  -1.314
  325   1HD1  ILE  47          HD11      ILE  47  36.000  -3.878  -3.878
  326   2HD1  ILE  47          HD13      ILE  47  34.697  -2.692  -2.692
  327   3HD1  ILE  47          HD12      ILE  47  34.334  -4.406  -4.406
  328    H    ILE  48           HN       ILE  48  35.437  -0.727  -0.727
  329    HA   ILE  48           HA       ILE  48  32.614  -0.329  -0.329
  330    HB   ILE  48           HB       ILE  48  34.720   1.213   1.213
  331   1HG1  ILE  48          HG12      ILE  48  32.760   2.002   2.002
  332   2HG1  ILE  48          HG11      ILE  48  34.385   1.397   1.397
  333   1HG2  ILE  48          HG21      ILE  48  31.851   1.246   1.246
  334   2HG2  ILE  48          HG23      ILE  48  32.456   2.817   2.817
  335   3HG2  ILE  48          HG22      ILE  48  33.172   2.022   2.022
  336   1HD1  ILE  48          HD12      ILE  48  35.273   3.273   3.273
  337   2HD1  ILE  48          HD11      ILE  48  33.634   3.914   3.914
  338   3HD1  ILE  48          HD13      ILE  48  34.470   3.816   3.816
  339    H    TYR  49           HN       TYR  49  34.535  -1.319  -1.319
  340    HA   TYR  49           HA       TYR  49  32.093  -1.627  -1.627
  341   1HB   TYR  49           HB2      TYR  49  34.133  -0.810  -0.810
  342   2HB   TYR  49           HB1      TYR  49  34.999  -2.265  -2.265
  343    HD1  TYR  49           HD1      TYR  49  34.260  -4.510  -4.510
  344    HD2  TYR  49           HD2      TYR  49  32.635  -0.831  -0.831
  345    HE1  TYR  49           HE1      TYR  49  33.371  -5.711  -5.711
  346    HE2  TYR  49           HE2      TYR  49  31.742  -2.032  -2.032
  347    HH   TYR  49           HH       TYR  49  31.100  -4.328  -4.328
  348    H    GLN  50           HN       GLN  50  34.028  -3.406  -3.406
  349    HA   GLN  50           HA       GLN  50  33.266  -6.032  -6.032
  350   1HB   GLN  50           HB2      GLN  50  35.395  -6.204  -6.204
  351   2HB   GLN  50           HB1      GLN  50  35.085  -5.003  -5.003
  352   1HG   GLN  50           HG2      GLN  50  35.183  -6.914  -6.914
  353   2HG   GLN  50           HG1      GLN  50  33.462  -6.898  -6.898
  354   1HE2  GLN  50          HE22      GLN  50  35.695  -9.422  -9.422
  355   2HE2  GLN  50          HE21      GLN  50  36.271  -7.857  -7.857
  356    H    VAL  51           HN       VAL  51  32.019  -3.658  -3.658
  357    HA   VAL  51           HA       VAL  51  30.340  -5.585  -5.585
  358    HB   VAL  51           HB       VAL  51  30.734  -2.590  -2.590
  359   1HG1  VAL  51          HG13      VAL  51  28.572  -4.306  -4.306
  360   2HG1  VAL  51          HG12      VAL  51  29.360  -3.391  -3.391
  361   3HG1  VAL  51          HG11      VAL  51  28.655  -2.547  -2.547
  362   1HG2  VAL  51          HG22      VAL  51  32.440  -4.359  -4.359
  363   2HG2  VAL  51          HG21      VAL  51  31.953  -3.028  -3.028
  364   3HG2  VAL  51          HG23      VAL  51  31.232  -4.624  -4.624
  365    H    GLN  52           HN       GLN  52  29.999  -2.730  -2.730
  366    HA   GLN  52           HA       GLN  52  27.170  -2.667  -2.667
  367   1HB   GLN  52           HB2      GLN  52  29.421  -1.433  -1.433
  368   2HB   GLN  52           HB1      GLN  52  28.165  -1.792  -1.792
  369   1HG   GLN  52           HG2      GLN  52  26.535  -0.534  -0.534
  370   2HG   GLN  52           HG1      GLN  52  27.552  -0.454  -0.454
  371   1HE2  GLN  52          HE22      GLN  52  29.828   1.938   1.938
  372   2HE2  GLN  52          HE21      GLN  52  29.974   0.441   0.441
  373    H    HIS  53           HN       HIS  53  29.312  -4.998  -4.998
  374    HA   HIS  53           HA       HIS  53  27.126  -6.215  -6.215
  375   1HB   HIS  53           HB2      HIS  53  29.582  -6.189  -6.189
  376   2HB   HIS  53           HB1      HIS  53  27.940  -5.954  -5.954
  377    HD1  HIS  53           HD1      HIS  53  27.768  -3.711  -3.711
  378    HD2  HIS  53           HD2      HIS  53  30.278  -3.612  -3.612
  379    HE1  HIS  53           HE1      HIS  53  28.565  -1.318  -1.318
  380    H    GLY  54           HN       GLY  54  28.999  -6.633  -6.633
  381   1HA   GLY  54           HA2      GLY  54  30.283  -8.419  -8.419
  382   2HA   GLY  54           HA1      GLY  54  29.383  -9.411  -9.411
  383    H    LYS  55           HN       LYS  55  30.884 -10.524 -10.524
  384    HA   LYS  55           HA       LYS  55  32.361  -9.858  -9.858
  385   1HB   LYS  55           HB2      LYS  55  33.606  -8.650  -8.650
  386   2HB   LYS  55           HB1      LYS  55  34.704  -9.751  -9.751
  387   1HG   LYS  55           HG2      LYS  55  34.565  -7.239  -7.239
  388   2HG   LYS  55           HG1      LYS  55  34.706  -8.539  -8.539
  389   1HD   LYS  55           HD2      LYS  55  31.915  -8.076  -8.076
  390   2HD   LYS  55           HD1      LYS  55  32.690  -6.555  -6.555
  391   1HE   LYS  55           HE2      LYS  55  33.667  -7.703  -7.703
  392   2HE   LYS  55           HE1      LYS  55  32.687  -9.115  -9.115
  393   1HZ   LYS  55           HZ3      LYS  55  31.619  -6.388  -6.388
  394   2HZ   LYS  55           HZ2      LYS  55  31.609  -7.655  -7.655
  395   3HZ   LYS  55           HZ1      LYS  55  30.705  -7.784  -7.784
  396    H    ASN  56           HN       ASN  56  32.768 -11.809 -11.809
  397    HA   ASN  56           HA       ASN  56  33.598 -13.991 -13.991
  398   1HB   ASN  56           HB2      ASN  56  34.611 -13.667 -13.667
  399   2HB   ASN  56           HB1      ASN  56  35.178 -14.803 -14.803
  400   1HD2  ASN  56          HD22      ASN  56  36.227 -11.487 -11.487
  401   2HD2  ASN  56          HD21      ASN  56  34.785 -12.352 -12.352
  402    H    ALA  57           HN       ALA  57  32.932 -13.923 -13.923
  403    HA   ALA  57           HA       ALA  57  30.463 -15.509 -15.509
  404   1HB   ALA  57           HB1      ALA  57  32.913 -16.490 -16.490
  405   2HB   ALA  57           HB3      ALA  57  31.679 -16.468 -16.468
  406   3HB   ALA  57           HB2      ALA  57  31.395 -17.355 -17.355
  407    H    MET  58           HN       MET  58  31.012 -12.688 -12.688
  408    HA   MET  58           HA       MET  58  29.908 -12.675 -12.675
  409   1HB   MET  58           HB2      MET  58  32.015 -11.447 -11.447
  410   2HB   MET  58           HB1      MET  58  31.274 -10.467 -10.467
  411   1HG   MET  58           HG2      MET  58  29.606  -9.648  -9.648
  412   2HG   MET  58           HG1      MET  58  30.409 -10.604 -10.604
  413   1HE   MET  58           HE3      MET  58  30.158  -8.275  -8.275
  414   2HE   MET  58           HE2      MET  58  31.148  -6.862  -6.862
  415   3HE   MET  58           HE1      MET  58  29.823  -7.292  -7.292
  416    HA   PRO  59           HA       PRO  59  26.085 -11.324 -11.324
  417   1HB   PRO  59           HB2      PRO  59  24.951 -10.483 -10.483
  418   2HB   PRO  59           HB1      PRO  59  25.093 -12.177 -12.177
  419   1HG   PRO  59           HG2      PRO  59  26.609 -10.652 -10.652
  420   2HG   PRO  59           HG1      PRO  59  26.346 -12.392 -12.392
  421   1HD   PRO  59           HD2      PRO  59  28.690 -10.965 -10.965
  422   2HD   PRO  59           HD1      PRO  59  28.369 -12.677 -12.677
  423    H    ALA  60           HN       ALA  60  26.068  -9.483  -9.483
  424    HA   ALA  60           HA       ALA  60  27.089  -6.975  -6.975
  425   1HB   ALA  60           HB1      ALA  60  25.720  -7.730  -7.730
  426   2HB   ALA  60           HB3      ALA  60  24.270  -7.525  -7.525
  427   3HB   ALA  60           HB2      ALA  60  25.261  -6.125  -6.125
  428    H    PHE  61           HN       PHE  61  26.170  -4.939  -4.939
  429    HA   PHE  61           HA       PHE  61  24.045  -5.177  -5.177
  430   1HB   PHE  61           HB2      PHE  61  26.882  -4.434  -4.434
  431   2HB   PHE  61           HB1      PHE  61  25.551  -3.848  -3.848
  432    HD1  PHE  61           HD1      PHE  61  23.777  -6.365  -6.365
  433    HD2  PHE  61           HD2      PHE  61  27.885  -5.794  -5.794
  434    HE1  PHE  61           HE1      PHE  61  23.721  -8.466  -8.466
  435    HE2  PHE  61           HE2      PHE  61  27.836  -7.892  -7.892
  436    HZ   PHE  61           HZ       PHE  61  25.751  -9.226  -9.226
  437    H    ALA  62           HN       ALA  62  24.678  -3.745  -3.745
  438    HA   ALA  62           HA       ALA  62  24.918  -0.970  -0.970
  439   1HB   ALA  62           HB1      ALA  62  25.136  -2.011  -2.011
  440   2HB   ALA  62           HB3      ALA  62  23.391  -2.265  -2.265
  441   3HB   ALA  62           HB2      ALA  62  24.043  -0.627  -0.627
  442    H    GLY  63           HN       GLY  63  22.412  -3.146  -3.146
  443   1HA   GLY  63           HA2      GLY  63  20.569  -0.852  -0.852
  444   2HA   GLY  63           HA1      GLY  63  19.966  -2.363  -2.363
  445    H    ARG  64           HN       ARG  64  22.520  -2.843  -2.843
  446    HA   ARG  64           HA       ARG  64  20.630  -3.819  -3.819
  447   1HB   ARG  64           HB2      ARG  64  23.314  -4.658  -4.658
  448   2HB   ARG  64           HB1      ARG  64  23.040  -4.791  -4.791
  449   1HG   ARG  64           HG2      ARG  64  21.240  -5.961  -5.961
  450   2HG   ARG  64           HG1      ARG  64  22.394  -6.877  -6.877
  451   1HD   ARG  64           HD2      ARG  64  21.206  -6.006  -6.006
  452   2HD   ARG  64           HD1      ARG  64  19.954  -5.389  -5.389
  453    HE   ARG  64           HE       ARG  64  19.170  -7.600  -7.600
  454   1HH1  ARG  64          HH21      ARG  64  20.809  -9.383  -9.383
  455   2HH1  ARG  64          HH22      ARG  64  21.599 -10.274 -10.274
  456   1HH2  ARG  64          HH11      ARG  64  20.875  -7.946  -7.946
  457   2HH2  ARG  64          HH12      ARG  64  21.637  -9.460  -9.460
  458    H    LEU  65           HN       LEU  65  23.700  -2.126  -2.126
  459    HA   LEU  65           HA       LEU  65  23.446  -0.944  -0.944
  460   1HB   LEU  65           HB2      LEU  65  25.717  -0.065  -0.065
  461   2HB   LEU  65           HB1      LEU  65  25.697  -0.684  -0.684
  462    HG   LEU  65           HG       LEU  65  25.604  -2.293  -2.293
  463   1HD1  LEU  65          HD11      LEU  65  27.629  -1.903  -1.903
  464   2HD1  LEU  65          HD13      LEU  65  27.661  -3.330  -3.330
  465   3HD1  LEU  65          HD12      LEU  65  27.853  -1.728  -1.728
  466   1HD2  LEU  65          HD22      LEU  65  24.362  -2.913  -2.913
  467   2HD2  LEU  65          HD21      LEU  65  24.757  -4.049  -4.049
  468   3HD2  LEU  65          HD23      LEU  65  25.884  -3.804  -3.804
  469    H    THR  66           HN       THR  66  22.589   0.979   0.979
  470    HA   THR  66           HA       THR  66  21.308   2.531   2.531
  471    HB   THR  66           HB       THR  66  22.824   3.805   3.805
  472    HG1  THR  66           HG1      THR  66  21.037   3.131   3.131
  473   1HG2  THR  66          HG23      THR  66  20.601   4.505   4.505
  474   2HG2  THR  66          HG22      THR  66  20.205   4.705   4.705
  475   3HG2  THR  66          HG21      THR  66  21.595   5.546   5.546
  476    H    ASP  67           HN       ASP  67  22.110   4.973   4.973
  477    HA   ASP  67           HA       ASP  67  24.254   4.737   4.737
  478   1HB   ASP  67           HB2      ASP  67  22.888   7.169   7.169
  479   2HB   ASP  67           HB1      ASP  67  24.064   7.248   7.248
  480    H    GLU  68           HN       GLU  68  24.045   6.674   6.674
  481    HA   GLU  68           HA       GLU  68  26.895   7.157   7.157
  482   1HB   GLU  68           HB2      GLU  68  24.809   7.319   7.319
  483   2HB   GLU  68           HB1      GLU  68  26.389   8.112   8.112
  484   1HG   GLU  68           HG2      GLU  68  25.649   9.798   9.798
  485   2HG   GLU  68           HG1      GLU  68  24.804   8.686   8.686
  486    H    GLN  69           HN       GLN  69  25.256   4.358   4.358
  487    HA   GLN  69           HA       GLN  69  26.876   3.272   3.272
  488   1HB   GLN  69           HB2      GLN  69  24.296   2.580   2.580
  489   2HB   GLN  69           HB1      GLN  69  25.218   1.258   1.258
  490   1HG   GLN  69           HG2      GLN  69  23.592   2.201   2.201
  491   2HG   GLN  69           HG1      GLN  69  25.240   2.504   2.504
  492   1HE2  GLN  69          HE22      GLN  69  25.121   5.971   5.971
  493   2HE2  GLN  69          HE21      GLN  69  26.180   4.656   4.656
  494    H    ILE  70           HN       ILE  70  26.359   3.120   3.120
  495    HA   ILE  70           HA       ILE  70  27.977   0.705   0.705
  496    HB   ILE  70           HB       ILE  70  27.240   2.962   2.962
  497   1HG1  ILE  70          HG12      ILE  70  25.383   1.475   1.475
  498   2HG1  ILE  70          HG11      ILE  70  25.630   1.413   1.413
  499   1HG2  ILE  70          HG22      ILE  70  28.718   0.358   0.358
  500   2HG2  ILE  70          HG21      ILE  70  27.959   1.252   1.252
  501   3HG2  ILE  70          HG23      ILE  70  29.265   1.989   1.989
  502   1HD1  ILE  70          HD13      ILE  70  27.133  -0.519  -0.519
  503   2HD1  ILE  70          HD12      ILE  70  25.417  -0.811  -0.811
  504   3HD1  ILE  70          HD11      ILE  70  26.528  -0.716  -0.716
  505    H    GLN  71           HN       GLN  71  28.308   4.105   4.105
  506    HA   GLN  71           HA       GLN  71  31.093   4.350   4.350
  507   1HB   GLN  71           HB2      GLN  71  28.860   6.016   6.016
  508   2HB   GLN  71           HB1      GLN  71  30.492   6.593   6.593
  509   1HG   GLN  71           HG2      GLN  71  29.577   7.481   7.481
  510   2HG   GLN  71           HG1      GLN  71  31.024   6.499   6.499
  511   1HE2  GLN  71          HE22      GLN  71  27.402   5.107   5.107
  512   2HE2  GLN  71          HE21      GLN  71  27.464   6.430   6.430
  513    H    ASP  72           HN       ASP  72  29.327   5.074   5.074
  514    HA   ASP  72           HA       ASP  72  31.438   5.209   5.209
  515   1HB   ASP  72           HB2      ASP  72  29.237   6.076   6.076
  516   2HB   ASP  72           HB1      ASP  72  28.536   4.468   4.468
  517    H    VAL  73           HN       VAL  73  29.669   2.398   2.398
  518    HA   VAL  73           HA       VAL  73  30.614   0.599   0.599
  519    HB   VAL  73           HB       VAL  73  28.660   0.108   0.108
  520   1HG1  VAL  73          HG13      VAL  73  30.240   0.852   0.852
  521   2HG1  VAL  73          HG12      VAL  73  30.549  -0.884  -0.884
  522   3HG1  VAL  73          HG11      VAL  73  28.903  -0.278  -0.278
  523   1HG2  VAL  73          HG23      VAL  73  30.974  -1.761  -1.761
  524   2HG2  VAL  73          HG22      VAL  73  29.416  -1.766  -1.766
  525   3HG2  VAL  73          HG21      VAL  73  29.532  -2.305  -2.305
  526    H    ALA  74           HN       ALA  74  31.869   1.820   1.820
  527    HA   ALA  74           HA       ALA  74  34.011  -0.126  -0.126
  528   1HB   ALA  74           HB3      ALA  74  33.127   1.522   1.522
  529   2HB   ALA  74           HB2      ALA  74  34.156   2.714   2.714
  530   3HB   ALA  74           HB1      ALA  74  34.868   1.258   1.258
  531    H    ALA  75           HN       ALA  75  33.897   3.293   3.293
  532    HA   ALA  75           HA       ALA  75  36.456   3.416   3.416
  533   1HB   ALA  75           HB2      ALA  75  33.885   4.928   4.928
  534   2HB   ALA  75           HB1      ALA  75  35.002   5.114   5.114
  535   3HB   ALA  75           HB3      ALA  75  35.522   5.531   5.531
  536    H    TYR  76           HN       TYR  76  33.479   1.927   1.927
  537    HA   TYR  76           HA       TYR  76  33.858   1.658   1.658
  538   1HB   TYR  76           HB2      TYR  76  31.664   1.267   1.267
  539   2HB   TYR  76           HB1      TYR  76  32.381  -0.149  -0.149
  540    HD1  TYR  76           HD1      TYR  76  33.842  -0.874  -0.874
  541    HD2  TYR  76           HD2      TYR  76  29.932  -0.184  -0.184
  542    HE1  TYR  76           HE1      TYR  76  32.983  -2.356  -2.356
  543    HE2  TYR  76           HE2      TYR  76  29.068  -1.654  -1.654
  544    HH   TYR  76           HH       TYR  76  30.376  -2.369  -2.369
  545    H    VAL  77           HN       VAL  77  34.591  -0.501  -0.501
  546    HA   VAL  77           HA       VAL  77  35.979  -2.436  -2.436
  547    HB   VAL  77           HB       VAL  77  36.040  -1.772  -1.772
  548   1HG1  VAL  77          HG12      VAL  77  37.762  -3.575  -3.575
  549   2HG1  VAL  77          HG11      VAL  77  37.084  -4.271  -4.271
  550   3HG1  VAL  77          HG13      VAL  77  38.079  -2.817  -2.817
  551   1HG2  VAL  77          HG22      VAL  77  34.536  -3.571  -3.571
  552   2HG2  VAL  77          HG21      VAL  77  34.057  -2.862  -2.862
  553   3HG2  VAL  77          HG23      VAL  77  35.078  -4.300  -4.300
  554    H    LEU  78           HN       LEU  78  36.888   0.683   0.683
  555    HA   LEU  78           HA       LEU  78  39.773   0.141   0.141
  556   1HB   LEU  78           HB2      LEU  78  38.636   2.895   2.895
  557   2HB   LEU  78           HB1      LEU  78  40.163   2.230   2.230
  558    HG   LEU  78           HG       LEU  78  37.393   1.797   1.797
  559   1HD1  LEU  78          HD13      LEU  78  39.545   3.411   3.411
  560   2HD1  LEU  78          HD12      LEU  78  39.660   2.046   2.046
  561   3HD1  LEU  78          HD11      LEU  78  38.178   2.997   2.997
  562   1HD2  LEU  78          HD21      LEU  78  39.575  -0.146  -0.146
  563   2HD2  LEU  78          HD23      LEU  78  37.896  -0.390  -0.390
  564   3HD2  LEU  78          HD22      LEU  78  39.076   0.174   0.174
  565    H    ASP  79           HN       ASP  79  37.180   0.914   0.914
  566    HA   ASP  79           HA       ASP  79  38.726   2.519   2.519
  567   1HB   ASP  79           HB2      ASP  79  36.186   2.776   2.776
  568   2HB   ASP  79           HB1      ASP  79  35.936   1.618   1.618
  569    H    GLN  80           HN       GLN  80  37.000  -0.524  -0.524
  570    HA   GLN  80           HA       GLN  80  37.517  -1.498  -1.498
  571   1HB   GLN  80           HB2      GLN  80  36.908  -3.062  -3.062
  572   2HB   GLN  80           HB1      GLN  80  36.598  -3.542  -3.542
  573   1HG   GLN  80           HG2      GLN  80  35.366  -1.155  -1.155
  574   2HG   GLN  80           HG1      GLN  80  34.554  -2.702  -2.702
  575   1HE2  GLN  80          HE22      GLN  80  34.914  -0.171  -0.171
  576   2HE2  GLN  80          HE21      GLN  80  35.722   0.169   0.169
  577    H    ALA  81           HN       ALA  81  38.963  -2.071  -2.071
  578    HA   ALA  81           HA       ALA  81  41.016  -3.852  -3.852
  579   1HB   ALA  81           HB3      ALA  81  40.608  -2.481  -2.481
  580   2HB   ALA  81           HB2      ALA  81  42.024  -3.477  -3.477
  581   3HB   ALA  81           HB1      ALA  81  40.411  -4.190  -4.190
  582    H    ALA  82           HN       ALA  82  40.570  -0.547  -0.547
  583    HA   ALA  82           HA       ALA  82  43.280   0.324   0.324
  584   1HB   ALA  82           HB3      ALA  82  40.723   1.526   1.526
  585   2HB   ALA  82           HB2      ALA  82  42.033   2.207   2.207
  586   3HB   ALA  82           HB1      ALA  82  42.121   2.249   2.249
  587    H    LYS  83           HN       LYS  83  41.715  -1.318  -1.318
  588    HA   LYS  83           HA       LYS  83  44.071  -1.479  -1.479
  589   1HB   LYS  83           HB2      LYS  83  43.449   0.010   0.010
  590   2HB   LYS  83           HB1      LYS  83  43.762   0.908   0.908
  591   1HG   LYS  83           HG2      LYS  83  40.959   0.000   0.000
  592   2HG   LYS  83           HG1      LYS  83  41.558   1.329   1.329
  593   1HD   LYS  83           HD2      LYS  83  42.443   2.082   2.082
  594   2HD   LYS  83           HD1      LYS  83  40.934   1.266   1.266
  595   1HE   LYS  83           HE2      LYS  83  41.265   3.515   3.515
  596   2HE   LYS  83           HE1      LYS  83  40.495   3.637   3.637
  597   1HZ   LYS  83           HZ2      LYS  83  39.306   1.506   1.506
  598   2HZ   LYS  83           HZ1      LYS  83  39.377   2.782   2.782
  599   3HZ   LYS  83           HZ3      LYS  83  38.611   3.011   3.011
  600    H    GLY  84           HN       GLY  84  42.630  -3.585  -3.585
  601   1HA   GLY  84           HA2      GLY  84  41.755  -5.274  -5.274
  602   2HA   GLY  84           HA1      GLY  84  41.262  -4.005  -4.005
  603    H    TRP  85           HN       TRP  85  40.544  -5.380  -5.380
  604    HA   TRP  85           HA       TRP  85  38.255  -4.132  -4.132
  605   1HB   TRP  85           HB2      TRP  85  39.406  -6.690  -6.690
  606   2HB   TRP  85           HB1      TRP  85  37.697  -6.950  -6.950
  607    HD1  TRP  85           HD1      TRP  85  40.056  -5.770  -5.770
  608    HE1  TRP  85           HE1      TRP  85  38.715  -4.933  -4.933
  609    HE3  TRP  85           HE3      TRP  85  35.410  -5.632  -5.632
  610    HZ2  TRP  85           HZ2      TRP  85  36.013  -4.314  -4.314
  611    HZ3  TRP  85           HZ3      TRP  85  33.472  -4.874  -4.874
  612    HH2  TRP  85           HH2      TRP  85  33.747  -4.221  -4.221
  613    H    ALA  86           HN       ALA  86  37.203  -3.312  -3.312
  614    HA   ALA  86           HA       ALA  86  35.623  -3.348  -3.348
  615   1HB   ALA  86           HB3      ALA  86  34.646  -5.274  -5.274
  616   2HB   ALA  86           HB2      ALA  86  33.784  -5.187  -5.187
  617   3HB   ALA  86           HB1      ALA  86  33.940  -3.747  -3.747
  618    H    GLY  87           HN       GLY  87  38.006  -5.276  -5.276
  619   1HA   GLY  87           HA2      GLY  87  37.341  -7.717  -7.717
  620   2HA   GLY  87           HA1      GLY  87  38.797  -6.805  -6.805
  621    HHA  HEC  88           HA       HEM  88  36.131 -10.871 -10.871
  622    HHB  HEC  88           HB       HEM  88  33.894  -6.152  -6.152
  623    HHC  HEC  88           HC       HEM  88  28.287  -9.144  -9.144
  624    HHD  HEC  88           HD       HEM  88  30.822 -14.159 -14.159
  625   1HMA  HEC  88          HMA1      HEM  88  36.542  -5.626  -5.626
  626   2HMA  HEC  88          HMA2      HEM  88  37.453  -6.638  -6.638
  627   3HMA  HEC  88          HMA3      HEM  88  35.898  -5.856  -5.856
  628   1HAA  HEC  88          HAA1      HEM  88  37.794  -9.699  -9.699
  629   2HAA  HEC  88          HAA2      HEM  88  38.225  -8.115  -8.115
  630   1HBA  HEC  88          HBA1      HEM  88  36.592  -8.274  -8.274
  631   2HBA  HEC  88          HBA2      HEM  88  37.540  -6.880  -6.880
  632   1HMB  HEC  88          HMB1      HEM  88  31.479  -5.369  -5.369
  633   2HMB  HEC  88          HMB2      HEM  88  31.056  -4.445  -4.445
  634   3HMB  HEC  88          HMB3      HEM  88  32.741  -5.052  -5.052
  635    HAB  HEC  88           HAB      HEM  88  28.011  -7.260  -7.260
  636   1HBB  HEC  88          HBB1      HEM  88  28.751  -4.372  -4.372
  637   2HBB  HEC  88          HBB2      HEM  88  27.553  -5.275  -5.275
  638   3HBB  HEC  88          HBB3      HEM  88  29.300  -5.284  -5.284
  639   1HMC  HEC  88          HMC1      HEM  88  26.289 -11.842 -11.842
  640   2HMC  HEC  88          HMC2      HEM  88  26.931 -12.124 -12.124
  641   3HMC  HEC  88          HMC3      HEM  88  26.825 -10.443 -10.443
  642    HAC  HEC  88           HAC      HEM  88  29.392 -14.758 -14.758
  643   1HBC  HEC  88          HBC1      HEM  88  27.635 -14.239 -14.239
  644   2HBC  HEC  88          HBC2      HEM  88  26.445 -14.005 -14.005
  645   3HBC  HEC  88          HBC3      HEM  88  27.219 -15.615 -15.615
  646   1HMD  HEC  88          HMD1      HEM  88  31.888 -15.170 -15.170
  647   2HMD  HEC  88          HMD2      HEM  88  33.403 -15.141 -15.141
  648   3HMD  HEC  88          HMD3      HEM  88  33.440 -15.771 -15.771
  649   1HAD  HEC  88          HAD1      HEM  88  35.756 -14.412 -14.412
  650   2HAD  HEC  88          HAD2      HEM  88  36.483 -12.781 -12.781
  651   1HBD  HEC  88          HBD1      HEM  88  34.985 -13.871 -13.871
  652   2HBD  HEC  88          HBD2      HEM  88  34.614 -12.163 -12.163

  Start of MODEL    8
    1   1H    ALA   1           HT2      ALA   1  29.847  11.303  11.303
    2   2H    ALA   1           HT1      ALA   1  30.220  10.121  10.121
    3   3H    ALA   1           HT3      ALA   1  31.230  11.470  11.470
    4    HA   ALA   1           HA       ALA   1  32.229  10.678  10.678
    5   1HB   ALA   1           HB2      ALA   1  31.471   8.566   8.566
    6   2HB   ALA   1           HB1      ALA   1  31.871   7.953   7.953
    7   3HB   ALA   1           HB3      ALA   1  33.044   8.922   8.922
    8    H    ASP   2           HN       ASP   2  32.075   9.116   9.116
    9    HA   ASP   2           HA       ASP   2  29.255   9.145   9.145
   10   1HB   ASP   2           HB2      ASP   2  31.804   9.129   9.129
   11   2HB   ASP   2           HB1      ASP   2  30.153   9.325   9.325
   12    H    LEU   3           HN       LEU   3  32.138   7.193   7.193
   13    HA   LEU   3           HA       LEU   3  31.232   4.959   4.959
   14   1HB   LEU   3           HB2      LEU   3  33.225   5.143   5.143
   15   2HB   LEU   3           HB1      LEU   3  32.902   3.647   3.647
   16    HG   LEU   3           HG       LEU   3  34.904   5.130   5.130
   17   1HD1  LEU   3          HD11      LEU   3  32.995   3.486   3.486
   18   2HD1  LEU   3          HD13      LEU   3  33.645   4.719   4.719
   19   3HD1  LEU   3          HD12      LEU   3  34.738   3.619   3.619
   20   1HD2  LEU   3          HD21      LEU   3  32.587   6.594   6.594
   21   2HD2  LEU   3          HD23      LEU   3  33.683   7.263   7.263
   22   3HD2  LEU   3          HD22      LEU   3  34.291   6.828   6.828
   23    H    ALA   4           HN       ALA   4  30.086   6.280   6.280
   24    HA   ALA   4           HA       ALA   4  29.365   3.984   3.984
   25   1HB   ALA   4           HB3      ALA   4  28.189   6.744   6.744
   26   2HB   ALA   4           HB2      ALA   4  27.343   5.522   5.522
   27   3HB   ALA   4           HB1      ALA   4  28.969   6.028   6.028
   28    H    ASN   5           HN       ASN   5  28.341   5.321   5.321
   29    HA   ASN   5           HA       ASN   5  25.790   3.943   3.943
   30   1HB   ASN   5           HB2      ASN   5  27.193   6.022   6.022
   31   2HB   ASN   5           HB1      ASN   5  26.973   4.753   4.753
   32   1HD2  ASN   5          HD22      ASN   5  23.873   6.746   6.746
   33   2HD2  ASN   5          HD21      ASN   5  25.514   6.918   6.918
   34    H    GLY   6           HN       GLY   6  29.132   3.457   3.457
   35   1HA   GLY   6           HA2      GLY   6  28.683   1.212   1.212
   36   2HA   GLY   6           HA1      GLY   6  30.207   1.583   1.583
   37    H    ALA   7           HN       ALA   7  29.690   1.337   1.337
   38    HA   ALA   7           HA       ALA   7  29.714  -1.388  -1.388
   39   1HB   ALA   7           HB1      ALA   7  29.471   1.032   1.032
   40   2HB   ALA   7           HB3      ALA   7  28.488  -0.260  -0.260
   41   3HB   ALA   7           HB2      ALA   7  30.217  -0.508  -0.508
   42    H    LYS   8           HN       LYS   8  26.972   0.629   0.629
   43    HA   LYS   8           HA       LYS   8  25.030  -1.272  -1.272
   44   1HB   LYS   8           HB2      LYS   8  24.070   0.847   0.847
   45   2HB   LYS   8           HB1      LYS   8  24.925   1.199   1.199
   46   1HG   LYS   8           HG2      LYS   8  23.104  -1.085  -1.085
   47   2HG   LYS   8           HG1      LYS   8  22.264   0.385   0.385
   48   1HD   LYS   8           HD2      LYS   8  24.009  -0.022  -0.022
   49   2HD   LYS   8           HD1      LYS   8  22.296   0.391   0.391
   50   1HE   LYS   8           HE2      LYS   8  23.577   2.354   2.354
   51   2HE   LYS   8           HE1      LYS   8  24.596   2.138   2.138
   52   1HZ   LYS   8           HZ3      LYS   8  22.230   2.158   2.158
   53   2HZ   LYS   8           HZ2      LYS   8  21.849   3.107   3.107
   54   3HZ   LYS   8           HZ1      LYS   8  23.093   3.585   3.585
   55    H    VAL   9           HN       VAL   9  26.376  -0.385  -0.385
   56    HA   VAL   9           HA       VAL   9  25.101  -2.288  -2.288
   57    HB   VAL   9           HB       VAL   9  28.011  -1.455  -1.455
   58   1HG1  VAL   9          HG12      VAL   9  26.767  -3.203  -3.203
   59   2HG1  VAL   9          HG11      VAL   9  26.106  -1.744  -1.744
   60   3HG1  VAL   9          HG13      VAL   9  27.849  -1.998  -1.998
   61   1HG2  VAL   9          HG22      VAL   9  25.486   0.056   0.056
   62   2HG2  VAL   9          HG21      VAL   9  26.887   0.593   0.593
   63   3HG2  VAL   9          HG23      VAL   9  26.997   0.429   0.429
   64    H    PHE  10           HN       PHE  10  28.389  -2.530  -2.530
   65    HA   PHE  10           HA       PHE  10  28.711  -5.281  -5.281
   66   1HB   PHE  10           HB2      PHE  10  30.545  -3.636  -3.636
   67   2HB   PHE  10           HB1      PHE  10  30.077  -3.627  -3.627
   68    HD1  PHE  10           HD1      PHE  10  29.833  -5.894  -5.894
   69    HD2  PHE  10           HD2      PHE  10  32.084  -5.281  -5.281
   70    HE1  PHE  10           HE1      PHE  10  31.018  -7.980  -7.980
   71    HE2  PHE  10           HE2      PHE  10  33.298  -7.408  -7.408
   72    HZ   PHE  10           HZ       PHE  10  32.770  -8.769  -8.769
   73    H    SER  11           HN       SER  11  27.236  -3.661  -3.661
   74    HA   SER  11           HA       SER  11  27.161  -6.179  -6.179
   75   1HB   SER  11           HB2      SER  11  27.508  -4.008  -4.008
   76   2HB   SER  11           HB1      SER  11  25.903  -3.498  -3.498
   77    HG   SER  11           HG       SER  11  26.593  -5.642  -5.642
   78    H    GLY  12           HN       GLY  12  25.638  -5.546  -5.546
   79   1HA   GLY  12           HA2      GLY  12  23.197  -6.883  -6.883
   80   2HA   GLY  12           HA1      GLY  12  22.950  -5.273  -5.273
   81    H    ASN  13           HN       ASN  13  25.624  -6.634  -6.634
   82    HA   ASN  13           HA       ASN  13  24.089  -8.190  -8.190
   83   1HB   ASN  13           HB2      ASN  13  25.617  -5.878  -5.878
   84   2HB   ASN  13           HB1      ASN  13  24.220  -6.730  -6.730
   85   1HD2  ASN  13          HD22      ASN  13  23.648  -3.409  -3.409
   86   2HD2  ASN  13          HD21      ASN  13  25.190  -3.926  -3.926
   87    H    CYS  14           HN       CYS  14  27.170  -6.524  -6.524
   88    HA   CYS  14           HA       CYS  14  28.713  -8.455  -8.455
   89   1HB   CYS  14           HB2      CYS  14  29.899  -6.605  -6.605
   90   2HB   CYS  14           HB1      CYS  14  30.574  -7.115  -7.115
   91    H    ALA  15           HN       ALA  15  27.817  -7.998  -7.998
   92    HA   ALA  15           HA       ALA  15  29.693  -9.579  -9.579
   93   1HB   ALA  15           HB2      ALA  15  26.989  -8.610  -8.610
   94   2HB   ALA  15           HB1      ALA  15  27.302 -10.162 -10.162
   95   3HB   ALA  15           HB3      ALA  15  28.345  -8.780  -8.780
   96    H    ALA  16           HN       ALA  16  26.745 -10.642 -10.642
   97    HA   ALA  16           HA       ALA  16  26.845 -13.369 -13.369
   98   1HB   ALA  16           HB2      ALA  16  25.754 -12.136 -12.136
   99   2HB   ALA  16           HB1      ALA  16  25.428 -13.783 -13.783
  100   3HB   ALA  16           HB3      ALA  16  24.864 -12.415 -12.415
  101    H    CYS  17           HN       CYS  17  28.481 -11.707 -11.707
  102    HA   CYS  17           HA       CYS  17  29.763 -14.319 -14.319
  103   1HB   CYS  17           HB2      CYS  17  29.021 -11.906 -11.906
  104   2HB   CYS  17           HB1      CYS  17  30.466 -12.765 -12.765
  105    H    HIS  18           HN       HIS  18  30.459 -12.190 -12.190
  106    HA   HIS  18           HA       HIS  18  33.339 -12.266 -12.266
  107   1HB   HIS  18           HB2      HIS  18  31.773  -9.675  -9.675
  108   2HB   HIS  18           HB1      HIS  18  33.511  -9.776  -9.776
  109    HD1  HIS  18           HD1      HIS  18  34.999 -10.429 -10.429
  110    HD2  HIS  18           HD2      HIS  18  30.992  -9.980  -9.980
  111    HE1  HIS  18           HE1      HIS  18  34.905 -10.382 -10.382
  112    H    MET  19           HN       MET  19  30.850 -10.800 -10.800
  113    HA   MET  19           HA       MET  19  30.784 -10.469 -10.469
  114   1HB   MET  19           HB2      MET  19  31.110 -12.627 -12.627
  115   2HB   MET  19           HB1      MET  19  30.015 -12.744 -12.744
  116   1HG   MET  19           HG2      MET  19  31.804 -13.688 -13.688
  117   2HG   MET  19           HG1      MET  19  32.956 -13.499 -13.499
  118   1HE   MET  19           HE3      MET  19  32.516 -14.443 -14.443
  119   2HE   MET  19           HE2      MET  19  30.779 -14.160 -14.160
  120   3HE   MET  19           HE1      MET  19  31.415 -15.768 -15.768
  121    H    GLY  20           HN       GLY  20  32.195  -9.124  -9.124
  122   1HA   GLY  20           HA2      GLY  20  34.213  -8.319  -8.319
  123   2HA   GLY  20           HA1      GLY  20  34.417  -9.982  -9.982
  124    H    GLY  21           HN       GLY  21  34.536  -8.315  -8.315
  125   1HA   GLY  21           HA2      GLY  21  35.977  -8.691  -8.691
  126   2HA   GLY  21           HA1      GLY  21  37.218  -8.446  -8.446
  127    H    GLY  22           HN       GLY  22  35.074 -10.986 -10.986
  128   1HA   GLY  22           HA2      GLY  22  37.330 -12.881 -12.881
  129   2HA   GLY  22           HA1      GLY  22  35.966 -13.297 -13.297
  130    H    ASN  23           HN       ASN  23  37.054 -12.999 -12.999
  131    HA   ASN  23           HA       ASN  23  34.760 -13.208 -13.208
  132   1HB   ASN  23           HB2      ASN  23  37.393 -13.539 -13.539
  133   2HB   ASN  23           HB1      ASN  23  36.842 -15.212 -15.212
  134   1HD2  ASN  23          HD22      ASN  23  35.305 -12.412 -12.412
  135   2HD2  ASN  23          HD21      ASN  23  35.879 -11.904 -11.904
  136    H    VAL  24           HN       VAL  24  33.530 -15.065 -15.065
  137    HA   VAL  24           HA       VAL  24  33.458 -17.319 -17.319
  138    HB   VAL  24           HB       VAL  24  31.418 -16.029 -16.029
  139   1HG1  VAL  24          HG13      VAL  24  31.492 -16.253 -16.253
  140   2HG1  VAL  24          HG12      VAL  24  30.024 -15.814 -15.814
  141   3HG1  VAL  24          HG11      VAL  24  31.454 -14.785 -14.785
  142   1HG2  VAL  24          HG21      VAL  24  31.045 -18.510 -18.510
  143   2HG2  VAL  24          HG23      VAL  24  31.131 -18.459 -18.459
  144   3HG2  VAL  24          HG22      VAL  24  29.767 -17.718 -17.718
  145    H    VAL  25           HN       VAL  25  33.274 -16.409 -16.409
  146    HA   VAL  25           HA       VAL  25  33.158 -19.257 -19.257
  147    HB   VAL  25           HB       VAL  25  33.388 -16.840 -16.840
  148   1HG1  VAL  25          HG11      VAL  25  32.517 -19.716 -19.716
  149   2HG1  VAL  25          HG13      VAL  25  32.149 -18.471 -18.471
  150   3HG1  VAL  25          HG12      VAL  25  33.827 -18.879 -18.879
  151   1HG2  VAL  25          HG21      VAL  25  31.117 -17.884 -17.884
  152   2HG2  VAL  25          HG23      VAL  25  31.376 -16.272 -16.272
  153   3HG2  VAL  25          HG22      VAL  25  30.766 -17.566 -17.566
  154    H    MET  26           HN       MET  26  35.203 -16.534 -16.534
  155    HA   MET  26           HA       MET  26  37.324 -18.218 -18.218
  156   1HB   MET  26           HB2      MET  26  37.011 -15.310 -15.310
  157   2HB   MET  26           HB1      MET  26  38.659 -15.940 -15.940
  158   1HG   MET  26           HG2      MET  26  36.722 -16.727 -16.727
  159   2HG   MET  26           HG1      MET  26  37.408 -15.102 -15.102
  160   1HE   MET  26           HE2      MET  26  38.282 -15.458 -15.458
  161   2HE   MET  26           HE1      MET  26  39.628 -14.672 -14.672
  162   3HE   MET  26           HE3      MET  26  39.928 -16.021 -16.021
  163    H    ALA  27           HN       ALA  27  39.515 -18.376 -18.376
  164    HA   ALA  27           HA       ALA  27  39.311 -18.456 -18.456
  165   1HB   ALA  27           HB2      ALA  27  40.773 -20.272 -20.272
  166   2HB   ALA  27           HB1      ALA  27  41.091 -20.270 -20.270
  167   3HB   ALA  27           HB3      ALA  27  39.493 -20.710 -20.710
  168    H    ASN  28           HN       ASN  28  40.044 -16.080 -16.080
  169    HA   ASN  28           HA       ASN  28  42.562 -15.565 -15.565
  170   1HB   ASN  28           HB2      ASN  28  43.738 -15.000 -15.000
  171   2HB   ASN  28           HB1      ASN  28  43.781 -16.655 -16.655
  172   1HD2  ASN  28          HD22      ASN  28  41.369 -15.778 -15.778
  173   2HD2  ASN  28          HD21      ASN  28  41.883 -14.519 -14.519
  174    H    LYS  29           HN       LYS  29  40.357 -14.654 -14.654
  175    HA   LYS  29           HA       LYS  29  41.012 -11.834 -11.834
  176   1HB   LYS  29           HB2      LYS  29  39.180 -13.561 -13.561
  177   2HB   LYS  29           HB1      LYS  29  38.407 -12.048 -12.048
  178   1HG   LYS  29           HG2      LYS  29  39.511 -10.978 -10.978
  179   2HG   LYS  29           HG1      LYS  29  41.044 -11.425 -11.425
  180   1HD   LYS  29           HD2      LYS  29  40.917 -13.633 -13.633
  181   2HD   LYS  29           HD1      LYS  29  39.458 -13.076 -13.076
  182   1HE   LYS  29           HE2      LYS  29  40.636 -11.381 -11.381
  183   2HE   LYS  29           HE1      LYS  29  42.043 -11.516 -11.516
  184   1HZ   LYS  29           HZ2      LYS  29  42.265 -13.846 -13.846
  185   2HZ   LYS  29           HZ1      LYS  29  41.098 -13.467 -13.467
  186   3HZ   LYS  29           HZ3      LYS  29  42.574 -12.631 -12.631
  187    H    THR  30           HN       THR  30  40.886 -11.464 -11.464
  188    HA   THR  30           HA       THR  30  38.143 -11.564 -11.564
  189    HB   THR  30           HB       THR  30  40.626 -10.705 -10.705
  190    HG1  THR  30           HG1      THR  30  39.845 -13.396 -13.396
  191   1HG2  THR  30          HG22      THR  30  37.893 -11.585 -11.585
  192   2HG2  THR  30          HG21      THR  30  39.135 -12.382 -12.382
  193   3HG2  THR  30          HG23      THR  30  39.016 -10.624 -10.624
  194    H    LEU  31           HN       LEU  31  38.249  -9.419  -9.419
  195    HA   LEU  31           HA       LEU  31  38.486  -7.112  -7.112
  196   1HB   LEU  31           HB2      LEU  31  36.898  -7.114  -7.114
  197   2HB   LEU  31           HB1      LEU  31  36.797  -5.979  -5.979
  198    HG   LEU  31           HG       LEU  31  35.488  -8.610  -8.610
  199   1HD1  LEU  31          HD12      LEU  31  34.608  -6.141  -6.141
  200   2HD1  LEU  31          HD11      LEU  31  34.861  -6.550  -6.550
  201   3HD1  LEU  31          HD13      LEU  31  33.760  -7.513  -7.513
  202   1HD2  LEU  31          HD23      LEU  31  37.175  -8.028  -8.028
  203   2HD2  LEU  31          HD22      LEU  31  36.630  -9.576  -9.576
  204   3HD2  LEU  31          HD21      LEU  31  35.536  -8.581  -8.581
  205    H    LYS  32           HN       LYS  32  40.064  -8.544  -8.544
  206    HA   LYS  32           HA       LYS  32  40.683  -6.321  -6.321
  207   1HB   LYS  32           HB2      LYS  32  42.929  -7.658  -7.658
  208   2HB   LYS  32           HB1      LYS  32  41.416  -8.339  -8.339
  209   1HG   LYS  32           HG2      LYS  32  41.779  -9.075  -9.075
  210   2HG   LYS  32           HG1      LYS  32  43.225  -9.495  -9.495
  211   1HD   LYS  32           HD2      LYS  32  40.460 -10.175 -10.175
  212   2HD   LYS  32           HD1      LYS  32  41.349 -11.254 -11.254
  213   1HE   LYS  32           HE2      LYS  32  43.065 -10.342 -10.342
  214   2HE   LYS  32           HE1      LYS  32  41.601 -11.073 -11.073
  215   1HZ   LYS  32           HZ3      LYS  32  42.407 -12.665 -12.665
  216   2HZ   LYS  32           HZ2      LYS  32  43.812 -12.332 -12.332
  217   3HZ   LYS  32           HZ1      LYS  32  42.465 -13.041 -13.041
  218    H    LYS  33           HN       LYS  33  43.244  -7.689  -7.689
  219    HA   LYS  33           HA       LYS  33  43.532  -5.609  -5.609
  220   1HB   LYS  33           HB2      LYS  33  45.389  -4.273  -4.273
  221   2HB   LYS  33           HB1      LYS  33  43.747  -3.963  -3.963
  222   1HG   LYS  33           HG2      LYS  33  44.090  -5.470  -5.470
  223   2HG   LYS  33           HG1      LYS  33  45.714  -5.854  -5.854
  224   1HD   LYS  33           HD2      LYS  33  44.977  -2.979  -2.979
  225   2HD   LYS  33           HD1      LYS  33  45.357  -3.977  -3.977
  226   1HE   LYS  33           HE2      LYS  33  47.199  -4.096  -4.096
  227   2HE   LYS  33           HE1      LYS  33  47.270  -2.671  -2.671
  228   1HZ   LYS  33           HZ1      LYS  33  47.347  -4.378  -4.378
  229   2HZ   LYS  33           HZ3      LYS  33  47.790  -5.490  -5.490
  230   3HZ   LYS  33           HZ2      LYS  33  48.756  -4.122  -4.122
  231    H    GLU  34           HN       GLU  34  45.410  -7.586  -7.586
  232    HA   GLU  34           HA       GLU  34  47.866  -7.718  -7.718
  233   1HB   GLU  34           HB2      GLU  34  46.391  -9.378  -9.378
  234   2HB   GLU  34           HB1      GLU  34  47.256 -10.395 -10.395
  235   1HG   GLU  34           HG2      GLU  34  49.058  -8.341  -8.341
  236   2HG   GLU  34           HG1      GLU  34  48.309  -8.840  -8.840
  237    H    ALA  35           HN       ALA  35  44.881  -9.288  -9.288
  238    HA   ALA  35           HA       ALA  35  46.282 -10.449 -10.449
  239   1HB   ALA  35           HB1      ALA  35  44.753 -11.807 -11.807
  240   2HB   ALA  35           HB3      ALA  35  43.445 -11.085 -11.085
  241   3HB   ALA  35           HB2      ALA  35  44.645 -12.101 -12.101
  242    H    LEU  36           HN       LEU  36  43.039  -9.225  -9.225
  243    HA   LEU  36           HA       LEU  36  42.209  -8.577  -8.577
  244   1HB   LEU  36           HB2      LEU  36  41.042  -6.563  -6.563
  245   2HB   LEU  36           HB1      LEU  36  40.630  -8.209  -8.209
  246    HG   LEU  36           HG       LEU  36  42.967  -7.058  -7.058
  247   1HD1  LEU  36          HD12      LEU  36  40.350  -5.689  -5.689
  248   2HD1  LEU  36          HD11      LEU  36  41.036  -5.975  -5.975
  249   3HD1  LEU  36          HD13      LEU  36  41.949  -5.058  -5.058
  250   1HD2  LEU  36          HD22      LEU  36  41.332  -9.210  -9.210
  251   2HD2  LEU  36          HD21      LEU  36  42.320  -8.520  -8.520
  252   3HD2  LEU  36          HD23      LEU  36  40.626  -8.074  -8.074
  253    H    GLU  37           HN       GLU  37  44.159  -6.371  -6.371
  254    HA   GLU  37           HA       GLU  37  44.122  -4.246  -4.246
  255   1HB   GLU  37           HB2      GLU  37  44.905  -3.842  -3.842
  256   2HB   GLU  37           HB1      GLU  37  46.212  -5.012  -5.012
  257   1HG   GLU  37           HG2      GLU  37  47.409  -3.620  -3.620
  258   2HG   GLU  37           HG1      GLU  37  45.982  -2.669  -2.669
  259    H    GLN  38           HN       GLN  38  46.211  -7.073  -7.073
  260    HA   GLN  38           HA       GLN  38  48.113  -6.158  -6.158
  261   1HB   GLN  38           HB2      GLN  38  47.490  -9.006  -9.006
  262   2HB   GLN  38           HB1      GLN  38  48.990  -8.411  -8.411
  263   1HG   GLN  38           HG2      GLN  38  47.830  -7.543  -7.543
  264   2HG   GLN  38           HG1      GLN  38  49.157  -8.691  -8.691
  265   1HE2  GLN  38          HE22      GLN  38  49.806  -4.712  -4.712
  266   2HE2  GLN  38          HE21      GLN  38  48.221  -5.331  -5.331
  267    H    PHE  39           HN       PHE  39  46.166  -9.076  -9.076
  268    HA   PHE  39           HA       PHE  39  45.983  -8.588  -8.588
  269   1HB   PHE  39           HB2      PHE  39  45.362 -10.912 -10.912
  270   2HB   PHE  39           HB1      PHE  39  46.725 -10.723 -10.723
  271    HD1  PHE  39           HD1      PHE  39  44.411  -9.398  -9.398
  272    HD2  PHE  39           HD2      PHE  39  45.233 -13.175 -13.175
  273    HE1  PHE  39           HE1      PHE  39  43.227 -10.562 -10.562
  274    HE2  PHE  39           HE2      PHE  39  44.024 -14.337 -14.337
  275    HZ   PHE  39           HZ       PHE  39  43.019 -13.033 -13.033
  276    H    GLY  40           HN       GLY  40  44.191  -7.571  -7.571
  277   1HA   GLY  40           HA2      GLY  40  41.632  -7.936  -7.936
  278   2HA   GLY  40           HA1      GLY  40  41.674  -7.934  -7.934
  279    H    MET  41           HN       MET  41  43.941  -5.725  -5.725
  280    HA   MET  41           HA       MET  41  43.890  -3.393  -3.393
  281   1HB   MET  41           HB2      MET  41  42.083  -3.944  -3.944
  282   2HB   MET  41           HB1      MET  41  42.320  -2.290  -2.290
  283   1HG   MET  41           HG2      MET  41  44.884  -3.093  -3.093
  284   2HG   MET  41           HG1      MET  41  44.257  -4.127  -4.127
  285   1HE   MET  41           HE1      MET  41  45.842  -3.087  -3.087
  286   2HE   MET  41           HE3      MET  41  44.259  -3.421  -3.421
  287   3HE   MET  41           HE2      MET  41  45.117  -1.936  -1.936
  288    H    TYR  42           HN       TYR  42  42.521  -4.563  -4.563
  289    HA   TYR  42           HA       TYR  42  39.887  -4.081  -4.081
  290   1HB   TYR  42           HB2      TYR  42  40.426  -4.080  -4.080
  291   2HB   TYR  42           HB1      TYR  42  41.822  -4.874  -4.874
  292    HD1  TYR  42           HD1      TYR  42  43.324  -2.591  -2.591
  293    HD2  TYR  42           HD2      TYR  42  41.210  -2.962  -2.962
  294    HE1  TYR  42           HE1      TYR  42  44.797  -0.870  -0.870
  295    HE2  TYR  42           HE2      TYR  42  42.678  -1.249  -1.249
  296    HH   TYR  42           HH       TYR  42  45.216  -0.424  -0.424
  297    H    SER  43           HN       SER  43  42.235  -1.579  -1.579
  298    HA   SER  43           HA       SER  43  41.259   0.682   0.682
  299   1HB   SER  43           HB2      SER  43  42.823   0.123   0.123
  300   2HB   SER  43           HB1      SER  43  41.578   1.255   1.255
  301    HG   SER  43           HG       SER  43  42.193   2.356   2.356
  302    H    GLU  44           HN       GLU  44  39.815   2.411   2.411
  303    HA   GLU  44           HA       GLU  44  37.155   1.577   1.577
  304   1HB   GLU  44           HB2      GLU  44  38.612   4.050   4.050
  305   2HB   GLU  44           HB1      GLU  44  37.306   3.951   3.951
  306   1HG   GLU  44           HG2      GLU  44  35.673   4.009   4.009
  307   2HG   GLU  44           HG1      GLU  44  36.635   3.091   3.091
  308    H    ASP  45           HN       ASP  45  38.762   3.065   3.065
  309    HA   ASP  45           HA       ASP  45  37.079   2.395   2.395
  310   1HB   ASP  45           HB2      ASP  45  39.162   3.564   3.564
  311   2HB   ASP  45           HB1      ASP  45  40.046   2.070   2.070
  312    H    ALA  46           HN       ALA  46  39.562   0.056   0.056
  313    HA   ALA  46           HA       ALA  46  38.731  -2.019  -2.019
  314   1HB   ALA  46           HB2      ALA  46  40.627  -1.668  -1.668
  315   2HB   ALA  46           HB1      ALA  46  39.760  -3.185  -3.185
  316   3HB   ALA  46           HB3      ALA  46  40.600  -2.905  -2.905
  317    H    ILE  47           HN       ILE  47  38.310  -2.232  -2.232
  318    HA   ILE  47           HA       ILE  47  36.321  -4.217  -4.217
  319    HB   ILE  47           HB       ILE  47  37.374  -3.412  -3.412
  320   1HG1  ILE  47          HG12      ILE  47  34.384  -2.932  -2.932
  321   2HG1  ILE  47          HG11      ILE  47  35.088  -4.538  -4.538
  322   1HG2  ILE  47          HG21      ILE  47  36.312  -0.884  -0.884
  323   2HG2  ILE  47          HG23      ILE  47  35.766  -1.248  -1.248
  324   3HG2  ILE  47          HG22      ILE  47  37.494  -1.202  -1.202
  325   1HD1  ILE  47          HD11      ILE  47  36.468  -3.785  -3.785
  326   2HD1  ILE  47          HD13      ILE  47  35.339  -2.436  -2.436
  327   3HD1  ILE  47          HD12      ILE  47  34.750  -4.087  -4.087
  328    H    ILE  48           HN       ILE  48  36.099  -0.906  -0.906
  329    HA   ILE  48           HA       ILE  48  33.256  -0.541  -0.541
  330    HB   ILE  48           HB       ILE  48  35.466   0.932   0.932
  331   1HG1  ILE  48          HG12      ILE  48  33.450   1.758   1.758
  332   2HG1  ILE  48          HG11      ILE  48  35.087   1.210   1.210
  333   1HG2  ILE  48          HG22      ILE  48  32.630   0.983   0.983
  334   2HG2  ILE  48          HG21      ILE  48  33.219   2.561   2.561
  335   3HG2  ILE  48          HG23      ILE  48  33.995   1.736   1.736
  336   1HD1  ILE  48          HD13      ILE  48  34.363   3.613   3.613
  337   2HD1  ILE  48          HD12      ILE  48  34.961   3.682   3.682
  338   3HD1  ILE  48          HD11      ILE  48  35.999   3.072   3.072
  339    H    TYR  49           HN       TYR  49  35.350  -1.572  -1.572
  340    HA   TYR  49           HA       TYR  49  33.147  -1.726  -1.726
  341   1HB   TYR  49           HB2      TYR  49  35.308  -1.368  -1.368
  342   2HB   TYR  49           HB1      TYR  49  36.004  -2.719  -2.719
  343    HD1  TYR  49           HD1      TYR  49  33.234  -1.994  -1.994
  344    HD2  TYR  49           HD2      TYR  49  36.207  -4.785  -4.785
  345    HE1  TYR  49           HE1      TYR  49  32.619  -3.534  -3.534
  346    HE2  TYR  49           HE2      TYR  49  35.585  -6.331  -6.331
  347    HH   TYR  49           HH       TYR  49  33.893  -5.442  -5.442
  348    H    GLN  50           HN       GLN  50  34.594  -3.953  -3.953
  349    HA   GLN  50           HA       GLN  50  33.153  -6.195  -6.195
  350   1HB   GLN  50           HB2      GLN  50  34.018  -7.429  -7.429
  351   2HB   GLN  50           HB1      GLN  50  35.157  -7.010  -7.010
  352   1HG   GLN  50           HG2      GLN  50  34.726  -4.906  -4.906
  353   2HG   GLN  50           HG1      GLN  50  35.495  -6.370  -6.370
  354   1HE2  GLN  50          HE22      GLN  50  38.537  -4.967  -4.967
  355   2HE2  GLN  50          HE21      GLN  50  37.651  -5.396  -5.396
  356    H    VAL  51           HN       VAL  51  32.666  -3.819  -3.819
  357    HA   VAL  51           HA       VAL  51  30.557  -5.277  -5.277
  358    HB   VAL  51           HB       VAL  51  31.592  -2.440  -2.440
  359   1HG1  VAL  51          HG12      VAL  51  29.036  -3.452  -3.452
  360   2HG1  VAL  51          HG11      VAL  51  29.978  -3.035  -3.035
  361   3HG1  VAL  51          HG13      VAL  51  29.686  -1.823  -1.823
  362   1HG2  VAL  51          HG22      VAL  51  32.906  -4.426  -4.426
  363   2HG2  VAL  51          HG21      VAL  51  32.565  -3.080  -3.080
  364   3HG2  VAL  51          HG23      VAL  51  31.599  -4.551  -4.551
  365    H    GLN  52           HN       GLN  52  30.835  -2.557  -2.557
  366    HA   GLN  52           HA       GLN  52  28.065  -1.940  -1.940
  367   1HB   GLN  52           HB2      GLN  52  30.524  -1.168  -1.168
  368   2HB   GLN  52           HB1      GLN  52  29.132  -1.132  -1.132
  369   1HG   GLN  52           HG2      GLN  52  28.545   0.839   0.839
  370   2HG   GLN  52           HG1      GLN  52  28.266  -0.021  -0.021
  371   1HE2  GLN  52          HE22      GLN  52  31.523   0.865   0.865
  372   2HE2  GLN  52          HE21      GLN  52  30.394  -0.414  -0.414
  373    H    HIS  53           HN       HIS  53  29.780  -4.628  -4.628
  374    HA   HIS  53           HA       HIS  53  27.385  -5.408  -5.408
  375   1HB   HIS  53           HB2      HIS  53  29.740  -5.729  -5.729
  376   2HB   HIS  53           HB1      HIS  53  28.128  -5.230  -5.230
  377    HD1  HIS  53           HD1      HIS  53  28.271  -2.983  -2.983
  378    HD2  HIS  53           HD2      HIS  53  30.869  -3.281  -3.281
  379    HE1  HIS  53           HE1      HIS  53  29.410  -0.732  -0.732
  380    H    GLY  54           HN       GLY  54  29.286  -6.269  -6.269
  381   1HA   GLY  54           HA2      GLY  54  30.250  -8.307  -8.307
  382   2HA   GLY  54           HA1      GLY  54  29.166  -9.047  -9.047
  383    H    LYS  55           HN       LYS  55  30.565 -10.385 -10.385
  384    HA   LYS  55           HA       LYS  55  32.031  -9.969  -9.969
  385   1HB   LYS  55           HB2      LYS  55  33.470  -8.822  -8.822
  386   2HB   LYS  55           HB1      LYS  55  34.415 -10.052 -10.052
  387   1HG   LYS  55           HG2      LYS  55  34.451  -7.503  -7.503
  388   2HG   LYS  55           HG1      LYS  55  34.584  -8.842  -8.842
  389   1HD   LYS  55           HD2      LYS  55  31.796  -8.122  -8.122
  390   2HD   LYS  55           HD1      LYS  55  32.721  -6.778  -6.778
  391   1HE   LYS  55           HE2      LYS  55  33.229  -7.925  -7.925
  392   2HE   LYS  55           HE1      LYS  55  32.944  -9.505  -9.505
  393   1HZ   LYS  55           HZ1      LYS  55  30.554  -8.737  -8.737
  394   2HZ   LYS  55           HZ3      LYS  55  30.954  -7.489  -7.489
  395   3HZ   LYS  55           HZ2      LYS  55  31.091  -9.109  -9.109
  396    H    ASN  56           HN       ASN  56  32.929 -11.926 -11.926
  397    HA   ASN  56           HA       ASN  56  33.254 -14.249 -14.249
  398   1HB   ASN  56           HB2      ASN  56  34.322 -13.396 -13.396
  399   2HB   ASN  56           HB1      ASN  56  34.386 -15.074 -15.074
  400   1HD2  ASN  56          HD22      ASN  56  36.939 -12.321 -12.321
  401   2HD2  ASN  56          HD21      ASN  56  35.716 -11.841 -11.841
  402    H    ALA  57           HN       ALA  57  32.681 -14.148 -14.148
  403    HA   ALA  57           HA       ALA  57  29.911 -15.180 -15.180
  404   1HB   ALA  57           HB1      ALA  57  31.683 -16.974 -16.974
  405   2HB   ALA  57           HB3      ALA  57  31.739 -16.225 -16.225
  406   3HB   ALA  57           HB2      ALA  57  30.233 -16.927 -16.927
  407    H    MET  58           HN       MET  58  30.367 -12.539 -12.539
  408    HA   MET  58           HA       MET  58  29.744 -12.258 -12.258
  409   1HB   MET  58           HB2      MET  58  31.948 -11.303 -11.303
  410   2HB   MET  58           HB1      MET  58  31.032 -10.183 -10.183
  411   1HG   MET  58           HG2      MET  58  29.946  -9.240  -9.240
  412   2HG   MET  58           HG1      MET  58  30.712 -10.440 -10.440
  413   1HE   MET  58           HE2      MET  58  30.557  -7.139  -7.139
  414   2HE   MET  58           HE1      MET  58  31.074  -7.641  -7.641
  415   3HE   MET  58           HE3      MET  58  32.078  -6.532  -6.532
  416    HA   PRO  59           HA       PRO  59  25.912 -10.594 -10.594
  417   1HB   PRO  59           HB2      PRO  59  25.090  -9.565  -9.565
  418   2HB   PRO  59           HB1      PRO  59  25.069 -11.288 -11.288
  419   1HG   PRO  59           HG2      PRO  59  26.901  -9.784  -9.784
  420   2HG   PRO  59           HG1      PRO  59  26.492 -11.502 -11.502
  421   1HD   PRO  59           HD2      PRO  59  28.859 -10.309 -10.309
  422   2HD   PRO  59           HD1      PRO  59  28.372 -12.007 -12.007
  423    H    ALA  60           HN       ALA  60  26.163  -8.790  -8.790
  424    HA   ALA  60           HA       ALA  60  27.334  -6.344  -6.344
  425   1HB   ALA  60           HB1      ALA  60  24.582  -6.907  -6.907
  426   2HB   ALA  60           HB3      ALA  60  25.485  -5.415  -5.415
  427   3HB   ALA  60           HB2      ALA  60  26.107  -6.944  -6.944
  428    H    PHE  61           HN       PHE  61  26.616  -4.286  -4.286
  429    HA   PHE  61           HA       PHE  61  24.372  -4.283  -4.283
  430   1HB   PHE  61           HB2      PHE  61  27.214  -3.436  -3.436
  431   2HB   PHE  61           HB1      PHE  61  25.853  -2.849  -2.849
  432    HD1  PHE  61           HD1      PHE  61  24.070  -4.996  -4.996
  433    HD2  PHE  61           HD2      PHE  61  28.351  -5.144  -5.144
  434    HE1  PHE  61           HE1      PHE  61  24.017  -7.109  -7.109
  435    HE2  PHE  61           HE2      PHE  61  28.310  -7.254  -7.254
  436    HZ   PHE  61           HZ       PHE  61  26.139  -8.238  -8.238
  437    H    ALA  62           HN       ALA  62  25.672  -3.026  -3.026
  438    HA   ALA  62           HA       ALA  62  25.781  -0.282  -0.282
  439   1HB   ALA  62           HB1      ALA  62  24.423  -1.997  -1.997
  440   2HB   ALA  62           HB3      ALA  62  24.748  -0.276  -0.276
  441   3HB   ALA  62           HB2      ALA  62  26.086  -1.409  -1.409
  442    H    GLY  63           HN       GLY  63  22.933  -2.324  -2.324
  443   1HA   GLY  63           HA2      GLY  63  21.490  -0.029  -0.029
  444   2HA   GLY  63           HA1      GLY  63  20.808  -0.627  -0.627
  445    H    ARG  64           HN       ARG  64  22.357  -2.529  -2.529
  446    HA   ARG  64           HA       ARG  64  19.813  -4.045  -4.045
  447   1HB   ARG  64           HB2      ARG  64  22.338  -4.956  -4.956
  448   2HB   ARG  64           HB1      ARG  64  22.324  -4.919  -4.919
  449   1HG   ARG  64           HG2      ARG  64  20.137  -6.196  -6.196
  450   2HG   ARG  64           HG1      ARG  64  20.452  -6.430  -6.430
  451   1HD   ARG  64           HD2      ARG  64  22.725  -7.328  -7.328
  452   2HD   ARG  64           HD1      ARG  64  22.173  -7.311  -7.311
  453    HE   ARG  64           HE       ARG  64  20.927  -8.990  -8.990
  454   1HH1  ARG  64          HH21      ARG  64  18.954  -9.163  -9.163
  455   2HH1  ARG  64          HH22      ARG  64  19.507 -10.227 -10.227
  456   1HH2  ARG  64          HH11      ARG  64  22.847  -9.972  -9.972
  457   2HH2  ARG  64          HH12      ARG  64  21.711 -10.684 -10.684
  458    H    LEU  65           HN       LEU  65  22.572  -2.607  -2.607
  459    HA   LEU  65           HA       LEU  65  21.064  -2.378  -2.378
  460   1HB   LEU  65           HB2      LEU  65  23.832  -1.313  -1.313
  461   2HB   LEU  65           HB1      LEU  65  23.113  -2.118  -2.118
  462    HG   LEU  65           HG       LEU  65  23.923  -3.442  -3.442
  463   1HD1  LEU  65          HD11      LEU  65  25.618  -2.712  -2.712
  464   2HD1  LEU  65          HD13      LEU  65  25.012  -4.184  -4.184
  465   3HD1  LEU  65          HD12      LEU  65  25.784  -4.261  -4.261
  466   1HD2  LEU  65          HD22      LEU  65  22.071  -4.219  -4.219
  467   2HD2  LEU  65          HD21      LEU  65  22.411  -5.017  -5.017
  468   3HD2  LEU  65          HD23      LEU  65  23.406  -5.364  -5.364
  469    H    THR  66           HN       THR  66  22.699   0.044   0.044
  470    HA   THR  66           HA       THR  66  20.837   1.997   1.997
  471    HB   THR  66           HB       THR  66  23.114   2.989   2.989
  472    HG1  THR  66           HG1      THR  66  21.010   1.459   1.459
  473   1HG2  THR  66          HG22      THR  66  20.177   3.438   3.438
  474   2HG2  THR  66          HG21      THR  66  20.953   3.963   3.963
  475   3HG2  THR  66          HG23      THR  66  21.505   4.598   4.598
  476    H    ASP  67           HN       ASP  67  22.303   4.247   4.247
  477    HA   ASP  67           HA       ASP  67  23.938   3.457   3.457
  478   1HB   ASP  67           HB2      ASP  67  23.296   6.295   6.295
  479   2HB   ASP  67           HB1      ASP  67  23.597   5.629   5.629
  480    H    GLU  68           HN       GLU  68  24.134   5.743   5.743
  481    HA   GLU  68           HA       GLU  68  27.005   6.125   6.125
  482   1HB   GLU  68           HB2      GLU  68  24.927   6.736   6.736
  483   2HB   GLU  68           HB1      GLU  68  26.639   7.117   7.117
  484   1HG   GLU  68           HG2      GLU  68  26.369   8.221   8.221
  485   2HG   GLU  68           HG1      GLU  68  24.676   8.315   8.315
  486    H    GLN  69           HN       GLN  69  25.377   3.441   3.441
  487    HA   GLN  69           HA       GLN  69  27.078   2.570   2.570
  488   1HB   GLN  69           HB2      GLN  69  24.463   1.799   1.799
  489   2HB   GLN  69           HB1      GLN  69  25.375   0.538   0.538
  490   1HG   GLN  69           HG2      GLN  69  23.753   1.824   1.824
  491   2HG   GLN  69           HG1      GLN  69  25.423   1.895   1.895
  492   1HE2  GLN  69          HE22      GLN  69  25.861   5.292   5.292
  493   2HE2  GLN  69          HE21      GLN  69  26.672   3.850   3.850
  494    H    ILE  70           HN       ILE  70  26.304   1.984   1.984
  495    HA   ILE  70           HA       ILE  70  27.989  -0.398  -0.398
  496    HB   ILE  70           HB       ILE  70  27.506   1.434   1.434
  497   1HG1  ILE  70          HG12      ILE  70  25.353   1.551   1.551
  498   2HG1  ILE  70          HG11      ILE  70  25.226   0.309   0.309
  499   1HG2  ILE  70          HG23      ILE  70  27.648  -1.536  -1.536
  500   2HG2  ILE  70          HG22      ILE  70  26.950  -0.904  -0.904
  501   3HG2  ILE  70          HG21      ILE  70  28.631  -0.556  -0.556
  502   1HD1  ILE  70          HD12      ILE  70  26.064  -1.159  -1.159
  503   2HD1  ILE  70          HD11      ILE  70  25.038   0.054   0.054
  504   3HD1  ILE  70          HD13      ILE  70  24.380  -0.986  -0.986
  505    H    GLN  71           HN       GLN  71  28.228   3.013   3.013
  506    HA   GLN  71           HA       GLN  71  30.921   3.243   3.243
  507   1HB   GLN  71           HB2      GLN  71  28.869   5.060   5.060
  508   2HB   GLN  71           HB1      GLN  71  30.487   5.632   5.632
  509   1HG   GLN  71           HG2      GLN  71  29.338   4.195   4.195
  510   2HG   GLN  71           HG1      GLN  71  28.347   5.573   5.573
  511   1HE2  GLN  71          HE22      GLN  71  31.412   7.742   7.742
  512   2HE2  GLN  71          HE21      GLN  71  30.461   7.295   7.295
  513    H    ASP  72           HN       ASP  72  29.426   4.313   4.313
  514    HA   ASP  72           HA       ASP  72  31.727   4.636   4.636
  515   1HB   ASP  72           HB2      ASP  72  29.577   5.613   5.613
  516   2HB   ASP  72           HB1      ASP  72  28.895   4.011   4.011
  517    H    VAL  73           HN       VAL  73  29.853   1.716   1.716
  518    HA   VAL  73           HA       VAL  73  30.904   0.194   0.194
  519    HB   VAL  73           HB       VAL  73  28.874  -0.454  -0.454
  520   1HG1  VAL  73          HG13      VAL  73  30.311  -0.024  -0.024
  521   2HG1  VAL  73          HG12      VAL  73  30.807  -1.699  -1.699
  522   3HG1  VAL  73          HG11      VAL  73  29.102  -1.309  -1.309
  523   1HG2  VAL  73          HG22      VAL  73  31.162  -2.319  -2.319
  524   2HG2  VAL  73          HG21      VAL  73  29.655  -2.130  -2.130
  525   3HG2  VAL  73          HG23      VAL  73  29.651  -2.925  -2.925
  526    H    ALA  74           HN       ALA  74  32.068   1.051   1.051
  527    HA   ALA  74           HA       ALA  74  34.196  -0.946  -0.946
  528   1HB   ALA  74           HB1      ALA  74  33.194   1.128   1.128
  529   2HB   ALA  74           HB3      ALA  74  34.944   1.261   1.261
  530   3HB   ALA  74           HB2      ALA  74  34.222  -0.249  -0.249
  531    H    ALA  75           HN       ALA  75  34.048   2.581   2.581
  532    HA   ALA  75           HA       ALA  75  36.682   2.885   2.885
  533   1HB   ALA  75           HB1      ALA  75  34.169   4.473   4.473
  534   2HB   ALA  75           HB3      ALA  75  35.232   4.859   4.859
  535   3HB   ALA  75           HB2      ALA  75  35.834   4.982   4.982
  536    H    TYR  76           HN       TYR  76  33.747   1.554   1.554
  537    HA   TYR  76           HA       TYR  76  34.106   1.850   1.850
  538   1HB   TYR  76           HB2      TYR  76  31.895   1.248   1.248
  539   2HB   TYR  76           HB1      TYR  76  32.588  -0.211  -0.211
  540    HD1  TYR  76           HD1      TYR  76  31.838   1.444   1.444
  541    HD2  TYR  76           HD2      TYR  76  32.935  -2.156  -2.156
  542    HE1  TYR  76           HE1      TYR  76  31.420   0.253   0.253
  543    HE2  TYR  76           HE2      TYR  76  32.531  -3.406  -3.406
  544    HH   TYR  76           HH       TYR  76  31.797  -3.278  -3.278
  545    H    VAL  77           HN       VAL  77  34.984  -0.614  -0.614
  546    HA   VAL  77           HA       VAL  77  36.134  -2.393  -2.393
  547    HB   VAL  77           HB       VAL  77  36.439  -2.137  -2.137
  548   1HG1  VAL  77          HG13      VAL  77  37.837  -3.943  -3.943
  549   2HG1  VAL  77          HG12      VAL  77  37.510  -4.495  -4.495
  550   3HG1  VAL  77          HG11      VAL  77  38.515  -3.070  -3.070
  551   1HG2  VAL  77          HG23      VAL  77  34.856  -3.818  -3.818
  552   2HG2  VAL  77          HG22      VAL  77  34.367  -3.105  -3.105
  553   3HG2  VAL  77          HG21      VAL  77  35.379  -4.548  -4.548
  554    H    LEU  78           HN       LEU  78  37.170   0.491   0.491
  555    HA   LEU  78           HA       LEU  78  40.018  -0.003  -0.003
  556   1HB   LEU  78           HB2      LEU  78  39.003   2.717   2.717
  557   2HB   LEU  78           HB1      LEU  78  40.469   1.893   1.893
  558    HG   LEU  78           HG       LEU  78  37.636   1.348   1.348
  559   1HD1  LEU  78          HD11      LEU  78  39.035   3.306   3.306
  560   2HD1  LEU  78          HD13      LEU  78  40.065   2.066   2.066
  561   3HD1  LEU  78          HD12      LEU  78  38.364   2.172   2.172
  562   1HD2  LEU  78          HD21      LEU  78  39.253  -0.678  -0.678
  563   2HD2  LEU  78          HD23      LEU  78  38.394  -0.537  -0.537
  564   3HD2  LEU  78          HD22      LEU  78  40.084  -0.047  -0.047
  565    H    ASP  79           HN       ASP  79  37.297   1.009   1.009
  566    HA   ASP  79           HA       ASP  79  38.782   2.776   2.776
  567   1HB   ASP  79           HB2      ASP  79  36.326   3.062   3.062
  568   2HB   ASP  79           HB1      ASP  79  35.925   2.038   2.038
  569    H    GLN  80           HN       GLN  80  37.110  -0.294  -0.294
  570    HA   GLN  80           HA       GLN  80  37.408  -0.895  -0.895
  571   1HB   GLN  80           HB2      GLN  80  36.698  -2.734  -2.734
  572   2HB   GLN  80           HB1      GLN  80  36.316  -2.959  -2.959
  573   1HG   GLN  80           HG2      GLN  80  35.374  -0.416  -0.416
  574   2HG   GLN  80           HG1      GLN  80  34.615  -1.868  -1.868
  575   1HE2  GLN  80          HE22      GLN  80  33.107  -0.573  -0.573
  576   2HE2  GLN  80          HE21      GLN  80  33.776   0.352   0.352
  577    H    ALA  81           HN       ALA  81  39.058  -1.704  -1.704
  578    HA   ALA  81           HA       ALA  81  40.677  -3.831  -3.831
  579   1HB   ALA  81           HB2      ALA  81  41.292  -1.826  -1.826
  580   2HB   ALA  81           HB1      ALA  81  42.159  -3.336  -3.336
  581   3HB   ALA  81           HB3      ALA  81  40.466  -3.369  -3.369
  582    H    ALA  82           HN       ALA  82  41.319  -0.340  -0.340
  583    HA   ALA  82           HA       ALA  82  43.789  -0.627  -0.627
  584   1HB   ALA  82           HB3      ALA  82  42.408   1.647   1.647
  585   2HB   ALA  82           HB2      ALA  82  43.704   1.972   1.972
  586   3HB   ALA  82           HB1      ALA  82  44.022   0.995   0.995
  587    H    LYS  83           HN       LYS  83  40.903  -1.018  -1.018
  588    HA   LYS  83           HA       LYS  83  41.354   0.682   0.682
  589   1HB   LYS  83           HB2      LYS  83  39.609   1.792   1.792
  590   2HB   LYS  83           HB1      LYS  83  38.730   0.274   0.274
  591   1HG   LYS  83           HG2      LYS  83  37.843   0.414   0.414
  592   2HG   LYS  83           HG1      LYS  83  39.364   0.966   0.966
  593   1HD   LYS  83           HD2      LYS  83  37.692   2.777   2.777
  594   2HD   LYS  83           HD1      LYS  83  37.389   2.635   2.635
  595   1HE   LYS  83           HE2      LYS  83  38.992   4.205   4.205
  596   2HE   LYS  83           HE1      LYS  83  40.151   2.950   2.950
  597   1HZ   LYS  83           HZ1      LYS  83  39.031   3.902   3.902
  598   2HZ   LYS  83           HZ3      LYS  83  39.444   5.263   5.263
  599   3HZ   LYS  83           HZ2      LYS  83  40.626   4.102   4.102
  600    H    GLY  84           HN       GLY  84  41.461  -2.360  -2.360
  601   1HA   GLY  84           HA2      GLY  84  41.316  -4.288  -4.288
  602   2HA   GLY  84           HA1      GLY  84  40.632  -3.279  -3.279
  603    H    TRP  85           HN       TRP  85  39.899  -4.712  -4.712
  604    HA   TRP  85           HA       TRP  85  37.222  -4.323  -4.323
  605   1HB   TRP  85           HB2      TRP  85  38.986  -6.685  -6.685
  606   2HB   TRP  85           HB1      TRP  85  37.263  -7.033  -7.033
  607    HD1  TRP  85           HD1      TRP  85  39.923  -6.053  -6.053
  608    HE1  TRP  85           HE1      TRP  85  38.935  -5.060  -5.060
  609    HE3  TRP  85           HE3      TRP  85  35.149  -5.299  -5.299
  610    HZ2  TRP  85           HZ2      TRP  85  36.424  -4.092  -4.092
  611    HZ3  TRP  85           HZ3      TRP  85  33.471  -4.336  -4.336
  612    HH2  TRP  85           HH2      TRP  85  34.084  -3.697  -3.697
  613    H    ALA  86           HN       ALA  86  36.163  -3.859  -3.859
  614    HA   ALA  86           HA       ALA  86  36.034  -5.491  -5.491
  615   1HB   ALA  86           HB1      ALA  86  34.932  -3.074  -3.074
  616   2HB   ALA  86           HB3      ALA  86  33.520  -4.116  -4.116
  617   3HB   ALA  86           HB2      ALA  86  34.629  -3.889  -3.889
  618    H    GLY  87           HN       GLY  87  34.510  -5.844  -5.844
  619   1HA   GLY  87           HA2      GLY  87  32.902  -7.368  -7.368
  620   2HA   GLY  87           HA1      GLY  87  33.743  -8.491  -8.491
  621    HHA  HEC  88           HA       HEM  88  36.096 -10.237 -10.237
  622    HHB  HEC  88           HB       HEM  88  34.166  -5.742  -5.742
  623    HHC  HEC  88           HC       HEM  88  28.509  -8.588  -8.588
  624    HHD  HEC  88           HD       HEM  88  30.944 -13.619 -13.619
  625   1HMA  HEC  88          HMA1      HEM  88  36.859  -5.191  -5.191
  626   2HMA  HEC  88          HMA2      HEM  88  37.744  -6.441  -6.441
  627   3HMA  HEC  88          HMA3      HEM  88  36.295  -5.628  -5.628
  628   1HAA  HEC  88          HAA1      HEM  88  37.474  -7.183  -7.183
  629   2HAA  HEC  88          HAA2      HEM  88  37.420  -8.976  -8.976
  630   1HBA  HEC  88          HBA1      HEM  88  39.534  -8.547  -8.547
  631   2HBA  HEC  88          HBA2      HEM  88  39.004  -7.052  -7.052
  632   1HMB  HEC  88          HMB1      HEM  88  31.240  -4.105  -4.105
  633   2HMB  HEC  88          HMB2      HEM  88  32.125  -5.173  -5.173
  634   3HMB  HEC  88          HMB3      HEM  88  32.974  -4.523  -4.523
  635    HAB  HEC  88           HAB      HEM  88  28.258  -6.708  -6.708
  636   1HBB  HEC  88          HBB1      HEM  88  29.384  -3.926  -3.926
  637   2HBB  HEC  88          HBB2      HEM  88  27.817  -4.658  -4.658
  638   3HBB  HEC  88          HBB3      HEM  88  29.353  -5.159  -5.159
  639   1HMC  HEC  88          HMC1      HEM  88  27.276 -11.374 -11.374
  640   2HMC  HEC  88          HMC2      HEM  88  26.490 -11.565 -11.565
  641   3HMC  HEC  88          HMC3      HEM  88  26.905  -9.917  -9.917
  642    HAC  HEC  88           HAC      HEM  88  29.421 -14.197 -14.197
  643   1HBC  HEC  88          HBC1      HEM  88  27.501 -13.511 -13.511
  644   2HBC  HEC  88          HBC2      HEM  88  26.539 -13.150 -13.150
  645   3HBC  HEC  88          HBC3      HEM  88  27.037 -14.844 -14.844
  646   1HMD  HEC  88          HMD1      HEM  88  33.187 -14.575 -14.575
  647   2HMD  HEC  88          HMD2      HEM  88  33.874 -15.172 -15.172
  648   3HMD  HEC  88          HMD3      HEM  88  32.110 -14.801 -14.801
  649   1HAD  HEC  88          HAD1      HEM  88  35.936 -13.794 -13.794
  650   2HAD  HEC  88          HAD2      HEM  88  36.551 -12.089 -12.089
  651   1HBD  HEC  88          HBD1      HEM  88  35.626 -13.552 -13.552
  652   2HBD  HEC  88          HBD2      HEM  88  34.449 -12.212 -12.212

  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1  34.598   8.783   8.783
    2   2H    ALA   1           HT3      ALA   1  35.720  10.053  10.053
    3   3H    ALA   1           HT2      ALA   1  35.647   8.933   8.933
    4    HA   ALA   1           HA       ALA   1  34.273  10.299  10.299
    5   1HB   ALA   1           HB3      ALA   1  35.132  11.871  11.871
    6   2HB   ALA   1           HB2      ALA   1  33.377  11.946  11.946
    7   3HB   ALA   1           HB1      ALA   1  34.148  12.434  12.434
    8    H    ASP   2           HN       ASP   2  32.123  10.041  10.041
    9    HA   ASP   2           HA       ASP   2  29.863   9.478   9.478
   10   1HB   ASP   2           HB2      ASP   2  30.289   9.433   9.433
   11   2HB   ASP   2           HB1      ASP   2  28.777   9.657   9.657
   12    H    LEU   3           HN       LEU   3  32.464   7.607   7.607
   13    HA   LEU   3           HA       LEU   3  31.058   5.334   5.334
   14   1HB   LEU   3           HB2      LEU   3  33.095   4.161   4.161
   15   2HB   LEU   3           HB1      LEU   3  33.594   5.839   5.839
   16    HG   LEU   3           HG       LEU   3  33.593   5.893   5.893
   17   1HD1  LEU   3          HD13      LEU   3  33.064   3.147   3.147
   18   2HD1  LEU   3          HD12      LEU   3  34.599   3.258   3.258
   19   3HD1  LEU   3          HD11      LEU   3  33.123   3.893   3.893
   20   1HD2  LEU   3          HD21      LEU   3  35.538   5.596   5.596
   21   2HD2  LEU   3          HD23      LEU   3  35.839   5.986   5.986
   22   3HD2  LEU   3          HD22      LEU   3  35.905   4.310   4.310
   23    H    ALA   4           HN       ALA   4  30.731   6.681   6.681
   24    HA   ALA   4           HA       ALA   4  30.860   4.385   4.385
   25   1HB   ALA   4           HB2      ALA   4  29.767   7.136   7.136
   26   2HB   ALA   4           HB1      ALA   4  28.894   5.947   5.947
   27   3HB   ALA   4           HB3      ALA   4  30.618   6.208   6.208
   28    H    ASN   5           HN       ASN   5  28.623   5.736   5.736
   29    HA   ASN   5           HA       ASN   5  26.291   4.202   4.202
   30   1HB   ASN   5           HB2      ASN   5  27.149   6.041   6.041
   31   2HB   ASN   5           HB1      ASN   5  26.488   4.620   4.620
   32   1HD2  ASN   5          HD22      ASN   5  23.942   6.474   6.474
   33   2HD2  ASN   5          HD21      ASN   5  25.584   6.267   6.267
   34    H    GLY   6           HN       GLY   6  29.279   3.522   3.522
   35   1HA   GLY   6           HA2      GLY   6  28.611   1.177   1.177
   36   2HA   GLY   6           HA1      GLY   6  30.211   1.537   1.537
   37    H    ALA   7           HN       ALA   7  29.850   1.489   1.489
   38    HA   ALA   7           HA       ALA   7  29.896  -1.185  -1.185
   39   1HB   ALA   7           HB2      ALA   7  29.831   1.302   1.302
   40   2HB   ALA   7           HB1      ALA   7  28.646   0.237   0.237
   41   3HB   ALA   7           HB3      ALA   7  30.328  -0.277  -0.277
   42    H    LYS   8           HN       LYS   8  27.112   0.759   0.759
   43    HA   LYS   8           HA       LYS   8  25.226  -1.120  -1.120
   44   1HB   LYS   8           HB2      LYS   8  24.161   0.925   0.925
   45   2HB   LYS   8           HB1      LYS   8  25.052   1.324   1.324
   46   1HG   LYS   8           HG2      LYS   8  23.235  -0.995  -0.995
   47   2HG   LYS   8           HG1      LYS   8  22.421   0.536   0.536
   48   1HD   LYS   8           HD2      LYS   8  24.326  -0.090  -0.090
   49   2HD   LYS   8           HD1      LYS   8  22.616   0.315   0.315
   50   1HE   LYS   8           HE2      LYS   8  23.851   2.401   2.401
   51   2HE   LYS   8           HE1      LYS   8  24.876   2.083   2.083
   52   1HZ   LYS   8           HZ3      LYS   8  22.652   2.070   2.070
   53   2HZ   LYS   8           HZ2      LYS   8  22.043   2.896   2.896
   54   3HZ   LYS   8           HZ1      LYS   8  23.319   3.561   3.561
   55    H    VAL   9           HN       VAL   9  26.444  -0.329  -0.329
   56    HA   VAL   9           HA       VAL   9  25.148  -2.319  -2.319
   57    HB   VAL   9           HB       VAL   9  28.022  -1.421  -1.421
   58   1HG1  VAL   9          HG11      VAL   9  25.885  -2.382  -2.382
   59   2HG1  VAL   9          HG13      VAL   9  27.468  -1.771  -1.771
   60   3HG1  VAL   9          HG12      VAL   9  27.345  -3.256  -3.256
   61   1HG2  VAL   9          HG21      VAL   9  25.421  -0.099  -0.099
   62   2HG2  VAL   9          HG23      VAL   9  26.703   0.572   0.572
   63   3HG2  VAL   9          HG22      VAL   9  26.961   0.355   0.355
   64    H    PHE  10           HN       PHE  10  28.494  -2.453  -2.453
   65    HA   PHE  10           HA       PHE  10  28.842  -5.209  -5.209
   66   1HB   PHE  10           HB2      PHE  10  30.668  -3.547  -3.547
   67   2HB   PHE  10           HB1      PHE  10  30.211  -3.510  -3.510
   68    HD1  PHE  10           HD1      PHE  10  30.000  -5.760  -5.760
   69    HD2  PHE  10           HD2      PHE  10  32.188  -5.201  -5.201
   70    HE1  PHE  10           HE1      PHE  10  31.205  -7.835  -7.835
   71    HE2  PHE  10           HE2      PHE  10  33.421  -7.313  -7.313
   72    HZ   PHE  10           HZ       PHE  10  32.932  -8.643  -8.643
   73    H    SER  11           HN       SER  11  27.458  -3.543  -3.543
   74    HA   SER  11           HA       SER  11  27.397  -6.037  -6.037
   75   1HB   SER  11           HB2      SER  11  26.580  -4.729  -4.729
   76   2HB   SER  11           HB1      SER  11  27.746  -3.685  -3.685
   77    HG   SER  11           HG       SER  11  25.235  -3.170  -3.170
   78    H    GLY  12           HN       GLY  12  25.799  -5.462  -5.462
   79   1HA   GLY  12           HA2      GLY  12  23.378  -6.762  -6.762
   80   2HA   GLY  12           HA1      GLY  12  23.117  -5.169  -5.169
   81    H    ASN  13           HN       ASN  13  25.727  -6.595  -6.595
   82    HA   ASN  13           HA       ASN  13  24.113  -8.186  -8.186
   83   1HB   ASN  13           HB2      ASN  13  25.637  -5.917  -5.917
   84   2HB   ASN  13           HB1      ASN  13  24.231  -6.785  -6.785
   85   1HD2  ASN  13          HD22      ASN  13  23.699  -3.419  -3.419
   86   2HD2  ASN  13          HD21      ASN  13  25.228  -3.950  -3.950
   87    H    CYS  14           HN       CYS  14  27.222  -6.495  -6.495
   88    HA   CYS  14           HA       CYS  14  28.714  -8.460  -8.460
   89   1HB   CYS  14           HB2      CYS  14  29.942  -6.640  -6.640
   90   2HB   CYS  14           HB1      CYS  14  30.605  -7.156  -7.156
   91    H    ALA  15           HN       ALA  15  27.947  -7.985  -7.985
   92    HA   ALA  15           HA       ALA  15  29.663  -9.689  -9.689
   93   1HB   ALA  15           HB1      ALA  15  26.754  -9.066  -9.066
   94   2HB   ALA  15           HB3      ALA  15  27.476 -10.322 -10.322
   95   3HB   ALA  15           HB2      ALA  15  28.107  -8.677  -8.677
   96    H    ALA  16           HN       ALA  16  26.786 -10.652 -10.652
   97    HA   ALA  16           HA       ALA  16  26.775 -13.403 -13.403
   98   1HB   ALA  16           HB1      ALA  16  25.105 -11.973 -11.973
   99   2HB   ALA  16           HB3      ALA  16  26.121 -12.400 -12.400
  100   3HB   ALA  16           HB2      ALA  16  25.325 -13.665 -13.665
  101    H    CYS  17           HN       CYS  17  28.440 -11.820 -11.820
  102    HA   CYS  17           HA       CYS  17  29.900 -14.368 -14.368
  103   1HB   CYS  17           HB2      CYS  17  29.558 -11.927 -11.927
  104   2HB   CYS  17           HB1      CYS  17  30.531 -13.314 -13.314
  105    H    HIS  18           HN       HIS  18  30.491 -12.360 -12.360
  106    HA   HIS  18           HA       HIS  18  33.369 -12.221 -12.221
  107   1HB   HIS  18           HB2      HIS  18  31.619  -9.756  -9.756
  108   2HB   HIS  18           HB1      HIS  18  33.342  -9.709  -9.709
  109    HD1  HIS  18           HD1      HIS  18  34.967 -10.378 -10.378
  110    HD2  HIS  18           HD2      HIS  18  30.994 -10.026 -10.026
  111    HE1  HIS  18           HE1      HIS  18  34.982 -10.319 -10.319
  112    H    MET  19           HN       MET  19  31.077 -10.422 -10.422
  113    HA   MET  19           HA       MET  19  30.939 -10.229 -10.229
  114   1HB   MET  19           HB2      MET  19  30.943 -12.944 -12.944
  115   2HB   MET  19           HB1      MET  19  32.080 -12.771 -12.771
  116   1HG   MET  19           HG2      MET  19  30.341 -12.624 -12.624
  117   2HG   MET  19           HG1      MET  19  29.867 -11.120 -11.120
  118   1HE   MET  19           HE2      MET  19  29.891 -14.878 -14.878
  119   2HE   MET  19           HE1      MET  19  28.573 -14.521 -14.521
  120   3HE   MET  19           HE3      MET  19  28.244 -15.337 -15.337
  121    H    GLY  20           HN       GLY  20  32.364  -8.877  -8.877
  122   1HA   GLY  20           HA2      GLY  20  34.457  -7.973  -7.973
  123   2HA   GLY  20           HA1      GLY  20  34.629  -9.557  -9.557
  124    H    GLY  21           HN       GLY  21  34.821  -8.191  -8.191
  125   1HA   GLY  21           HA2      GLY  21  36.251  -8.787  -8.787
  126   2HA   GLY  21           HA1      GLY  21  37.496  -8.633  -8.633
  127    H    GLY  22           HN       GLY  22  35.188 -10.946 -10.946
  128   1HA   GLY  22           HA2      GLY  22  37.161 -13.087 -13.087
  129   2HA   GLY  22           HA1      GLY  22  35.754 -13.287 -13.287
  130    H    ASN  23           HN       ASN  23  36.783 -13.012 -13.012
  131    HA   ASN  23           HA       ASN  23  34.457 -13.214 -13.214
  132   1HB   ASN  23           HB2      ASN  23  37.101 -13.660 -13.660
  133   2HB   ASN  23           HB1      ASN  23  36.429 -15.280 -15.280
  134   1HD2  ASN  23          HD22      ASN  23  36.070 -13.220 -13.220
  135   2HD2  ASN  23          HD21      ASN  23  37.406 -13.512 -13.512
  136    H    VAL  24           HN       VAL  24  33.245 -15.125 -15.125
  137    HA   VAL  24           HA       VAL  24  33.095 -17.274 -17.274
  138    HB   VAL  24           HB       VAL  24  31.102 -15.782 -15.782
  139   1HG1  VAL  24          HG12      VAL  24  31.363 -15.305 -15.305
  140   2HG1  VAL  24          HG11      VAL  24  30.761 -16.932 -16.932
  141   3HG1  VAL  24          HG13      VAL  24  29.723 -15.748 -15.748
  142   1HG2  VAL  24          HG23      VAL  24  30.749 -18.628 -18.628
  143   2HG2  VAL  24          HG22      VAL  24  30.790 -18.085 -18.085
  144   3HG2  VAL  24          HG21      VAL  24  29.441 -17.631 -17.631
  145    H    VAL  25           HN       VAL  25  32.617 -16.630 -16.630
  146    HA   VAL  25           HA       VAL  25  32.840 -19.534 -19.534
  147    HB   VAL  25           HB       VAL  25  31.033 -18.302 -18.302
  148   1HG1  VAL  25          HG11      VAL  25  32.824 -16.255 -16.255
  149   2HG1  VAL  25          HG13      VAL  25  32.824 -16.900 -16.900
  150   3HG1  VAL  25          HG12      VAL  25  31.315 -16.361 -16.361
  151   1HG2  VAL  25          HG22      VAL  25  32.267 -20.257 -20.257
  152   2HG2  VAL  25          HG21      VAL  25  31.348 -19.220 -19.220
  153   3HG2  VAL  25          HG23      VAL  25  33.099 -19.053 -19.053
  154    H    MET  26           HN       MET  26  34.574 -16.503 -16.503
  155    HA   MET  26           HA       MET  26  36.659 -18.124 -18.124
  156   1HB   MET  26           HB2      MET  26  35.972 -15.209 -15.209
  157   2HB   MET  26           HB1      MET  26  37.634 -15.676 -15.676
  158   1HG   MET  26           HG2      MET  26  35.934 -17.378 -17.378
  159   2HG   MET  26           HG1      MET  26  35.332 -15.735 -15.735
  160   1HE   MET  26           HE3      MET  26  36.392 -17.657 -17.657
  161   2HE   MET  26           HE2      MET  26  37.990 -17.349 -17.349
  162   3HE   MET  26           HE1      MET  26  37.832 -18.307 -18.307
  163    H    ALA  27           HN       ALA  27  38.247 -18.918 -18.918
  164    HA   ALA  27           HA       ALA  27  38.809 -17.611 -17.611
  165   1HB   ALA  27           HB2      ALA  27  38.848 -20.264 -20.264
  166   2HB   ALA  27           HB1      ALA  27  40.547 -19.843 -19.843
  167   3HB   ALA  27           HB3      ALA  27  39.424 -19.675 -19.675
  168    H    ASN  28           HN       ASN  28  39.672 -15.687 -15.687
  169    HA   ASN  28           HA       ASN  28  42.476 -15.557 -15.557
  170   1HB   ASN  28           HB2      ASN  28  43.234 -15.644 -15.644
  171   2HB   ASN  28           HB1      ASN  28  42.260 -17.097 -17.097
  172   1HD2  ASN  28          HD22      ASN  28  39.472 -15.739 -15.739
  173   2HD2  ASN  28          HD21      ASN  28  39.751 -16.604 -16.604
  174    H    LYS  29           HN       LYS  29  39.591 -14.394 -14.394
  175    HA   LYS  29           HA       LYS  29  40.706 -11.652 -11.652
  176   1HB   LYS  29           HB2      LYS  29  38.548 -13.108 -13.108
  177   2HB   LYS  29           HB1      LYS  29  38.120 -11.460 -11.460
  178   1HG   LYS  29           HG2      LYS  29  40.008 -10.553 -10.553
  179   2HG   LYS  29           HG1      LYS  29  40.693 -12.159 -12.159
  180   1HD   LYS  29           HD2      LYS  29  37.985 -11.350 -11.350
  181   2HD   LYS  29           HD1      LYS  29  39.473 -11.153 -11.153
  182   1HE   LYS  29           HE2      LYS  29  38.898 -13.818 -13.818
  183   2HE   LYS  29           HE1      LYS  29  38.031 -13.368 -13.368
  184   1HZ   LYS  29           HZ3      LYS  29  40.939 -12.988 -12.988
  185   2HZ   LYS  29           HZ2      LYS  29  40.328 -14.554 -14.554
  186   3HZ   LYS  29           HZ1      LYS  29  39.945 -13.309 -13.309
  187    H    THR  30           HN       THR  30  40.615 -12.094 -12.094
  188    HA   THR  30           HA       THR  30  37.966 -11.620 -11.620
  189    HB   THR  30           HB       THR  30  40.619 -11.500 -11.500
  190    HG1  THR  30           HG1      THR  30  40.781 -13.427 -13.427
  191   1HG2  THR  30          HG21      THR  30  37.801 -11.543 -11.543
  192   2HG2  THR  30          HG23      THR  30  38.683 -12.865 -12.865
  193   3HG2  THR  30          HG22      THR  30  39.204 -11.198 -11.198
  194    H    LEU  31           HN       LEU  31  37.742  -9.743  -9.743
  195    HA   LEU  31           HA       LEU  31  38.785  -7.291  -7.291
  196   1HB   LEU  31           HB2      LEU  31  36.924  -7.214  -7.214
  197   2HB   LEU  31           HB1      LEU  31  37.018  -6.141  -6.141
  198    HG   LEU  31           HG       LEU  31  35.702  -8.832  -8.832
  199   1HD1  LEU  31          HD13      LEU  31  34.874  -6.141  -6.141
  200   2HD1  LEU  31          HD12      LEU  31  34.548  -6.903  -6.903
  201   3HD1  LEU  31          HD11      LEU  31  33.860  -7.582  -7.582
  202   1HD2  LEU  31          HD22      LEU  31  37.213  -7.758  -7.758
  203   2HD2  LEU  31          HD21      LEU  31  36.785  -9.426  -9.426
  204   3HD2  LEU  31          HD23      LEU  31  35.591  -8.356  -8.356
  205    H    LYS  32           HN       LYS  32  39.456  -9.310  -9.310
  206    HA   LYS  32           HA       LYS  32  40.139  -7.826  -7.826
  207   1HB   LYS  32           HB2      LYS  32  41.155 -10.240 -10.240
  208   2HB   LYS  32           HB1      LYS  32  42.485  -9.327  -9.327
  209   1HG   LYS  32           HG2      LYS  32  41.824  -9.923  -9.923
  210   2HG   LYS  32           HG1      LYS  32  40.230  -9.222  -9.222
  211   1HD   LYS  32           HD2      LYS  32  39.740 -11.485 -11.485
  212   2HD   LYS  32           HD1      LYS  32  39.790 -11.399 -11.399
  213   1HE   LYS  32           HE2      LYS  32  42.455 -11.837 -11.837
  214   2HE   LYS  32           HE1      LYS  32  41.443 -12.961 -12.961
  215   1HZ   LYS  32           HZ3      LYS  32  40.378 -13.490 -13.490
  216   2HZ   LYS  32           HZ2      LYS  32  41.678 -12.666 -12.666
  217   3HZ   LYS  32           HZ1      LYS  32  41.965 -14.049 -14.049
  218    H    LYS  33           HN       LYS  33  42.981  -8.454  -8.454
  219    HA   LYS  33           HA       LYS  33  43.458  -5.624  -5.624
  220   1HB   LYS  33           HB2      LYS  33  45.321  -5.304  -5.304
  221   2HB   LYS  33           HB1      LYS  33  43.969  -5.879  -5.879
  222   1HG   LYS  33           HG2      LYS  33  44.892  -8.225  -8.225
  223   2HG   LYS  33           HG1      LYS  33  46.332  -7.487  -7.487
  224   1HD   LYS  33           HD2      LYS  33  45.281  -6.691  -6.691
  225   2HD   LYS  33           HD1      LYS  33  46.454  -7.990  -7.990
  226   1HE   LYS  33           HE2      LYS  33  48.099  -6.455  -6.455
  227   2HE   LYS  33           HE1      LYS  33  47.362  -5.773  -5.773
  228   1HZ   LYS  33           HZ1      LYS  33  46.048  -5.056  -5.056
  229   2HZ   LYS  33           HZ3      LYS  33  47.632  -4.468  -4.468
  230   3HZ   LYS  33           HZ2      LYS  33  46.479  -4.086  -4.086
  231    H    GLU  34           HN       GLU  34  44.969  -8.814  -8.814
  232    HA   GLU  34           HA       GLU  34  47.149  -8.317  -8.317
  233   1HB   GLU  34           HB2      GLU  34  45.873 -10.786 -10.786
  234   2HB   GLU  34           HB1      GLU  34  47.103 -10.931 -10.931
  235   1HG   GLU  34           HG2      GLU  34  48.053  -9.027  -9.027
  236   2HG   GLU  34           HG1      GLU  34  47.469 -10.424 -10.424
  237    H    ALA  35           HN       ALA  35  44.039  -9.975  -9.975
  238    HA   ALA  35           HA       ALA  35  44.571 -10.582 -10.582
  239   1HB   ALA  35           HB2      ALA  35  41.957 -10.252 -10.252
  240   2HB   ALA  35           HB1      ALA  35  42.079 -10.865 -10.865
  241   3HB   ALA  35           HB3      ALA  35  42.815 -11.759 -11.759
  242    H    LEU  36           HN       LEU  36  42.798  -7.872  -7.872
  243    HA   LEU  36           HA       LEU  36  42.050  -6.652  -6.652
  244   1HB   LEU  36           HB2      LEU  36  41.904  -4.522  -4.522
  245   2HB   LEU  36           HB1      LEU  36  40.928  -5.883  -5.883
  246    HG   LEU  36           HG       LEU  36  43.670  -5.739  -5.739
  247   1HD1  LEU  36          HD12      LEU  36  42.415  -3.363  -3.363
  248   2HD1  LEU  36          HD11      LEU  36  41.625  -4.042  -4.042
  249   3HD1  LEU  36          HD13      LEU  36  43.379  -3.872  -3.872
  250   1HD2  LEU  36          HD22      LEU  36  41.021  -6.818  -6.818
  251   2HD2  LEU  36          HD21      LEU  36  42.598  -7.334  -7.334
  252   3HD2  LEU  36          HD23      LEU  36  41.742  -6.009  -6.009
  253    H    GLU  37           HN       GLU  37  44.989  -6.360  -6.360
  254    HA   GLU  37           HA       GLU  37  46.026  -4.359  -4.359
  255   1HB   GLU  37           HB2      GLU  37  47.410  -5.605  -5.605
  256   2HB   GLU  37           HB1      GLU  37  47.864  -4.118  -4.118
  257   1HG   GLU  37           HG2      GLU  37  46.152  -2.902  -2.902
  258   2HG   GLU  37           HG1      GLU  37  45.067  -4.294  -4.294
  259    H    GLN  38           HN       GLN  38  45.663  -7.550  -7.550
  260    HA   GLN  38           HA       GLN  38  48.337  -8.249  -8.249
  261   1HB   GLN  38           HB2      GLN  38  47.333 -10.033 -10.033
  262   2HB   GLN  38           HB1      GLN  38  45.755  -9.735  -9.735
  263   1HG   GLN  38           HG2      GLN  38  46.950 -11.757 -11.757
  264   2HG   GLN  38           HG1      GLN  38  46.501 -10.554 -10.554
  265   1HE2  GLN  38          HE22      GLN  38  50.393  -9.994  -9.994
  266   2HE2  GLN  38          HE21      GLN  38  49.145  -9.828  -9.828
  267    H    PHE  39           HN       PHE  39  45.008  -8.278  -8.278
  268    HA   PHE  39           HA       PHE  39  46.032  -8.265  -8.265
  269   1HB   PHE  39           HB2      PHE  39  43.365  -8.060  -8.060
  270   2HB   PHE  39           HB1      PHE  39  44.200  -9.589  -9.589
  271    HD1  PHE  39           HD1      PHE  39  42.304  -6.921  -6.921
  272    HD2  PHE  39           HD2      PHE  39  43.808 -10.944 -10.944
  273    HE1  PHE  39           HE1      PHE  39  40.962  -7.380  -7.380
  274    HE2  PHE  39           HE2      PHE  39  42.457 -11.400 -11.400
  275    HZ   PHE  39           HZ       PHE  39  41.033  -9.615  -9.615
  276    H    GLY  40           HN       GLY  40  43.907  -6.158  -6.158
  277   1HA   GLY  40           HA2      GLY  40  44.811  -3.708  -3.708
  278   2HA   GLY  40           HA1      GLY  40  44.381  -4.017  -4.017
  279    H    MET  41           HN       MET  41  42.463  -5.152  -5.152
  280    HA   MET  41           HA       MET  41  40.151  -3.687  -3.687
  281   1HB   MET  41           HB2      MET  41  38.801  -5.000  -5.000
  282   2HB   MET  41           HB1      MET  41  40.129  -6.092  -6.092
  283   1HG   MET  41           HG2      MET  41  40.099  -6.322  -6.322
  284   2HG   MET  41           HG1      MET  41  41.223  -4.974  -4.974
  285   1HE   MET  41           HE3      MET  41  39.005  -6.442  -6.442
  286   2HE   MET  41           HE2      MET  41  39.205  -5.189  -5.189
  287   3HE   MET  41           HE1      MET  41  37.622  -5.456  -5.456
  288    H    TYR  42           HN       TYR  42  42.450  -3.478  -3.478
  289    HA   TYR  42           HA       TYR  42  41.340  -1.961  -1.961
  290   1HB   TYR  42           HB2      TYR  42  43.776  -2.667  -2.667
  291   2HB   TYR  42           HB1      TYR  42  43.963  -1.202  -1.202
  292    HD1  TYR  42           HD1      TYR  42  43.086   1.026   1.026
  293    HD2  TYR  42           HD2      TYR  42  44.142  -2.546  -2.546
  294    HE1  TYR  42           HE1      TYR  42  43.386   2.353   2.353
  295    HE2  TYR  42           HE2      TYR  42  44.436  -1.223  -1.223
  296    HH   TYR  42           HH       TYR  42  44.571   2.191   2.191
  297    H    SER  43           HN       SER  43  41.763  -0.948  -0.948
  298    HA   SER  43           HA       SER  43  41.412   1.891   1.891
  299   1HB   SER  43           HB2      SER  43  41.727   2.297   2.297
  300   2HB   SER  43           HB1      SER  43  42.739   0.881   0.881
  301    HG   SER  43           HG       SER  43  40.586   1.136   1.136
  302    H    GLU  44           HN       GLU  44  39.506   2.993   2.993
  303    HA   GLU  44           HA       GLU  44  37.010   1.786   1.786
  304   1HB   GLU  44           HB2      GLU  44  37.988   4.501   4.501
  305   2HB   GLU  44           HB1      GLU  44  36.350   4.171   4.171
  306   1HG   GLU  44           HG2      GLU  44  36.139   3.092   3.092
  307   2HG   GLU  44           HG1      GLU  44  37.413   4.260   4.260
  308    H    ASP  45           HN       ASP  45  38.289   3.272   3.272
  309    HA   ASP  45           HA       ASP  45  36.170   2.556   2.556
  310   1HB   ASP  45           HB2      ASP  45  38.024   3.975   3.975
  311   2HB   ASP  45           HB1      ASP  45  39.076   2.566   2.566
  312    H    ALA  46           HN       ALA  46  38.797   0.522   0.522
  313    HA   ALA  46           HA       ALA  46  38.339  -1.679  -1.679
  314   1HB   ALA  46           HB2      ALA  46  40.421  -1.378  -1.378
  315   2HB   ALA  46           HB1      ALA  46  39.516  -1.737  -1.737
  316   3HB   ALA  46           HB3      ALA  46  39.708  -2.974  -2.974
  317    H    ILE  47           HN       ILE  47  37.682  -1.705  -1.705
  318    HA   ILE  47           HA       ILE  47  35.837  -3.895  -3.895
  319    HB   ILE  47           HB       ILE  47  37.077  -3.332  -3.332
  320   1HG1  ILE  47          HG12      ILE  47  34.084  -3.038  -3.038
  321   2HG1  ILE  47          HG11      ILE  47  34.956  -4.566  -4.566
  322   1HG2  ILE  47          HG23      ILE  47  36.166  -0.731  -0.731
  323   2HG2  ILE  47          HG22      ILE  47  35.394  -1.218  -1.218
  324   3HG2  ILE  47          HG21      ILE  47  37.151  -1.252  -1.252
  325   1HD1  ILE  47          HD12      ILE  47  36.384  -3.220  -3.220
  326   2HD1  ILE  47          HD11      ILE  47  34.759  -2.593  -2.593
  327   3HD1  ILE  47          HD13      ILE  47  35.059  -4.327  -4.327
  328    H    ILE  48           HN       ILE  48  35.504  -0.545  -0.545
  329    HA   ILE  48           HA       ILE  48  32.673  -0.293  -0.293
  330    HB   ILE  48           HB       ILE  48  34.663   1.307   1.307
  331   1HG1  ILE  48          HG12      ILE  48  32.874   1.998   1.998
  332   2HG1  ILE  48          HG11      ILE  48  34.583   1.598   1.598
  333   1HG2  ILE  48          HG21      ILE  48  31.747   1.252   1.252
  334   2HG2  ILE  48          HG23      ILE  48  32.399   2.852   2.852
  335   3HG2  ILE  48          HG22      ILE  48  32.972   1.959   1.959
  336   1HD1  ILE  48          HD12      ILE  48  33.439   3.912   3.912
  337   2HD1  ILE  48          HD11      ILE  48  34.215   4.051   4.051
  338   3HD1  ILE  48          HD13      ILE  48  35.151   3.525   3.525
  339    H    TYR  49           HN       TYR  49  34.654  -1.541  -1.541
  340    HA   TYR  49           HA       TYR  49  32.457  -1.710  -1.710
  341   1HB   TYR  49           HB2      TYR  49  34.668  -1.280  -1.280
  342   2HB   TYR  49           HB1      TYR  49  35.324  -2.692  -2.692
  343    HD1  TYR  49           HD1      TYR  49  32.597  -1.770  -1.770
  344    HD2  TYR  49           HD2      TYR  49  35.487  -4.700  -4.700
  345    HE1  TYR  49           HE1      TYR  49  31.990  -3.183  -3.183
  346    HE2  TYR  49           HE2      TYR  49  34.879  -6.113  -6.113
  347    HH   TYR  49           HH       TYR  49  32.112  -5.445  -5.445
  348    H    GLN  50           HN       GLN  50  34.705  -4.255  -4.255
  349    HA   GLN  50           HA       GLN  50  33.120  -6.432  -6.432
  350   1HB   GLN  50           HB2      GLN  50  33.991  -7.506  -7.506
  351   2HB   GLN  50           HB1      GLN  50  35.152  -7.070  -7.070
  352   1HG   GLN  50           HG2      GLN  50  34.497  -4.955  -4.955
  353   2HG   GLN  50           HG1      GLN  50  35.367  -6.334  -6.334
  354   1HE2  GLN  50          HE22      GLN  50  37.448  -4.944  -4.944
  355   2HE2  GLN  50          HE21      GLN  50  35.912  -5.638  -5.638
  356    H    VAL  51           HN       VAL  51  32.503  -4.034  -4.034
  357    HA   VAL  51           HA       VAL  51  30.360  -5.542  -5.542
  358    HB   VAL  51           HB       VAL  51  31.194  -2.632  -2.632
  359   1HG1  VAL  51          HG13      VAL  51  28.708  -3.027  -3.027
  360   2HG1  VAL  51          HG12      VAL  51  29.147  -3.992  -3.992
  361   3HG1  VAL  51          HG11      VAL  51  29.552  -2.277  -2.277
  362   1HG2  VAL  51          HG22      VAL  51  32.475  -4.688  -4.688
  363   2HG2  VAL  51          HG21      VAL  51  32.300  -3.148  -3.148
  364   3HG2  VAL  51          HG23      VAL  51  31.216  -4.487  -4.487
  365    H    GLN  52           HN       GLN  52  30.630  -2.827  -2.827
  366    HA   GLN  52           HA       GLN  52  27.844  -2.390  -2.390
  367   1HB   GLN  52           HB2      GLN  52  30.312  -1.450  -1.450
  368   2HB   GLN  52           HB1      GLN  52  29.083  -1.663  -1.663
  369   1HG   GLN  52           HG2      GLN  52  27.854   0.080   0.080
  370   2HG   GLN  52           HG1      GLN  52  28.009  -0.455  -0.455
  371   1HE2  GLN  52          HE22      GLN  52  31.305   1.626   1.626
  372   2HE2  GLN  52          HE21      GLN  52  30.787   0.260   0.260
  373    H    HIS  53           HN       HIS  53  29.796  -4.980  -4.980
  374    HA   HIS  53           HA       HIS  53  27.511  -5.858  -5.858
  375   1HB   HIS  53           HB2      HIS  53  30.043  -6.079  -6.079
  376   2HB   HIS  53           HB1      HIS  53  28.442  -5.787  -5.787
  377    HD1  HIS  53           HD1      HIS  53  28.044  -3.454  -3.454
  378    HD2  HIS  53           HD2      HIS  53  31.108  -3.565  -3.565
  379    HE1  HIS  53           HE1      HIS  53  28.993  -1.107  -1.107
  380    H    GLY  54           HN       GLY  54  29.345  -6.583  -6.583
  381   1HA   GLY  54           HA2      GLY  54  30.294  -8.582  -8.582
  382   2HA   GLY  54           HA1      GLY  54  29.260  -9.380  -9.380
  383    H    LYS  55           HN       LYS  55  30.690 -10.726 -10.726
  384    HA   LYS  55           HA       LYS  55  32.206 -10.379 -10.379
  385   1HB   LYS  55           HB2      LYS  55  33.582  -9.112  -9.112
  386   2HB   LYS  55           HB1      LYS  55  34.564 -10.354 -10.354
  387   1HG   LYS  55           HG2      LYS  55  34.640  -7.900  -7.900
  388   2HG   LYS  55           HG1      LYS  55  34.608  -9.270  -9.270
  389   1HD   LYS  55           HD2      LYS  55  31.893  -8.569  -8.569
  390   2HD   LYS  55           HD1      LYS  55  32.759  -7.091  -7.091
  391   1HE   LYS  55           HE2      LYS  55  32.860  -7.658  -7.658
  392   2HE   LYS  55           HE1      LYS  55  33.523  -9.244  -9.244
  393   1HZ   LYS  55           HZ3      LYS  55  30.650  -8.501  -8.501
  394   2HZ   LYS  55           HZ2      LYS  55  31.392  -9.425  -9.425
  395   3HZ   LYS  55           HZ1      LYS  55  31.290 -10.028 -10.028
  396    H    ASN  56           HN       ASN  56  32.859 -12.394 -12.394
  397    HA   ASN  56           HA       ASN  56  33.285 -14.691 -14.691
  398   1HB   ASN  56           HB2      ASN  56  34.402 -13.757 -13.757
  399   2HB   ASN  56           HB1      ASN  56  34.505 -15.433 -15.433
  400   1HD2  ASN  56          HD22      ASN  56  36.721 -12.562 -12.562
  401   2HD2  ASN  56          HD21      ASN  56  35.366 -12.091 -12.091
  402    H    ALA  57           HN       ALA  57  32.777 -14.410 -14.410
  403    HA   ALA  57           HA       ALA  57  30.036 -15.561 -15.561
  404   1HB   ALA  57           HB2      ALA  57  32.336 -16.518 -16.518
  405   2HB   ALA  57           HB1      ALA  57  30.680 -16.805 -16.805
  406   3HB   ALA  57           HB3      ALA  57  31.239 -17.458 -17.458
  407    H    MET  58           HN       MET  58  30.571 -12.833 -12.833
  408    HA   MET  58           HA       MET  58  29.836 -12.400 -12.400
  409   1HB   MET  58           HB2      MET  58  32.049 -11.502 -11.502
  410   2HB   MET  58           HB1      MET  58  31.169 -10.448 -10.448
  411   1HG   MET  58           HG2      MET  58  30.046  -9.368  -9.368
  412   2HG   MET  58           HG1      MET  58  30.816 -10.483 -10.483
  413   1HE   MET  58           HE2      MET  58  30.544  -7.419  -7.419
  414   2HE   MET  58           HE1      MET  58  31.568  -7.597  -7.597
  415   3HE   MET  58           HE3      MET  58  32.087  -6.568  -6.568
  416    HA   PRO  59           HA       PRO  59  26.006 -10.844 -10.844
  417   1HB   PRO  59           HB2      PRO  59  25.202  -9.602  -9.602
  418   2HB   PRO  59           HB1      PRO  59  25.163 -11.352 -11.352
  419   1HG   PRO  59           HG2      PRO  59  27.011  -9.712  -9.712
  420   2HG   PRO  59           HG1      PRO  59  26.592 -11.421 -11.421
  421   1HD   PRO  59           HD2      PRO  59  28.962 -10.342 -10.342
  422   2HD   PRO  59           HD1      PRO  59  28.458 -12.042 -12.042
  423    H    ALA  60           HN       ALA  60  26.353  -9.158  -9.158
  424    HA   ALA  60           HA       ALA  60  27.420  -6.652  -6.652
  425   1HB   ALA  60           HB3      ALA  60  24.743  -7.407  -7.407
  426   2HB   ALA  60           HB2      ALA  60  25.615  -5.916  -5.916
  427   3HB   ALA  60           HB1      ALA  60  26.308  -7.474  -7.474
  428    H    PHE  61           HN       PHE  61  26.570  -4.556  -4.556
  429    HA   PHE  61           HA       PHE  61  24.270  -4.517  -4.517
  430   1HB   PHE  61           HB2      PHE  61  27.033  -3.437  -3.437
  431   2HB   PHE  61           HB1      PHE  61  25.614  -2.872  -2.872
  432    HD1  PHE  61           HD1      PHE  61  23.999  -4.955  -4.955
  433    HD2  PHE  61           HD2      PHE  61  28.254  -5.095  -5.095
  434    HE1  PHE  61           HE1      PHE  61  24.110  -6.915  -6.915
  435    HE2  PHE  61           HE2      PHE  61  28.372  -7.043  -7.043
  436    HZ   PHE  61           HZ       PHE  61  26.312  -7.948  -7.948
  437    H    ALA  62           HN       ALA  62  25.550  -3.393  -3.393
  438    HA   ALA  62           HA       ALA  62  25.518  -0.648  -0.648
  439   1HB   ALA  62           HB3      ALA  62  25.208  -2.714  -2.714
  440   2HB   ALA  62           HB2      ALA  62  23.881  -1.586  -1.586
  441   3HB   ALA  62           HB1      ALA  62  25.548  -1.012  -1.012
  442    H    GLY  63           HN       GLY  63  22.800  -2.768  -2.768
  443   1HA   GLY  63           HA2      GLY  63  21.237  -0.480  -0.480
  444   2HA   GLY  63           HA1      GLY  63  20.586  -1.209  -1.209
  445    H    ARG  64           HN       ARG  64  22.243  -2.946  -2.946
  446    HA   ARG  64           HA       ARG  64  19.737  -4.490  -4.490
  447   1HB   ARG  64           HB2      ARG  64  22.169  -5.447  -5.447
  448   2HB   ARG  64           HB1      ARG  64  22.385  -5.256  -5.256
  449   1HG   ARG  64           HG2      ARG  64  20.169  -6.519  -6.519
  450   2HG   ARG  64           HG1      ARG  64  20.360  -6.957  -6.957
  451   1HD   ARG  64           HD2      ARG  64  22.759  -7.657  -7.657
  452   2HD   ARG  64           HD1      ARG  64  22.142  -7.634  -7.634
  453    HE   ARG  64           HE       ARG  64  21.353  -9.781  -9.781
  454   1HH1  ARG  64          HH11      ARG  64  22.105  -8.677  -8.677
  455   2HH1  ARG  64          HH12      ARG  64  20.712  -9.298  -9.298
  456   1HH2  ARG  64          HH21      ARG  64  19.029 -10.126 -10.126
  457   2HH2  ARG  64          HH22      ARG  64  18.973 -10.121 -10.121
  458    H    LEU  65           HN       LEU  65  22.494  -2.910  -2.910
  459    HA   LEU  65           HA       LEU  65  20.959  -2.576  -2.576
  460   1HB   LEU  65           HB2      LEU  65  23.911  -2.208  -2.208
  461   2HB   LEU  65           HB1      LEU  65  23.144  -2.035  -2.035
  462    HG   LEU  65           HG       LEU  65  23.022  -4.579  -4.579
  463   1HD1  LEU  65          HD13      LEU  65  24.882  -3.800  -3.800
  464   2HD1  LEU  65          HD12      LEU  65  24.732  -5.427  -5.427
  465   3HD1  LEU  65          HD11      LEU  65  25.355  -4.120  -4.120
  466   1HD2  LEU  65          HD22      LEU  65  22.426  -3.938  -3.938
  467   2HD2  LEU  65          HD21      LEU  65  21.230  -4.288  -4.288
  468   3HD2  LEU  65          HD23      LEU  65  22.349  -5.546  -5.546
  469    H    THR  66           HN       THR  66  22.807  -0.304  -0.304
  470    HA   THR  66           HA       THR  66  21.284   1.755   1.755
  471    HB   THR  66           HB       THR  66  23.110   2.228   2.228
  472    HG1  THR  66           HG1      THR  66  21.011   2.178   2.178
  473   1HG2  THR  66          HG23      THR  66  20.933   3.722   3.722
  474   2HG2  THR  66          HG22      THR  66  21.336   4.103   4.103
  475   3HG2  THR  66          HG21      THR  66  22.558   4.262   4.262
  476    H    ASP  67           HN       ASP  67  22.611   3.775   3.775
  477    HA   ASP  67           HA       ASP  67  24.950   2.911   2.911
  478   1HB   ASP  67           HB2      ASP  67  23.809   5.702   5.702
  479   2HB   ASP  67           HB1      ASP  67  24.900   5.113   5.113
  480    H    GLU  68           HN       GLU  68  24.258   5.315   5.315
  481    HA   GLU  68           HA       GLU  68  26.986   6.089   6.089
  482   1HB   GLU  68           HB2      GLU  68  25.056   7.408   7.408
  483   2HB   GLU  68           HB1      GLU  68  24.589   6.083   6.083
  484   1HG   GLU  68           HG2      GLU  68  26.241   6.564   6.564
  485   2HG   GLU  68           HG1      GLU  68  27.396   7.018   7.018
  486    H    GLN  69           HN       GLN  69  25.425   3.186   3.186
  487    HA   GLN  69           HA       GLN  69  26.986   2.358   2.358
  488   1HB   GLN  69           HB2      GLN  69  24.679   1.309   1.309
  489   2HB   GLN  69           HB1      GLN  69  25.557   0.205   0.205
  490   1HG   GLN  69           HG2      GLN  69  23.524   1.276   1.276
  491   2HG   GLN  69           HG1      GLN  69  25.017   1.616   1.616
  492   1HE2  GLN  69          HE22      GLN  69  25.137   5.009   5.009
  493   2HE2  GLN  69          HE21      GLN  69  26.103   3.703   3.703
  494    H    ILE  70           HN       ILE  70  26.651   1.732   1.732
  495    HA   ILE  70           HA       ILE  70  28.667  -0.390  -0.390
  496    HB   ILE  70           HB       ILE  70  27.856   1.380   1.380
  497   1HG1  ILE  70          HG12      ILE  70  25.816   0.388   0.388
  498   2HG1  ILE  70          HG11      ILE  70  26.536  -0.848  -0.848
  499   1HG2  ILE  70          HG22      ILE  70  29.821  -0.658  -0.658
  500   2HG2  ILE  70          HG21      ILE  70  28.545  -1.304  -1.304
  501   3HG2  ILE  70          HG23      ILE  70  29.369   0.191   0.191
  502   1HD1  ILE  70          HD11      ILE  70  26.673  -0.842  -0.842
  503   2HD1  ILE  70          HD13      ILE  70  25.527  -1.788  -1.788
  504   3HD1  ILE  70          HD12      ILE  70  27.253  -2.116  -2.116
  505    H    GLN  71           HN       GLN  71  28.611   2.932   2.932
  506    HA   GLN  71           HA       GLN  71  31.321   3.449   3.449
  507   1HB   GLN  71           HB2      GLN  71  28.920   4.994   4.994
  508   2HB   GLN  71           HB1      GLN  71  30.480   5.753   5.753
  509   1HG   GLN  71           HG2      GLN  71  30.265   4.511   4.511
  510   2HG   GLN  71           HG1      GLN  71  29.087   5.798   5.798
  511   1HE2  GLN  71          HE22      GLN  71  31.664   8.312   8.312
  512   2HE2  GLN  71          HE21      GLN  71  30.134   7.860   7.860
  513    H    ASP  72           HN       ASP  72  29.495   4.305   4.305
  514    HA   ASP  72           HA       ASP  72  31.542   4.735   4.735
  515   1HB   ASP  72           HB2      ASP  72  28.678   3.870   3.870
  516   2HB   ASP  72           HB1      ASP  72  29.658   3.999   3.999
  517    H    VAL  73           HN       VAL  73  29.904   1.718   1.718
  518    HA   VAL  73           HA       VAL  73  31.106   0.070   0.070
  519    HB   VAL  73           HB       VAL  73  29.052  -0.454  -0.454
  520   1HG1  VAL  73          HG11      VAL  73  30.619  -0.085  -0.085
  521   2HG1  VAL  73          HG13      VAL  73  31.021  -1.779  -1.779
  522   3HG1  VAL  73          HG12      VAL  73  29.350  -1.310  -1.310
  523   1HG2  VAL  73          HG21      VAL  73  30.064  -2.037  -2.037
  524   2HG2  VAL  73          HG23      VAL  73  29.486  -2.866  -2.866
  525   3HG2  VAL  73          HG22      VAL  73  31.210  -2.547  -2.547
  526    H    ALA  74           HN       ALA  74  32.160   1.169   1.169
  527    HA   ALA  74           HA       ALA  74  34.358  -0.736  -0.736
  528   1HB   ALA  74           HB3      ALA  74  33.460   1.689   1.689
  529   2HB   ALA  74           HB2      ALA  74  35.162   1.242   1.242
  530   3HB   ALA  74           HB1      ALA  74  33.911   0.097   0.097
  531    H    ALA  75           HN       ALA  75  34.173   2.777   2.777
  532    HA   ALA  75           HA       ALA  75  36.797   3.100   3.100
  533   1HB   ALA  75           HB1      ALA  75  34.197   4.609   4.609
  534   2HB   ALA  75           HB3      ALA  75  35.486   5.044   5.044
  535   3HB   ALA  75           HB2      ALA  75  35.764   5.149   5.149
  536    H    TYR  76           HN       TYR  76  33.875   1.708   1.708
  537    HA   TYR  76           HA       TYR  76  34.280   1.868   1.868
  538   1HB   TYR  76           HB2      TYR  76  32.042   1.249   1.249
  539   2HB   TYR  76           HB1      TYR  76  32.798  -0.188  -0.188
  540    HD1  TYR  76           HD1      TYR  76  32.117   1.459   1.459
  541    HD2  TYR  76           HD2      TYR  76  33.014  -2.127  -2.127
  542    HE1  TYR  76           HE1      TYR  76  31.716   0.249   0.249
  543    HE2  TYR  76           HE2      TYR  76  32.606  -3.405  -3.405
  544    HH   TYR  76           HH       TYR  76  32.709  -2.870  -2.870
  545    H    VAL  77           HN       VAL  77  35.127  -0.511  -0.511
  546    HA   VAL  77           HA       VAL  77  36.361  -2.331  -2.331
  547    HB   VAL  77           HB       VAL  77  36.614  -1.992  -1.992
  548   1HG1  VAL  77          HG11      VAL  77  38.207  -3.571  -3.571
  549   2HG1  VAL  77          HG13      VAL  77  37.538  -4.512  -4.512
  550   3HG1  VAL  77          HG12      VAL  77  38.569  -3.124  -3.124
  551   1HG2  VAL  77          HG21      VAL  77  34.894  -3.524  -3.524
  552   2HG2  VAL  77          HG23      VAL  77  34.598  -3.033  -3.033
  553   3HG2  VAL  77          HG22      VAL  77  35.562  -4.471  -4.471
  554    H    LEU  78           HN       LEU  78  37.334   0.599   0.599
  555    HA   LEU  78           HA       LEU  78  40.199   0.114   0.114
  556   1HB   LEU  78           HB2      LEU  78  38.909   2.798   2.798
  557   2HB   LEU  78           HB1      LEU  78  40.536   2.274   2.274
  558    HG   LEU  78           HG       LEU  78  37.932   1.673   1.673
  559   1HD1  LEU  78          HD13      LEU  78  40.755   2.370   2.370
  560   2HD1  LEU  78          HD12      LEU  78  39.514   1.899   1.899
  561   3HD1  LEU  78          HD11      LEU  78  39.301   3.350   3.350
  562   1HD2  LEU  78          HD23      LEU  78  40.211  -0.236  -0.236
  563   2HD2  LEU  78          HD22      LEU  78  38.483  -0.566  -0.566
  564   3HD2  LEU  78          HD21      LEU  78  39.407  -0.153  -0.153
  565    H    ASP  79           HN       ASP  79  37.585   0.913   0.913
  566    HA   ASP  79           HA       ASP  79  39.147   2.555   2.555
  567   1HB   ASP  79           HB2      ASP  79  36.602   2.807   2.807
  568   2HB   ASP  79           HB1      ASP  79  36.351   1.718   1.718
  569    H    GLN  80           HN       GLN  80  37.198  -0.383  -0.383
  570    HA   GLN  80           HA       GLN  80  37.756  -1.285  -1.285
  571   1HB   GLN  80           HB2      GLN  80  36.938  -2.872  -2.872
  572   2HB   GLN  80           HB1      GLN  80  36.725  -3.337  -3.337
  573   1HG   GLN  80           HG2      GLN  80  35.548  -0.794  -0.794
  574   2HG   GLN  80           HG1      GLN  80  34.688  -2.337  -2.337
  575   1HE2  GLN  80          HE22      GLN  80  34.029  -0.387  -0.387
  576   2HE2  GLN  80          HE21      GLN  80  34.115   0.170   0.170
  577    H    ALA  81           HN       ALA  81  39.225  -2.021  -2.021
  578    HA   ALA  81           HA       ALA  81  40.898  -4.148  -4.148
  579   1HB   ALA  81           HB2      ALA  81  41.051  -2.146  -2.146
  580   2HB   ALA  81           HB1      ALA  81  42.409  -3.230  -3.230
  581   3HB   ALA  81           HB3      ALA  81  40.822  -3.892  -3.892
  582    H    ALA  82           HN       ALA  82  41.508  -0.650  -0.650
  583    HA   ALA  82           HA       ALA  82  44.081  -0.997  -0.997
  584   1HB   ALA  82           HB2      ALA  82  43.562   0.696   0.696
  585   2HB   ALA  82           HB1      ALA  82  42.753   1.634   1.634
  586   3HB   ALA  82           HB3      ALA  82  44.476   1.283   1.283
  587    H    LYS  83           HN       LYS  83  41.179  -1.290  -1.290
  588    HA   LYS  83           HA       LYS  83  42.008   0.180   0.180
  589   1HB   LYS  83           HB2      LYS  83  39.946   1.240   1.240
  590   2HB   LYS  83           HB1      LYS  83  40.192   1.385   1.385
  591   1HG   LYS  83           HG2      LYS  83  38.170   0.408   0.408
  592   2HG   LYS  83           HG1      LYS  83  38.942  -1.089  -1.089
  593   1HD   LYS  83           HD2      LYS  83  38.048  -0.964  -0.964
  594   2HD   LYS  83           HD1      LYS  83  38.138   0.797   0.797
  595   1HE   LYS  83           HE2      LYS  83  36.287   0.469   0.469
  596   2HE   LYS  83           HE1      LYS  83  35.961  -0.965  -0.965
  597   1HZ   LYS  83           HZ1      LYS  83  36.356   1.268   1.268
  598   2HZ   LYS  83           HZ3      LYS  83  35.178   1.642   1.642
  599   3HZ   LYS  83           HZ2      LYS  83  34.980   0.284   0.284
  600    H    GLY  84           HN       GLY  84  41.790  -2.764  -2.764
  601   1HA   GLY  84           HA2      GLY  84  41.581  -4.682  -4.682
  602   2HA   GLY  84           HA1      GLY  84  40.788  -3.676  -3.676
  603    H    TRP  85           HN       TRP  85  40.277  -5.041  -5.041
  604    HA   TRP  85           HA       TRP  85  37.606  -4.685  -4.685
  605   1HB   TRP  85           HB2      TRP  85  39.530  -6.791  -6.791
  606   2HB   TRP  85           HB1      TRP  85  37.883  -7.400  -7.400
  607    HD1  TRP  85           HD1      TRP  85  40.163  -6.097  -6.097
  608    HE1  TRP  85           HE1      TRP  85  38.929  -5.016  -5.016
  609    HE3  TRP  85           HE3      TRP  85  35.525  -5.616  -5.616
  610    HZ2  TRP  85           HZ2      TRP  85  36.324  -4.088  -4.088
  611    HZ3  TRP  85           HZ3      TRP  85  33.682  -4.614  -4.614
  612    HH2  TRP  85           HH2      TRP  85  34.063  -3.823  -3.823
  613    H    ALA  86           HN       ALA  86  36.547  -4.502  -4.502
  614    HA   ALA  86           HA       ALA  86  35.312  -5.329  -5.329
  615   1HB   ALA  86           HB1      ALA  86  34.933  -7.376  -7.376
  616   2HB   ALA  86           HB3      ALA  86  34.156  -7.577  -7.577
  617   3HB   ALA  86           HB2      ALA  86  33.793  -6.162  -6.162
  618    H    GLY  87           HN       GLY  87  38.149  -5.915  -5.915
  619   1HA   GLY  87           HA2      GLY  87  38.253  -7.760  -7.760
  620   2HA   GLY  87           HA1      GLY  87  38.765  -8.577  -8.577
  621    HHA  HEC  88           HA       HEM  88  36.049 -10.361 -10.361
  622    HHB  HEC  88           HB       HEM  88  34.069  -5.805  -5.805
  623    HHC  HEC  88           HC       HEM  88  28.467  -8.738  -8.738
  624    HHD  HEC  88           HD       HEM  88  30.718 -13.602 -13.602
  625   1HMA  HEC  88          HMA1      HEM  88  36.218  -5.735  -5.735
  626   2HMA  HEC  88          HMA2      HEM  88  36.662  -5.256  -5.256
  627   3HMA  HEC  88          HMA3      HEM  88  37.677  -6.451  -6.451
  628   1HAA  HEC  88          HAA1      HEM  88  37.798  -9.383  -9.383
  629   2HAA  HEC  88          HAA2      HEM  88  38.305  -7.815  -7.815
  630   1HBA  HEC  88          HBA1      HEM  88  36.578  -7.899  -7.899
  631   2HBA  HEC  88          HBA2      HEM  88  37.622  -6.558  -6.558
  632   1HMB  HEC  88          HMB1      HEM  88  31.939  -5.238  -5.238
  633   2HMB  HEC  88          HMB2      HEM  88  31.267  -4.156  -4.156
  634   3HMB  HEC  88          HMB3      HEM  88  32.979  -4.726  -4.726
  635    HAB  HEC  88           HAB      HEM  88  29.021  -5.189  -5.189
  636   1HBB  HEC  88          HBB1      HEM  88  27.778  -7.233  -7.233
  637   2HBB  HEC  88          HBB2      HEM  88  26.861  -6.043  -6.043
  638   3HBB  HEC  88          HBB3      HEM  88  27.517  -7.529  -7.529
  639   1HMC  HEC  88          HMC1      HEM  88  26.356 -11.476 -11.476
  640   2HMC  HEC  88          HMC2      HEM  88  26.866  -9.860  -9.860
  641   3HMC  HEC  88          HMC3      HEM  88  27.159 -11.359 -11.359
  642    HAC  HEC  88           HAC      HEM  88  29.358 -14.210 -14.210
  643   1HBC  HEC  88          HBC1      HEM  88  27.267 -15.024 -15.024
  644   2HBC  HEC  88          HBC2      HEM  88  26.366 -13.602 -13.602
  645   3HBC  HEC  88          HBC3      HEM  88  27.384 -13.424 -13.424
  646   1HMD  HEC  88          HMD1      HEM  88  33.604 -15.192 -15.192
  647   2HMD  HEC  88          HMD2      HEM  88  31.847 -14.792 -14.792
  648   3HMD  HEC  88          HMD3      HEM  88  32.740 -14.442 -14.442
  649   1HAD  HEC  88          HAD1      HEM  88  35.537 -13.949 -13.949
  650   2HAD  HEC  88          HAD2      HEM  88  36.394 -12.423 -12.423
  651   1HBD  HEC  88          HBD1      HEM  88  35.887 -13.076 -13.076
  652   2HBD  HEC  88          HBD2      HEM  88  34.277 -12.337 -12.337

  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1  31.856  11.757  11.757
    2   2H    ALA   1           HT3      ALA   1  33.157  11.490  11.490
    3   3H    ALA   1           HT2      ALA   1  33.451  11.858  11.858
    4    HA   ALA   1           HA       ALA   1  33.742   9.618   9.618
    5   1HB   ALA   1           HB1      ALA   1  32.439   9.772   9.772
    6   2HB   ALA   1           HB3      ALA   1  31.568   8.574   8.574
    7   3HB   ALA   1           HB2      ALA   1  33.301   8.395   8.395
    8    H    ASP   2           HN       ASP   2  32.981   8.851   8.851
    9    HA   ASP   2           HA       ASP   2  30.041   9.071   9.071
   10   1HB   ASP   2           HB2      ASP   2  31.113   8.978   8.978
   11   2HB   ASP   2           HB1      ASP   2  30.687  10.470  10.470
   12    H    LEU   3           HN       LEU   3  32.920   7.109   7.109
   13    HA   LEU   3           HA       LEU   3  31.843   5.023   5.023
   14   1HB   LEU   3           HB2      LEU   3  33.983   4.852   4.852
   15   2HB   LEU   3           HB1      LEU   3  33.681   3.649   3.649
   16    HG   LEU   3           HG       LEU   3  33.964   6.307   6.307
   17   1HD1  LEU   3          HD13      LEU   3  35.640   5.814   5.814
   18   2HD1  LEU   3          HD12      LEU   3  36.639   5.571   5.571
   19   3HD1  LEU   3          HD11      LEU   3  35.798   7.102   7.102
   20   1HD2  LEU   3          HD22      LEU   3  34.148   4.063   4.063
   21   2HD2  LEU   3          HD21      LEU   3  35.499   5.150   5.150
   22   3HD2  LEU   3          HD23      LEU   3  35.684   3.831   3.831
   23    H    ALA   4           HN       ALA   4  30.904   6.079   6.079
   24    HA   ALA   4           HA       ALA   4  30.359   3.613   3.613
   25   1HB   ALA   4           HB3      ALA   4  29.972   6.333   6.333
   26   2HB   ALA   4           HB2      ALA   4  28.342   5.665   5.665
   27   3HB   ALA   4           HB1      ALA   4  29.514   4.983   4.983
   28    H    ASN   5           HN       ASN   5  28.893   5.459   5.459
   29    HA   ASN   5           HA       ASN   5  26.367   4.025   4.025
   30   1HB   ASN   5           HB2      ASN   5  27.564   6.282   6.282
   31   2HB   ASN   5           HB1      ASN   5  27.131   5.166   5.166
   32   1HD2  ASN   5          HD22      ASN   5  23.979   6.162   6.162
   33   2HD2  ASN   5          HD21      ASN   5  25.467   5.699   5.699
   34    H    GLY   6           HN       GLY   6  29.568   3.672   3.672
   35   1HA   GLY   6           HA2      GLY   6  29.016   1.785   1.785
   36   2HA   GLY   6           HA1      GLY   6  30.551   1.916   1.916
   37    H    ALA   7           HN       ALA   7  30.186   1.137   1.137
   38    HA   ALA   7           HA       ALA   7  29.859  -1.642  -1.642
   39   1HB   ALA   7           HB3      ALA   7  30.257   0.380   0.380
   40   2HB   ALA   7           HB2      ALA   7  29.047  -0.770  -0.770
   41   3HB   ALA   7           HB1      ALA   7  30.643  -1.341  -1.341
   42    H    LYS   8           HN       LYS   8  27.429   0.872   0.872
   43    HA   LYS   8           HA       LYS   8  25.336  -0.760  -0.760
   44   1HB   LYS   8           HB2      LYS   8  24.900   1.568   1.568
   45   2HB   LYS   8           HB1      LYS   8  25.346   1.740   1.740
   46   1HG   LYS   8           HG2      LYS   8  23.133  -0.154  -0.154
   47   2HG   LYS   8           HG1      LYS   8  22.763   1.521   1.521
   48   1HD   LYS   8           HD2      LYS   8  23.704   0.434   0.434
   49   2HD   LYS   8           HD1      LYS   8  22.154   1.191   1.191
   50   1HE   LYS   8           HE2      LYS   8  24.869   2.462   2.462
   51   2HE   LYS   8           HE1      LYS   8  23.363   2.923   2.923
   52   1HZ   LYS   8           HZ2      LYS   8  22.679   3.189   3.189
   53   2HZ   LYS   8           HZ1      LYS   8  24.330   3.582   3.582
   54   3HZ   LYS   8           HZ3      LYS   8  23.309   4.456   4.456
   55    H    VAL   9           HN       VAL   9  26.393  -0.040  -0.040
   56    HA   VAL   9           HA       VAL   9  24.375  -1.770  -1.770
   57    HB   VAL   9           HB       VAL   9  26.755  -0.218  -0.218
   58   1HG1  VAL   9          HG11      VAL   9  26.773  -2.432  -2.432
   59   2HG1  VAL   9          HG13      VAL   9  25.116  -2.129  -2.129
   60   3HG1  VAL   9          HG12      VAL   9  26.421  -1.082  -1.082
   61   1HG2  VAL   9          HG21      VAL   9  23.758  -0.221  -0.221
   62   2HG2  VAL   9          HG23      VAL   9  24.834   1.140   1.140
   63   3HG2  VAL   9          HG22      VAL   9  24.714   0.458   0.458
   64    H    PHE  10           HN       PHE  10  27.931  -2.007  -2.007
   65    HA   PHE  10           HA       PHE  10  28.176  -4.593  -4.593
   66   1HB   PHE  10           HB2      PHE  10  30.136  -3.253  -3.253
   67   2HB   PHE  10           HB1      PHE  10  29.795  -3.171  -3.171
   68    HD1  PHE  10           HD1      PHE  10  29.646  -5.401  -5.401
   69    HD2  PHE  10           HD2      PHE  10  31.520  -4.994  -4.994
   70    HE1  PHE  10           HE1      PHE  10  30.888  -7.492  -7.492
   71    HE2  PHE  10           HE2      PHE  10  32.766  -7.102  -7.102
   72    HZ   PHE  10           HZ       PHE  10  32.454  -8.352  -8.352
   73    H    SER  11           HN       SER  11  26.967  -3.541  -3.541
   74    HA   SER  11           HA       SER  11  27.173  -6.213  -6.213
   75   1HB   SER  11           HB2      SER  11  26.355  -5.208  -5.208
   76   2HB   SER  11           HB1      SER  11  27.384  -3.976  -3.976
   77    HG   SER  11           HG       SER  11  24.886  -3.724  -3.724
   78    H    GLY  12           HN       GLY  12  25.434  -5.481  -5.481
   79   1HA   GLY  12           HA2      GLY  12  23.107  -6.994  -6.994
   80   2HA   GLY  12           HA1      GLY  12  22.772  -5.399  -5.399
   81    H    ASN  13           HN       ASN  13  25.469  -6.657  -6.657
   82    HA   ASN  13           HA       ASN  13  23.888  -8.195  -8.195
   83   1HB   ASN  13           HB2      ASN  13  25.550  -5.807  -5.807
   84   2HB   ASN  13           HB1      ASN  13  24.509  -6.804  -6.804
   85   1HD2  ASN  13          HD22      ASN  13  22.904  -3.721  -3.721
   86   2HD2  ASN  13          HD21      ASN  13  24.584  -4.010  -4.010
   87    H    CYS  14           HN       CYS  14  27.079  -6.764  -6.764
   88    HA   CYS  14           HA       CYS  14  28.483  -8.889  -8.889
   89   1HB   CYS  14           HB2      CYS  14  29.859  -7.167  -7.167
   90   2HB   CYS  14           HB1      CYS  14  30.424  -7.696  -7.696
   91    H    ALA  15           HN       ALA  15  27.481  -8.207  -8.207
   92    HA   ALA  15           HA       ALA  15  29.087  -9.844  -9.844
   93   1HB   ALA  15           HB2      ALA  15  26.094  -9.433  -9.433
   94   2HB   ALA  15           HB1      ALA  15  27.025 -10.236 -10.236
   95   3HB   ALA  15           HB3      ALA  15  27.336  -8.543  -8.543
   96    H    ALA  16           HN       ALA  16  26.390 -10.859 -10.859
   97    HA   ALA  16           HA       ALA  16  26.269 -13.575 -13.575
   98   1HB   ALA  16           HB2      ALA  16  25.079 -11.992 -11.992
   99   2HB   ALA  16           HB1      ALA  16  25.952 -13.219 -13.219
  100   3HB   ALA  16           HB3      ALA  16  24.759 -13.702 -13.702
  101    H    CYS  17           HN       CYS  17  28.366 -12.005 -12.005
  102    HA   CYS  17           HA       CYS  17  29.934 -14.536 -14.536
  103   1HB   CYS  17           HB2      CYS  17  29.734 -12.337 -12.337
  104   2HB   CYS  17           HB1      CYS  17  30.674 -13.811 -13.811
  105    H    HIS  18           HN       HIS  18  30.271 -12.411 -12.411
  106    HA   HIS  18           HA       HIS  18  33.146 -12.073 -12.073
  107   1HB   HIS  18           HB2      HIS  18  31.245  -9.746  -9.746
  108   2HB   HIS  18           HB1      HIS  18  32.888  -9.515  -9.515
  109    HD1  HIS  18           HD1      HIS  18  34.833 -10.347 -10.347
  110    HD2  HIS  18           HD2      HIS  18  31.114 -10.058 -10.058
  111    HE1  HIS  18           HE1      HIS  18  35.259 -10.417 -10.417
  112    H    MET  19           HN       MET  19  30.789 -10.025 -10.025
  113    HA   MET  19           HA       MET  19  30.503  -9.533  -9.533
  114   1HB   MET  19           HB2      MET  19  30.198 -12.299 -12.299
  115   2HB   MET  19           HB1      MET  19  31.099 -12.088 -12.088
  116   1HG   MET  19           HG2      MET  19  28.925 -10.163 -10.163
  117   2HG   MET  19           HG1      MET  19  28.337 -11.828 -11.828
  118   1HE   MET  19           HE2      MET  19  28.775 -13.500 -13.500
  119   2HE   MET  19           HE1      MET  19  29.909 -13.627 -13.627
  120   3HE   MET  19           HE3      MET  19  28.205 -13.273 -13.273
  121    H    GLY  20           HN       GLY  20  32.005  -8.328  -8.328
  122   1HA   GLY  20           HA2      GLY  20  34.057  -7.724  -7.724
  123   2HA   GLY  20           HA1      GLY  20  34.025  -9.361  -9.361
  124    H    GLY  21           HN       GLY  21  34.483  -7.965  -7.965
  125   1HA   GLY  21           HA2      GLY  21  35.959  -8.659  -8.659
  126   2HA   GLY  21           HA1      GLY  21  37.156  -8.374  -8.374
  127    H    GLY  22           HN       GLY  22  35.058 -10.857 -10.857
  128   1HA   GLY  22           HA2      GLY  22  37.109 -12.880 -12.880
  129   2HA   GLY  22           HA1      GLY  22  35.733 -13.110 -13.110
  130    H    ASN  23           HN       ASN  23  36.852 -13.338 -13.338
  131    HA   ASN  23           HA       ASN  23  34.383 -13.608 -13.608
  132   1HB   ASN  23           HB2      ASN  23  37.018 -13.725 -13.725
  133   2HB   ASN  23           HB1      ASN  23  36.558 -15.425 -15.425
  134   1HD2  ASN  23          HD22      ASN  23  35.063 -12.705 -12.705
  135   2HD2  ASN  23          HD21      ASN  23  35.993 -12.192 -12.192
  136    H    VAL  24           HN       VAL  24  33.151 -15.508 -15.508
  137    HA   VAL  24           HA       VAL  24  33.654 -17.798 -17.798
  138    HB   VAL  24           HB       VAL  24  31.324 -18.067 -18.067
  139   1HG1  VAL  24          HG12      VAL  24  32.047 -15.134 -15.134
  140   2HG1  VAL  24          HG11      VAL  24  30.512 -15.696 -15.696
  141   3HG1  VAL  24          HG13      VAL  24  32.028 -16.170 -16.170
  142   1HG2  VAL  24          HG21      VAL  24  30.957 -16.181 -16.181
  143   2HG2  VAL  24          HG23      VAL  24  30.641 -17.917 -17.917
  144   3HG2  VAL  24          HG22      VAL  24  29.647 -16.840 -16.840
  145    H    VAL  25           HN       VAL  25  33.337 -16.797 -16.797
  146    HA   VAL  25           HA       VAL  25  32.766 -19.575 -19.575
  147    HB   VAL  25           HB       VAL  25  33.026 -17.093 -17.093
  148   1HG1  VAL  25          HG13      VAL  25  32.401 -19.925 -19.925
  149   2HG1  VAL  25          HG12      VAL  25  31.176 -18.847 -18.847
  150   3HG1  VAL  25          HG11      VAL  25  32.859 -18.692 -18.692
  151   1HG2  VAL  25          HG21      VAL  25  30.749 -18.119 -18.119
  152   2HG2  VAL  25          HG23      VAL  25  31.244 -16.455 -16.455
  153   3HG2  VAL  25          HG22      VAL  25  30.398 -17.368 -17.368
  154    H    MET  26           HN       MET  26  34.902 -16.955 -16.955
  155    HA   MET  26           HA       MET  26  36.833 -18.912 -18.912
  156   1HB   MET  26           HB2      MET  26  36.528 -15.958 -15.958
  157   2HB   MET  26           HB1      MET  26  38.182 -16.574 -16.574
  158   1HG   MET  26           HG2      MET  26  35.925 -17.546 -17.546
  159   2HG   MET  26           HG1      MET  26  37.075 -16.296 -16.296
  160   1HE   MET  26           HE3      MET  26  36.963 -17.885 -17.885
  161   2HE   MET  26           HE2      MET  26  38.689 -17.550 -17.550
  162   3HE   MET  26           HE1      MET  26  38.109 -19.209 -19.209
  163    H    ALA  27           HN       ALA  27  38.790 -19.471 -19.471
  164    HA   ALA  27           HA       ALA  27  39.154 -18.611 -18.611
  165   1HB   ALA  27           HB2      ALA  27  39.358 -21.116 -21.116
  166   2HB   ALA  27           HB1      ALA  27  41.000 -20.661 -20.661
  167   3HB   ALA  27           HB3      ALA  27  39.738 -20.755 -20.755
  168    H    ASN  28           HN       ASN  28  39.914 -16.526 -16.526
  169    HA   ASN  28           HA       ASN  28  42.692 -16.239 -16.239
  170   1HB   ASN  28           HB2      ASN  28  43.597 -16.229 -16.229
  171   2HB   ASN  28           HB1      ASN  28  42.725 -17.754 -17.754
  172   1HD2  ASN  28          HD22      ASN  28  40.018 -16.720 -16.720
  173   2HD2  ASN  28          HD21      ASN  28  40.326 -17.644 -17.644
  174    H    LYS  29           HN       LYS  29  39.987 -15.157 -15.157
  175    HA   LYS  29           HA       LYS  29  40.965 -12.398 -12.398
  176   1HB   LYS  29           HB2      LYS  29  38.791 -13.915 -13.915
  177   2HB   LYS  29           HB1      LYS  29  38.333 -12.276 -12.276
  178   1HG   LYS  29           HG2      LYS  29  39.702 -11.327 -11.327
  179   2HG   LYS  29           HG1      LYS  29  40.996 -12.486 -12.486
  180   1HD   LYS  29           HD2      LYS  29  39.737 -14.192 -14.192
  181   2HD   LYS  29           HD1      LYS  29  38.490 -12.992 -12.992
  182   1HE   LYS  29           HE2      LYS  29  39.704 -12.133 -12.133
  183   2HE   LYS  29           HE1      LYS  29  41.101 -11.921 -11.921
  184   1HZ   LYS  29           HZ1      LYS  29  40.687 -14.662 -14.662
  185   2HZ   LYS  29           HZ3      LYS  29  40.840 -13.742 -13.742
  186   3HZ   LYS  29           HZ2      LYS  29  42.066 -13.701 -13.701
  187    H    THR  30           HN       THR  30  41.049 -12.327 -12.327
  188    HA   THR  30           HA       THR  30  38.432 -12.137 -12.137
  189    HB   THR  30           HB       THR  30  41.094 -11.485 -11.485
  190    HG1  THR  30           HG1      THR  30  39.960 -14.059 -14.059
  191   1HG2  THR  30          HG22      THR  30  38.346 -12.160 -12.160
  192   2HG2  THR  30          HG21      THR  30  39.640 -12.931 -12.931
  193   3HG2  THR  30          HG23      THR  30  39.569 -11.172 -11.172
  194    H    LEU  31           HN       LEU  31  38.297 -10.163 -10.163
  195    HA   LEU  31           HA       LEU  31  38.683  -7.687  -7.687
  196   1HB   LEU  31           HB2      LEU  31  36.875  -8.500  -8.500
  197   2HB   LEU  31           HB1      LEU  31  37.126  -6.793  -6.793
  198    HG   LEU  31           HG       LEU  31  35.280  -8.547  -8.547
  199   1HD1  LEU  31          HD13      LEU  31  35.703  -5.849  -5.849
  200   2HD1  LEU  31          HD12      LEU  31  35.885  -6.152  -6.152
  201   3HD1  LEU  31          HD11      LEU  31  34.398  -6.620  -6.620
  202   1HD2  LEU  31          HD22      LEU  31  37.157  -9.420  -9.420
  203   2HD2  LEU  31          HD21      LEU  31  35.875  -8.657  -8.657
  204   3HD2  LEU  31          HD23      LEU  31  37.380  -7.791  -7.791
  205    H    LYS  32           HN       LYS  32  39.784  -9.323  -9.323
  206    HA   LYS  32           HA       LYS  32  40.370  -7.328  -7.328
  207   1HB   LYS  32           HB2      LYS  32  41.764  -9.875  -9.875
  208   2HB   LYS  32           HB1      LYS  32  42.550  -8.775  -8.775
  209   1HG   LYS  32           HG2      LYS  32  40.984  -9.133  -9.133
  210   2HG   LYS  32           HG1      LYS  32  39.662  -9.264  -9.264
  211   1HD   LYS  32           HD2      LYS  32  40.198 -11.423 -11.423
  212   2HD   LYS  32           HD1      LYS  32  40.310 -11.526 -11.526
  213   1HE   LYS  32           HE2      LYS  32  42.787 -10.728 -10.728
  214   2HE   LYS  32           HE1      LYS  32  42.270 -12.403 -12.403
  215   1HZ   LYS  32           HZ3      LYS  32  41.959 -11.852 -11.852
  216   2HZ   LYS  32           HZ2      LYS  32  43.444 -11.139 -11.139
  217   3HZ   LYS  32           HZ1      LYS  32  43.182 -12.792 -12.792
  218    H    LYS  33           HN       LYS  33  43.148  -8.481  -8.481
  219    HA   LYS  33           HA       LYS  33  43.722  -5.779  -5.779
  220   1HB   LYS  33           HB2      LYS  33  45.687  -5.356  -5.356
  221   2HB   LYS  33           HB1      LYS  33  44.362  -5.696  -5.696
  222   1HG   LYS  33           HG2      LYS  33  45.137  -8.085  -8.085
  223   2HG   LYS  33           HG1      LYS  33  46.540  -7.614  -7.614
  224   1HD   LYS  33           HD2      LYS  33  45.951  -6.006  -6.006
  225   2HD   LYS  33           HD1      LYS  33  46.615  -7.625  -7.625
  226   1HE   LYS  33           HE2      LYS  33  48.634  -6.643  -6.643
  227   2HE   LYS  33           HE1      LYS  33  48.183  -6.633  -6.633
  228   1HZ   LYS  33           HZ2      LYS  33  46.957  -4.452  -4.452
  229   2HZ   LYS  33           HZ1      LYS  33  48.598  -4.445  -4.445
  230   3HZ   LYS  33           HZ3      LYS  33  48.164  -4.435  -4.435
  231    H    GLU  34           HN       GLU  34  45.188  -8.933  -8.933
  232    HA   GLU  34           HA       GLU  34  47.285  -8.796  -8.796
  233   1HB   GLU  34           HB2      GLU  34  45.828 -11.184 -11.184
  234   2HB   GLU  34           HB1      GLU  34  47.303 -11.301 -11.301
  235   1HG   GLU  34           HG2      GLU  34  47.427  -9.349  -9.349
  236   2HG   GLU  34           HG1      GLU  34  47.264 -11.033 -11.033
  237    H    ALA  35           HN       ALA  35  43.930  -9.160  -9.160
  238    HA   ALA  35           HA       ALA  35  44.452 -10.362 -10.362
  239   1HB   ALA  35           HB3      ALA  35  42.218 -10.474 -10.474
  240   2HB   ALA  35           HB2      ALA  35  41.724 -10.235 -10.235
  241   3HB   ALA  35           HB1      ALA  35  42.703 -11.635 -11.635
  242    H    LEU  36           HN       LEU  36  42.688  -7.660  -7.660
  243    HA   LEU  36           HA       LEU  36  41.828  -6.495  -6.495
  244   1HB   LEU  36           HB2      LEU  36  41.793  -4.326  -4.326
  245   2HB   LEU  36           HB1      LEU  36  40.788  -5.655  -5.655
  246    HG   LEU  36           HG       LEU  36  43.565  -5.594  -5.594
  247   1HD1  LEU  36          HD12      LEU  36  42.478  -3.176  -3.176
  248   2HD1  LEU  36          HD11      LEU  36  41.550  -3.798  -3.798
  249   3HD1  LEU  36          HD13      LEU  36  43.309  -3.744  -3.744
  250   1HD2  LEU  36          HD22      LEU  36  40.915  -6.617  -6.617
  251   2HD2  LEU  36          HD21      LEU  36  42.487  -7.131  -7.131
  252   3HD2  LEU  36          HD23      LEU  36  41.646  -5.780  -5.780
  253    H    GLU  37           HN       GLU  37  44.844  -6.262  -6.262
  254    HA   GLU  37           HA       GLU  37  45.869  -4.248  -4.248
  255   1HB   GLU  37           HB2      GLU  37  47.431  -5.659  -5.659
  256   2HB   GLU  37           HB1      GLU  37  47.710  -4.052  -4.052
  257   1HG   GLU  37           HG2      GLU  37  45.044  -4.036  -4.036
  258   2HG   GLU  37           HG1      GLU  37  45.985  -4.824  -4.824
  259    H    GLN  38           HN       GLN  38  45.518  -7.544  -7.544
  260    HA   GLN  38           HA       GLN  38  48.031  -8.333  -8.333
  261   1HB   GLN  38           HB2      GLN  38  46.020  -9.674  -9.674
  262   2HB   GLN  38           HB1      GLN  38  45.503  -9.832  -9.832
  263   1HG   GLN  38           HG2      GLN  38  47.830 -11.012 -11.012
  264   2HG   GLN  38           HG1      GLN  38  46.834 -11.665 -11.665
  265   1HE2  GLN  38          HE22      GLN  38  50.189  -9.504  -9.504
  266   2HE2  GLN  38          HE21      GLN  38  49.622  -9.580  -9.580
  267    H    PHE  39           HN       PHE  39  44.732  -8.137  -8.137
  268    HA   PHE  39           HA       PHE  39  45.686  -7.928  -7.928
  269   1HB   PHE  39           HB2      PHE  39  43.018  -7.673  -7.673
  270   2HB   PHE  39           HB1      PHE  39  43.830  -9.228  -9.228
  271    HD1  PHE  39           HD1      PHE  39  41.985  -6.620  -6.620
  272    HD2  PHE  39           HD2      PHE  39  43.511 -10.635 -10.635
  273    HE1  PHE  39           HE1      PHE  39  40.704  -7.136  -7.136
  274    HE2  PHE  39           HE2      PHE  39  42.227 -11.147 -11.147
  275    HZ   PHE  39           HZ       PHE  39  40.822  -9.396  -9.396
  276    H    GLY  40           HN       GLY  40  43.650  -5.919  -5.919
  277   1HA   GLY  40           HA2      GLY  40  44.650  -3.485  -3.485
  278   2HA   GLY  40           HA1      GLY  40  44.169  -3.657  -3.657
  279    H    MET  41           HN       MET  41  42.138  -5.070  -5.070
  280    HA   MET  41           HA       MET  41  39.925  -3.380  -3.380
  281   1HB   MET  41           HB2      MET  41  38.561  -4.692  -4.692
  282   2HB   MET  41           HB1      MET  41  39.831  -5.819  -5.819
  283   1HG   MET  41           HG2      MET  41  39.887  -6.134  -6.134
  284   2HG   MET  41           HG1      MET  41  41.025  -4.796  -4.796
  285   1HE   MET  41           HE3      MET  41  38.888  -6.308  -6.308
  286   2HE   MET  41           HE2      MET  41  38.924  -5.103  -5.103
  287   3HE   MET  41           HE1      MET  41  37.420  -5.416  -5.416
  288    H    TYR  42           HN       TYR  42  42.399  -3.235  -3.235
  289    HA   TYR  42           HA       TYR  42  41.368  -1.753  -1.753
  290   1HB   TYR  42           HB2      TYR  42  43.790  -2.521  -2.521
  291   2HB   TYR  42           HB1      TYR  42  43.969  -1.010  -1.010
  292    HD1  TYR  42           HD1      TYR  42  43.161   1.167   1.167
  293    HD2  TYR  42           HD2      TYR  42  44.234  -2.532  -2.532
  294    HE1  TYR  42           HE1      TYR  42  43.547   2.370   2.370
  295    HE2  TYR  42           HE2      TYR  42  44.619  -1.334  -1.334
  296    HH   TYR  42           HH       TYR  42  44.634   2.150   2.150
  297    H    SER  43           HN       SER  43  41.679  -0.787  -0.787
  298    HA   SER  43           HA       SER  43  41.350   2.069   2.069
  299   1HB   SER  43           HB2      SER  43  41.689   2.479   2.479
  300   2HB   SER  43           HB1      SER  43  42.791   1.156   1.156
  301    HG   SER  43           HG       SER  43  41.695   0.572   0.572
  302    H    GLU  44           HN       GLU  44  39.419   3.067   3.067
  303    HA   GLU  44           HA       GLU  44  36.933   1.882   1.882
  304   1HB   GLU  44           HB2      GLU  44  37.868   4.612   4.612
  305   2HB   GLU  44           HB1      GLU  44  36.178   4.205   4.205
  306   1HG   GLU  44           HG2      GLU  44  35.680   4.277   4.277
  307   2HG   GLU  44           HG1      GLU  44  37.120   3.356   3.356
  308    H    ASP  45           HN       ASP  45  38.115   3.558   3.558
  309    HA   ASP  45           HA       ASP  45  36.140   2.710   2.710
  310   1HB   ASP  45           HB2      ASP  45  38.054   4.280   4.280
  311   2HB   ASP  45           HB1      ASP  45  39.022   2.839   2.839
  312    H    ALA  46           HN       ALA  46  38.963   0.859   0.859
  313    HA   ALA  46           HA       ALA  46  38.722  -1.285  -1.285
  314   1HB   ALA  46           HB1      ALA  46  39.829  -1.155  -1.155
  315   2HB   ALA  46           HB3      ALA  46  39.892  -2.622  -2.622
  316   3HB   ALA  46           HB2      ALA  46  40.725  -1.167  -1.167
  317    H    ILE  47           HN       ILE  47  38.000  -1.750  -1.750
  318    HA   ILE  47           HA       ILE  47  36.227  -3.911  -3.911
  319    HB   ILE  47           HB       ILE  47  37.320  -3.314  -3.314
  320   1HG1  ILE  47          HG12      ILE  47  34.299  -3.514  -3.514
  321   2HG1  ILE  47          HG11      ILE  47  35.442  -4.848  -4.848
  322   1HG2  ILE  47          HG23      ILE  47  36.904  -0.868  -0.868
  323   2HG2  ILE  47          HG22      ILE  47  35.189  -1.176  -1.176
  324   3HG2  ILE  47          HG21      ILE  47  36.371  -1.556  -1.556
  325   1HD1  ILE  47          HD12      ILE  47  36.294  -3.918  -3.918
  326   2HD1  ILE  47          HD11      ILE  47  35.100  -2.626  -2.626
  327   3HD1  ILE  47          HD13      ILE  47  34.574  -4.292  -4.292
  328    H    ILE  48           HN       ILE  48  35.750  -0.576  -0.576
  329    HA   ILE  48           HA       ILE  48  32.901  -0.490  -0.490
  330    HB   ILE  48           HB       ILE  48  34.893   1.314   1.314
  331   1HG1  ILE  48          HG12      ILE  48  32.851   1.749   1.749
  332   2HG1  ILE  48          HG11      ILE  48  34.537   1.326   1.326
  333   1HG2  ILE  48          HG22      ILE  48  31.904   1.362   1.362
  334   2HG2  ILE  48          HG21      ILE  48  32.817   2.871   2.871
  335   3HG2  ILE  48          HG23      ILE  48  33.134   1.678   1.678
  336   1HD1  ILE  48          HD13      ILE  48  35.159   3.388   3.388
  337   2HD1  ILE  48          HD12      ILE  48  33.454   3.837   3.837
  338   3HD1  ILE  48          HD11      ILE  48  34.382   3.717   3.717
  339    H    TYR  49           HN       TYR  49  34.961  -1.141  -1.141
  340    HA   TYR  49           HA       TYR  49  32.633  -1.499  -1.499
  341   1HB   TYR  49           HB2      TYR  49  34.747  -0.665  -0.665
  342   2HB   TYR  49           HB1      TYR  49  35.571  -2.134  -2.134
  343    HD1  TYR  49           HD1      TYR  49  34.833  -4.366  -4.366
  344    HD2  TYR  49           HD2      TYR  49  33.407  -0.640  -0.640
  345    HE1  TYR  49           HE1      TYR  49  34.048  -5.535  -5.535
  346    HE2  TYR  49           HE2      TYR  49  32.622  -1.805  -1.805
  347    HH   TYR  49           HH       TYR  49  33.459  -4.196  -4.196
  348    H    GLN  50           HN       GLN  50  34.497  -3.303  -3.303
  349    HA   GLN  50           HA       GLN  50  33.729  -5.917  -5.917
  350   1HB   GLN  50           HB2      GLN  50  35.838  -6.167  -6.167
  351   2HB   GLN  50           HB1      GLN  50  35.586  -4.917  -4.917
  352   1HG   GLN  50           HG2      GLN  50  35.673  -6.823  -6.823
  353   2HG   GLN  50           HG1      GLN  50  33.935  -6.680  -6.680
  354   1HE2  GLN  50          HE22      GLN  50  35.808  -9.437  -9.437
  355   2HE2  GLN  50          HE21      GLN  50  36.491  -7.896  -7.896
  356    H    VAL  51           HN       VAL  51  32.428  -3.534  -3.534
  357    HA   VAL  51           HA       VAL  51  30.772  -5.449  -5.449
  358    HB   VAL  51           HB       VAL  51  31.083  -2.439  -2.439
  359   1HG1  VAL  51          HG12      VAL  51  29.095  -4.313  -4.313
  360   2HG1  VAL  51          HG11      VAL  51  29.732  -3.043  -3.043
  361   3HG1  VAL  51          HG13      VAL  51  28.912  -2.620  -2.620
  362   1HG2  VAL  51          HG23      VAL  51  32.752  -4.342  -4.342
  363   2HG2  VAL  51          HG22      VAL  51  32.483  -2.794  -2.794
  364   3HG2  VAL  51          HG21      VAL  51  31.605  -4.227  -4.227
  365    H    GLN  52           HN       GLN  52  30.397  -2.591  -2.591
  366    HA   GLN  52           HA       GLN  52  27.586  -2.623  -2.623
  367   1HB   GLN  52           HB2      GLN  52  29.805  -1.340  -1.340
  368   2HB   GLN  52           HB1      GLN  52  28.596  -1.799  -1.799
  369   1HG   GLN  52           HG2      GLN  52  27.043  -0.335  -0.335
  370   2HG   GLN  52           HG1      GLN  52  27.524  -0.614  -0.614
  371   1HE2  GLN  52          HE22      GLN  52  30.271   1.797   1.797
  372   2HE2  GLN  52          HE21      GLN  52  30.017   0.199   0.199
  373    H    HIS  53           HN       HIS  53  29.841  -4.886  -4.886
  374    HA   HIS  53           HA       HIS  53  27.726  -6.176  -6.176
  375   1HB   HIS  53           HB2      HIS  53  30.423  -6.224  -6.224
  376   2HB   HIS  53           HB1      HIS  53  28.893  -6.185  -6.185
  377    HD1  HIS  53           HD1      HIS  53  28.534  -4.008  -4.008
  378    HD2  HIS  53           HD2      HIS  53  30.788  -3.493  -3.493
  379    HE1  HIS  53           HE1      HIS  53  29.069  -1.535  -1.535
  380    H    GLY  54           HN       GLY  54  29.517  -6.451  -6.451
  381   1HA   GLY  54           HA2      GLY  54  30.643  -8.238  -8.238
  382   2HA   GLY  54           HA1      GLY  54  29.643  -9.258  -9.258
  383    H    LYS  55           HN       LYS  55  30.796 -10.492 -10.492
  384    HA   LYS  55           HA       LYS  55  32.489  -9.880  -9.880
  385   1HB   LYS  55           HB2      LYS  55  33.783  -9.409  -9.409
  386   2HB   LYS  55           HB1      LYS  55  34.666 -10.638 -10.638
  387   1HG   LYS  55           HG2      LYS  55  34.403  -7.742  -7.742
  388   2HG   LYS  55           HG1      LYS  55  35.699  -8.864  -8.864
  389   1HD   LYS  55           HD2      LYS  55  34.031  -9.769  -9.769
  390   2HD   LYS  55           HD1      LYS  55  33.173  -8.243  -8.243
  391   1HE   LYS  55           HE2      LYS  55  34.770  -7.988  -7.988
  392   2HE   LYS  55           HE1      LYS  55  35.298  -7.020  -7.020
  393   1HZ   LYS  55           HZ1      LYS  55  36.259  -9.783  -9.783
  394   2HZ   LYS  55           HZ3      LYS  55  36.964  -8.572  -8.572
  395   3HZ   LYS  55           HZ2      LYS  55  37.005  -8.447  -8.447
  396    H    ASN  56           HN       ASN  56  34.571 -11.750 -11.750
  397    HA   ASN  56           HA       ASN  56  33.934 -14.010 -14.010
  398   1HB   ASN  56           HB2      ASN  56  35.428 -13.999 -13.999
  399   2HB   ASN  56           HB1      ASN  56  35.482 -15.299 -15.299
  400   1HD2  ASN  56          HD22      ASN  56  37.664 -11.916 -11.916
  401   2HD2  ASN  56          HD21      ASN  56  36.651 -12.075 -12.075
  402    H    ALA  57           HN       ALA  57  33.175 -13.621 -13.621
  403    HA   ALA  57           HA       ALA  57  30.853 -15.415 -15.415
  404   1HB   ALA  57           HB2      ALA  57  33.270 -16.059 -16.059
  405   2HB   ALA  57           HB1      ALA  57  31.694 -16.516 -16.516
  406   3HB   ALA  57           HB3      ALA  57  32.219 -17.135 -17.135
  407    H    MET  58           HN       MET  58  31.586 -12.531 -12.531
  408    HA   MET  58           HA       MET  58  30.282 -12.456 -12.456
  409   1HB   MET  58           HB2      MET  58  32.388 -11.251 -11.251
  410   2HB   MET  58           HB1      MET  58  31.812 -10.351 -10.351
  411   1HG   MET  58           HG2      MET  58  29.981  -9.413  -9.413
  412   2HG   MET  58           HG1      MET  58  30.736 -10.214 -10.214
  413   1HE   MET  58           HE2      MET  58  30.478  -7.891  -7.891
  414   2HE   MET  58           HE1      MET  58  31.449  -6.478  -6.478
  415   3HE   MET  58           HE3      MET  58  30.124  -6.989  -6.989
  416    HA   PRO  59           HA       PRO  59  26.552 -11.114 -11.114
  417   1HB   PRO  59           HB2      PRO  59  25.341 -10.132 -10.132
  418   2HB   PRO  59           HB1      PRO  59  25.471 -11.855 -11.855
  419   1HG   PRO  59           HG2      PRO  59  26.947 -10.240 -10.240
  420   2HG   PRO  59           HG1      PRO  59  26.633 -11.979 -11.979
  421   1HD   PRO  59           HD2      PRO  59  29.053 -10.688 -10.688
  422   2HD   PRO  59           HD1      PRO  59  28.671 -12.397 -12.397
  423    H    ALA  60           HN       ALA  60  26.620  -9.323  -9.323
  424    HA   ALA  60           HA       ALA  60  27.630  -6.808  -6.808
  425   1HB   ALA  60           HB2      ALA  60  26.382  -7.606  -7.606
  426   2HB   ALA  60           HB1      ALA  60  24.874  -7.424  -7.424
  427   3HB   ALA  60           HB3      ALA  60  25.847  -6.004  -6.004
  428    H    PHE  61           HN       PHE  61  26.643  -4.733  -4.733
  429    HA   PHE  61           HA       PHE  61  24.497  -4.925  -4.925
  430   1HB   PHE  61           HB2      PHE  61  27.302  -4.011  -4.011
  431   2HB   PHE  61           HB1      PHE  61  25.966  -3.307  -3.307
  432    HD1  PHE  61           HD1      PHE  61  24.391  -4.839  -4.839
  433    HD2  PHE  61           HD2      PHE  61  28.096  -6.205  -6.205
  434    HE1  PHE  61           HE1      PHE  61  24.303  -6.859  -6.859
  435    HE2  PHE  61           HE2      PHE  61  28.014  -8.219  -8.219
  436    HZ   PHE  61           HZ       PHE  61  26.119  -8.548  -8.548
  437    H    ALA  62           HN       ALA  62  25.237  -3.733  -3.733
  438    HA   ALA  62           HA       ALA  62  25.345  -0.962  -0.962
  439   1HB   ALA  62           HB2      ALA  62  23.837  -2.858  -2.858
  440   2HB   ALA  62           HB1      ALA  62  23.869  -1.118  -1.118
  441   3HB   ALA  62           HB3      ALA  62  25.370  -2.044  -2.044
  442    H    GLY  63           HN       GLY  63  22.742  -3.024  -3.024
  443   1HA   GLY  63           HA2      GLY  63  21.314  -0.646  -0.646
  444   2HA   GLY  63           HA1      GLY  63  20.426  -1.613  -1.613
  445    H    ARG  64           HN       ARG  64  22.661  -2.988  -2.988
  446    HA   ARG  64           HA       ARG  64  20.357  -4.426  -4.426
  447   1HB   ARG  64           HB2      ARG  64  23.147  -5.092  -5.092
  448   2HB   ARG  64           HB1      ARG  64  22.662  -5.503  -5.503
  449   1HG   ARG  64           HG2      ARG  64  20.571  -6.554  -6.554
  450   2HG   ARG  64           HG1      ARG  64  21.501  -6.480  -6.480
  451   1HD   ARG  64           HD2      ARG  64  23.166  -7.916  -7.916
  452   2HD   ARG  64           HD1      ARG  64  22.722  -7.622  -7.622
  453    HE   ARG  64           HE       ARG  64  21.704  -9.751  -9.751
  454   1HH1  ARG  64          HH21      ARG  64  19.189  -8.922  -8.922
  455   2HH1  ARG  64          HH22      ARG  64  18.314  -8.905  -8.905
  456   1HH2  ARG  64          HH11      ARG  64  21.165  -8.946  -8.946
  457   2HH2  ARG  64          HH12      ARG  64  19.433  -8.918  -8.918
  458    H    LEU  65           HN       LEU  65  23.511  -3.024  -3.024
  459    HA   LEU  65           HA       LEU  65  22.970  -2.656  -2.656
  460   1HB   LEU  65           HB2      LEU  65  24.822  -1.036  -1.036
  461   2HB   LEU  65           HB1      LEU  65  24.914  -1.187  -1.187
  462    HG   LEU  65           HG       LEU  65  25.417  -3.326  -3.326
  463   1HD1  LEU  65          HD12      LEU  65  27.049  -1.574  -1.574
  464   2HD1  LEU  65          HD11      LEU  65  27.326  -3.231  -3.231
  465   3HD1  LEU  65          HD13      LEU  65  27.564  -2.801  -2.801
  466   1HD2  LEU  65          HD23      LEU  65  25.069  -3.637  -3.637
  467   2HD2  LEU  65          HD22      LEU  65  24.011  -4.304  -4.304
  468   3HD2  LEU  65          HD21      LEU  65  25.665  -4.895  -4.895
  469    H    THR  66           HN       THR  66  23.720   0.243   0.243
  470    HA   THR  66           HA       THR  66  20.944   1.245   1.245
  471    HB   THR  66           HB       THR  66  23.339   2.358   2.358
  472    HG1  THR  66           HG1      THR  66  21.697   0.670   0.670
  473   1HG2  THR  66          HG22      THR  66  21.050   3.737   3.737
  474   2HG2  THR  66          HG21      THR  66  21.111   3.920   3.920
  475   3HG2  THR  66          HG23      THR  66  22.492   4.404   4.404
  476    H    ASP  67           HN       ASP  67  24.195   2.578   2.578
  477    HA   ASP  67           HA       ASP  67  24.395   3.096   3.096
  478   1HB   ASP  67           HB2      ASP  67  22.140   4.659   4.659
  479   2HB   ASP  67           HB1      ASP  67  23.307   5.620   5.620
  480    H    GLU  68           HN       GLU  68  23.973   5.185   5.185
  481    HA   GLU  68           HA       GLU  68  26.495   6.584   6.584
  482   1HB   GLU  68           HB2      GLU  68  24.777   7.704   7.704
  483   2HB   GLU  68           HB1      GLU  68  24.548   6.312   6.312
  484   1HG   GLU  68           HG2      GLU  68  26.349   6.869   6.869
  485   2HG   GLU  68           HG1      GLU  68  27.306   7.392   7.392
  486    H    GLN  69           HN       GLN  69  25.795   3.465   3.465
  487    HA   GLN  69           HA       GLN  69  28.135   3.130   3.130
  488   1HB   GLN  69           HB2      GLN  69  25.496   1.923   1.923
  489   2HB   GLN  69           HB1      GLN  69  26.824   0.769   0.769
  490   1HG   GLN  69           HG2      GLN  69  26.535   1.502   1.502
  491   2HG   GLN  69           HG1      GLN  69  27.734   2.649   2.649
  492   1HE2  GLN  69          HE22      GLN  69  25.583   5.396   5.396
  493   2HE2  GLN  69          HE21      GLN  69  27.170   4.827   4.827
  494    H    ILE  70           HN       ILE  70  26.612   2.380   2.380
  495    HA   ILE  70           HA       ILE  70  28.355   0.206   0.206
  496    HB   ILE  70           HB       ILE  70  27.165   2.495   2.495
  497   1HG1  ILE  70          HG12      ILE  70  25.434   1.022   1.022
  498   2HG1  ILE  70          HG11      ILE  70  25.772   0.552   0.552
  499   1HG2  ILE  70          HG21      ILE  70  28.996   0.245   0.245
  500   2HG2  ILE  70          HG23      ILE  70  27.730   0.691   0.691
  501   3HG2  ILE  70          HG22      ILE  70  28.926   1.886   1.886
  502   1HD1  ILE  70          HD13      ILE  70  27.346  -1.203  -1.203
  503   2HD1  ILE  70          HD12      ILE  70  26.776  -0.807  -0.807
  504   3HD1  ILE  70          HD11      ILE  70  25.656  -1.469  -1.469
  505    H    GLN  71           HN       GLN  71  28.624   3.531   3.531
  506    HA   GLN  71           HA       GLN  71  31.349   3.886   3.886
  507   1HB   GLN  71           HB2      GLN  71  29.083   5.557   5.557
  508   2HB   GLN  71           HB1      GLN  71  30.713   6.179   6.179
  509   1HG   GLN  71           HG2      GLN  71  29.589   6.903   6.903
  510   2HG   GLN  71           HG1      GLN  71  31.157   6.120   6.120
  511   1HE2  GLN  71          HE22      GLN  71  27.752   4.193   4.193
  512   2HE2  GLN  71          HE21      GLN  71  27.631   5.545   5.545
  513    H    ASP  72           HN       ASP  72  29.589   4.779   4.779
  514    HA   ASP  72           HA       ASP  72  31.696   4.932   4.932
  515   1HB   ASP  72           HB2      ASP  72  28.773   4.307   4.307
  516   2HB   ASP  72           HB1      ASP  72  29.830   4.166   4.166
  517    H    VAL  73           HN       VAL  73  29.696   2.089   2.089
  518    HA   VAL  73           HA       VAL  73  30.856   0.278   0.278
  519    HB   VAL  73           HB       VAL  73  28.828   0.059   0.059
  520   1HG1  VAL  73          HG11      VAL  73  30.724  -0.071  -0.071
  521   2HG1  VAL  73          HG13      VAL  73  30.774  -1.764  -1.764
  522   3HG1  VAL  73          HG12      VAL  73  29.274  -1.066  -1.066
  523   1HG2  VAL  73          HG23      VAL  73  30.072  -1.568  -1.568
  524   2HG2  VAL  73          HG22      VAL  73  28.574  -1.955  -1.955
  525   3HG2  VAL  73          HG21      VAL  73  30.116  -2.546  -2.546
  526    H    ALA  74           HN       ALA  74  32.050   1.433   1.433
  527    HA   ALA  74           HA       ALA  74  34.155  -0.606  -0.606
  528   1HB   ALA  74           HB3      ALA  74  33.532   1.888   1.888
  529   2HB   ALA  74           HB2      ALA  74  35.066   1.041   1.041
  530   3HB   ALA  74           HB1      ALA  74  33.548   0.212   0.212
  531    H    ALA  75           HN       ALA  75  34.272   2.974   2.974
  532    HA   ALA  75           HA       ALA  75  36.897   3.159   3.159
  533   1HB   ALA  75           HB3      ALA  75  34.385   4.779   4.779
  534   2HB   ALA  75           HB2      ALA  75  35.683   5.129   5.129
  535   3HB   ALA  75           HB1      ALA  75  35.981   5.265   5.265
  536    H    TYR  76           HN       TYR  76  33.995   1.954   1.954
  537    HA   TYR  76           HA       TYR  76  34.525   2.073   2.073
  538   1HB   TYR  76           HB2      TYR  76  32.287   1.692   1.692
  539   2HB   TYR  76           HB1      TYR  76  32.759   0.441   0.441
  540    HD1  TYR  76           HD1      TYR  76  32.307   1.218   1.218
  541    HD2  TYR  76           HD2      TYR  76  33.053  -1.840  -1.840
  542    HE1  TYR  76           HE1      TYR  76  31.866  -0.407  -0.407
  543    HE2  TYR  76           HE2      TYR  76  32.585  -3.536  -3.536
  544    HH   TYR  76           HH       TYR  76  31.002  -2.988  -2.988
  545    H    VAL  77           HN       VAL  77  34.984  -0.525  -0.525
  546    HA   VAL  77           HA       VAL  77  36.176  -2.349  -2.349
  547    HB   VAL  77           HB       VAL  77  35.312  -3.247  -3.247
  548   1HG1  VAL  77          HG11      VAL  77  36.937  -1.082  -1.082
  549   2HG1  VAL  77          HG13      VAL  77  36.433  -2.479  -2.479
  550   3HG1  VAL  77          HG12      VAL  77  35.220  -1.436  -1.436
  551   1HG2  VAL  77          HG23      VAL  77  37.915  -3.729  -3.729
  552   2HG2  VAL  77          HG22      VAL  77  37.037  -4.685  -4.685
  553   3HG2  VAL  77          HG21      VAL  77  38.099  -3.382  -3.382
  554    H    LEU  78           HN       LEU  78  37.232   0.472   0.472
  555    HA   LEU  78           HA       LEU  78  40.098  -0.177  -0.177
  556   1HB   LEU  78           HB2      LEU  78  38.944   2.601   2.601
  557   2HB   LEU  78           HB1      LEU  78  40.471   1.978   1.978
  558    HG   LEU  78           HG       LEU  78  37.678   1.471   1.471
  559   1HD1  LEU  78          HD12      LEU  78  40.308   2.369   2.369
  560   2HD1  LEU  78          HD11      LEU  78  38.879   1.987   1.987
  561   3HD1  LEU  78          HD13      LEU  78  38.836   3.322   3.322
  562   1HD2  LEU  78          HD21      LEU  78  38.767  -0.739  -0.739
  563   2HD2  LEU  78          HD23      LEU  78  38.598  -0.303  -0.303
  564   3HD2  LEU  78          HD22      LEU  78  40.162  -0.151  -0.151
  565    H    ASP  79           HN       ASP  79  37.693   0.963   0.963
  566    HA   ASP  79           HA       ASP  79  39.571   2.270   2.270
  567   1HB   ASP  79           HB2      ASP  79  37.013   2.878   2.878
  568   2HB   ASP  79           HB1      ASP  79  36.724   1.889   1.889
  569    H    GLN  80           HN       GLN  80  37.474  -0.505  -0.505
  570    HA   GLN  80           HA       GLN  80  37.918  -1.471  -1.471
  571   1HB   GLN  80           HB2      GLN  80  36.752  -2.974  -2.974
  572   2HB   GLN  80           HB1      GLN  80  36.382  -3.118  -3.118
  573   1HG   GLN  80           HG2      GLN  80  35.895  -0.436  -0.436
  574   2HG   GLN  80           HG1      GLN  80  34.933  -1.685  -1.685
  575   1HE2  GLN  80          HE22      GLN  80  33.517  -0.424  -0.424
  576   2HE2  GLN  80          HE21      GLN  80  34.322   0.467   0.467
  577    H    ALA  81           HN       ALA  81  39.003  -2.251  -2.251
  578    HA   ALA  81           HA       ALA  81  40.376  -4.651  -4.651
  579   1HB   ALA  81           HB2      ALA  81  40.791  -2.353  -2.353
  580   2HB   ALA  81           HB1      ALA  81  42.034  -3.599  -3.599
  581   3HB   ALA  81           HB3      ALA  81  40.390  -4.031  -4.031
  582    H    ALA  82           HN       ALA  82  41.300  -1.358  -1.358
  583    HA   ALA  82           HA       ALA  82  43.972  -2.128  -2.128
  584   1HB   ALA  82           HB3      ALA  82  42.383   0.421   0.421
  585   2HB   ALA  82           HB2      ALA  82  44.044   0.229   0.229
  586   3HB   ALA  82           HB1      ALA  82  43.679   0.118   0.118
  587    H    LYS  83           HN       LYS  83  40.841  -1.745  -1.745
  588    HA   LYS  83           HA       LYS  83  41.540  -3.243  -3.243
  589   1HB   LYS  83           HB2      LYS  83  42.166  -1.693  -1.693
  590   2HB   LYS  83           HB1      LYS  83  42.869  -0.931  -0.931
  591   1HG   LYS  83           HG2      LYS  83  40.121  -0.286  -0.286
  592   2HG   LYS  83           HG1      LYS  83  41.569   0.694   0.694
  593   1HD   LYS  83           HD2      LYS  83  41.211   0.151   0.151
  594   2HD   LYS  83           HD1      LYS  83  39.727   0.834   0.834
  595   1HE   LYS  83           HE2      LYS  83  42.066   2.202   2.202
  596   2HE   LYS  83           HE1      LYS  83  42.063   2.236   2.236
  597   1HZ   LYS  83           HZ3      LYS  83  39.543   2.787   2.787
  598   2HZ   LYS  83           HZ2      LYS  83  40.742   3.991   3.991
  599   3HZ   LYS  83           HZ1      LYS  83  40.159   3.437   3.437
  600    H    GLY  84           HN       GLY  84  39.485  -0.875  -0.875
  601   1HA   GLY  84           HA2      GLY  84  37.427  -0.720  -0.720
  602   2HA   GLY  84           HA1      GLY  84  37.195  -0.441  -0.441
  603    H    TRP  85           HN       TRP  85  38.415  -3.375  -3.375
  604    HA   TRP  85           HA       TRP  85  35.898  -4.603  -4.603
  605   1HB   TRP  85           HB2      TRP  85  38.668  -5.774  -5.774
  606   2HB   TRP  85           HB1      TRP  85  37.249  -6.807  -6.807
  607    HD1  TRP  85           HD1      TRP  85  39.704  -6.016  -6.016
  608    HE1  TRP  85           HE1      TRP  85  38.903  -5.406  -5.406
  609    HE3  TRP  85           HE3      TRP  85  34.841  -4.966  -4.966
  610    HZ2  TRP  85           HZ2      TRP  85  36.514  -4.527  -4.527
  611    HZ3  TRP  85           HZ3      TRP  85  33.364  -4.199  -4.199
  612    HH2  TRP  85           HH2      TRP  85  34.147  -3.957  -3.957
  613    H    ALA  86           HN       ALA  86  34.771  -4.303  -4.303
  614    HA   ALA  86           HA       ALA  86  35.686  -4.667  -4.667
  615   1HB   ALA  86           HB3      ALA  86  33.344  -3.982  -3.982
  616   2HB   ALA  86           HB2      ALA  86  32.994  -5.686  -5.686
  617   3HB   ALA  86           HB1      ALA  86  33.405  -5.139  -5.139
  618    H    GLY  87           HN       GLY  87  35.114  -7.075  -7.075
  619   1HA   GLY  87           HA2      GLY  87  35.342  -9.415  -9.415
  620   2HA   GLY  87           HA1      GLY  87  36.690  -9.072  -9.072
  621    HHA  HEC  88           HA       HEM  88  36.433 -11.120 -11.120
  622    HHB  HEC  88           HB       HEM  88  34.268  -6.062  -6.062
  623    HHC  HEC  88           HC       HEM  88  28.598  -8.886  -8.886
  624    HHD  HEC  88           HD       HEM  88  31.006 -14.153 -14.153
  625   1HMA  HEC  88          HMA1      HEM  88  36.266  -5.807  -5.807
  626   2HMA  HEC  88          HMA2      HEM  88  37.029  -5.778  -5.778
  627   3HMA  HEC  88          HMA3      HEM  88  37.801  -6.713  -6.713
  628   1HAA  HEC  88          HAA1      HEM  88  38.599  -8.395  -8.395
  629   2HAA  HEC  88          HAA2      HEM  88  38.008  -9.894  -9.894
  630   1HBA  HEC  88          HBA1      HEM  88  36.912  -8.383  -8.383
  631   2HBA  HEC  88          HBA2      HEM  88  37.870  -7.019  -7.019
  632   1HMB  HEC  88          HMB1      HEM  88  31.790  -5.022  -5.022
  633   2HMB  HEC  88          HMB2      HEM  88  31.473  -4.227  -4.227
  634   3HMB  HEC  88          HMB3      HEM  88  33.122  -4.864  -4.864
  635    HAB  HEC  88           HAB      HEM  88  28.350  -7.043  -7.043
  636   1HBB  HEC  88          HBB1      HEM  88  29.066  -4.162  -4.162
  637   2HBB  HEC  88          HBB2      HEM  88  29.647  -5.200  -5.200
  638   3HBB  HEC  88          HBB3      HEM  88  27.895  -5.173  -5.173
  639   1HMC  HEC  88          HMC1      HEM  88  26.609 -12.054 -12.054
  640   2HMC  HEC  88          HMC2      HEM  88  27.255 -11.202 -11.202
  641   3HMC  HEC  88          HMC3      HEM  88  26.860 -10.263 -10.263
  642    HAC  HEC  88           HAC      HEM  88  29.436 -14.627 -14.627
  643   1HBC  HEC  88          HBC1      HEM  88  27.516 -13.656 -13.656
  644   2HBC  HEC  88          HBC2      HEM  88  27.277 -15.261 -15.261
  645   3HBC  HEC  88          HBC3      HEM  88  26.502 -13.788 -13.788
  646   1HMD  HEC  88          HMD1      HEM  88  33.508 -15.902 -15.902
  647   2HMD  HEC  88          HMD2      HEM  88  32.077 -15.304 -15.304
  648   3HMD  HEC  88          HMD3      HEM  88  33.681 -15.473 -15.473
  649   1HAD  HEC  88          HAD1      HEM  88  36.258 -14.551 -14.551
  650   2HAD  HEC  88          HAD2      HEM  88  36.656 -12.880 -12.880
  651   1HBD  HEC  88          HBD1      HEM  88  35.419 -15.164 -15.164
  652   2HBD  HEC  88          HBD2      HEM  88  34.642 -13.554 -13.554

  Start of MODEL   11
    1   1H    ALA   1           HT2      ALA   1  32.317   8.464   8.464
    2   2H    ALA   1           HT1      ALA   1  33.277   9.520   9.520
    3   3H    ALA   1           HT3      ALA   1  31.821   8.926   8.926
    4    HA   ALA   1           HA       ALA   1  31.179  11.017  11.017
    5   1HB   ALA   1           HB3      ALA   1  33.553  10.980  10.980
    6   2HB   ALA   1           HB2      ALA   1  32.360  11.026  11.026
    7   3HB   ALA   1           HB1      ALA   1  32.369  12.285  12.285
    8    H    ASP   2           HN       ASP   2  31.682   9.015   9.015
    9    HA   ASP   2           HA       ASP   2  28.706   8.919   8.919
   10   1HB   ASP   2           HB2      ASP   2  30.745   9.068   9.068
   11   2HB   ASP   2           HB1      ASP   2  28.991   8.985   8.985
   12    H    LEU   3           HN       LEU   3  31.729   7.191   7.191
   13    HA   LEU   3           HA       LEU   3  30.757   4.830   4.830
   14   1HB   LEU   3           HB2      LEU   3  32.998   5.064   5.064
   15   2HB   LEU   3           HB1      LEU   3  32.726   3.704   3.704
   16    HG   LEU   3           HG       LEU   3  33.710   6.473   6.473
   17   1HD1  LEU   3          HD11      LEU   3  35.186   4.430   4.430
   18   2HD1  LEU   3          HD13      LEU   3  34.420   3.765   3.765
   19   3HD1  LEU   3          HD12      LEU   3  35.358   5.256   5.256
   20   1HD2  LEU   3          HD21      LEU   3  31.679   6.116   6.116
   21   2HD2  LEU   3          HD23      LEU   3  33.167   6.170   6.170
   22   3HD2  LEU   3          HD22      LEU   3  32.400   4.621   4.621
   23    H    ALA   4           HN       ALA   4  29.906   6.196   6.196
   24    HA   ALA   4           HA       ALA   4  29.608   3.916   3.916
   25   1HB   ALA   4           HB2      ALA   4  28.883   6.651   6.651
   26   2HB   ALA   4           HB1      ALA   4  27.374   5.749   5.749
   27   3HB   ALA   4           HB3      ALA   4  28.695   5.461   5.461
   28    H    ASN   5           HN       ASN   5  27.950   5.198   5.198
   29    HA   ASN   5           HA       ASN   5  25.570   3.564   3.564
   30   1HB   ASN   5           HB2      ASN   5  26.746   5.604   5.604
   31   2HB   ASN   5           HB1      ASN   5  26.141   4.278   4.278
   32   1HD2  ASN   5          HD22      ASN   5  23.233   5.698   5.698
   33   2HD2  ASN   5          HD21      ASN   5  24.714   5.140   5.140
   34    H    GLY   6           HN       GLY   6  28.752   3.348   3.348
   35   1HA   GLY   6           HA2      GLY   6  28.424   1.103   1.103
   36   2HA   GLY   6           HA1      GLY   6  29.912   1.433   1.433
   37    H    ALA   7           HN       ALA   7  29.367   1.037   1.037
   38    HA   ALA   7           HA       ALA   7  29.246  -1.733  -1.733
   39   1HB   ALA   7           HB2      ALA   7  29.158   0.636   0.636
   40   2HB   ALA   7           HB1      ALA   7  28.180  -0.680  -0.680
   41   3HB   ALA   7           HB3      ALA   7  29.890  -0.939  -0.939
   42    H    LYS   8           HN       LYS   8  26.623   0.648   0.648
   43    HA   LYS   8           HA       LYS   8  24.558  -1.048  -1.048
   44   1HB   LYS   8           HB2      LYS   8  23.791   1.127   1.127
   45   2HB   LYS   8           HB1      LYS   8  24.699   1.442   1.442
   46   1HG   LYS   8           HG2      LYS   8  22.480  -0.538  -0.538
   47   2HG   LYS   8           HG1      LYS   8  22.010   1.143   1.143
   48   1HD   LYS   8           HD2      LYS   8  23.722   0.022   0.022
   49   2HD   LYS   8           HD1      LYS   8  22.130   0.757   0.757
   50   1HE   LYS   8           HE2      LYS   8  23.762   2.636   2.636
   51   2HE   LYS   8           HE1      LYS   8  24.703   2.027   2.027
   52   1HZ   LYS   8           HZ3      LYS   8  22.542   2.379   2.379
   53   2HZ   LYS   8           HZ2      LYS   8  22.082   3.379   3.379
   54   3HZ   LYS   8           HZ1      LYS   8  23.475   3.739   3.739
   55    H    VAL   9           HN       VAL   9  25.919  -0.567  -0.567
   56    HA   VAL   9           HA       VAL   9  24.086  -2.491  -2.491
   57    HB   VAL   9           HB       VAL   9  26.537  -1.012  -1.012
   58   1HG1  VAL   9          HG12      VAL   9  26.383  -3.315  -3.315
   59   2HG1  VAL   9          HG11      VAL   9  24.796  -2.859  -2.859
   60   3HG1  VAL   9          HG13      VAL   9  26.236  -1.991  -1.991
   61   1HG2  VAL   9          HG22      VAL   9  23.575  -0.804  -0.804
   62   2HG2  VAL   9          HG21      VAL   9  24.769   0.476   0.476
   63   3HG2  VAL   9          HG23      VAL   9  24.589  -0.288  -0.288
   64    H    PHE  10           HN       PHE  10  27.661  -2.485  -2.485
   65    HA   PHE  10           HA       PHE  10  28.141  -5.113  -5.113
   66   1HB   PHE  10           HB2      PHE  10  29.939  -3.505  -3.505
   67   2HB   PHE  10           HB1      PHE  10  29.537  -3.505  -3.505
   68    HD1  PHE  10           HD1      PHE  10  29.649  -5.622  -5.622
   69    HD2  PHE  10           HD2      PHE  10  31.309  -5.280  -5.280
   70    HE1  PHE  10           HE1      PHE  10  30.953  -7.659  -7.659
   71    HE2  PHE  10           HE2      PHE  10  32.617  -7.347  -7.347
   72    HZ   PHE  10           HZ       PHE  10  32.450  -8.542  -8.542
   73    H    SER  11           HN       SER  11  26.707  -3.960  -3.960
   74    HA   SER  11           HA       SER  11  27.056  -6.575  -6.575
   75   1HB   SER  11           HB2      SER  11  25.759  -3.988  -3.988
   76   2HB   SER  11           HB1      SER  11  25.819  -5.452  -5.452
   77    HG   SER  11           HG       SER  11  27.684  -3.597  -3.597
   78    H    GLY  12           HN       GLY  12  25.443  -6.377  -6.377
   79   1HA   GLY  12           HA2      GLY  12  23.135  -7.822  -7.822
   80   2HA   GLY  12           HA1      GLY  12  22.699  -6.229  -6.229
   81    H    ASN  13           HN       ASN  13  24.887  -6.330  -6.330
   82    HA   ASN  13           HA       ASN  13  23.579  -8.291  -8.291
   83   1HB   ASN  13           HB2      ASN  13  25.063  -5.839  -5.839
   84   2HB   ASN  13           HB1      ASN  13  23.784  -6.732  -6.732
   85   1HD2  ASN  13          HD22      ASN  13  22.824  -3.832  -3.832
   86   2HD2  ASN  13          HD21      ASN  13  24.441  -4.333  -4.333
   87    H    CYS  14           HN       CYS  14  26.597  -6.558  -6.558
   88    HA   CYS  14           HA       CYS  14  28.220  -8.399  -8.399
   89   1HB   CYS  14           HB2      CYS  14  29.237  -6.516  -6.516
   90   2HB   CYS  14           HB1      CYS  14  30.025  -7.012  -7.012
   91    H    ALA  15           HN       ALA  15  27.152  -8.100  -8.100
   92    HA   ALA  15           HA       ALA  15  29.027  -9.664  -9.664
   93   1HB   ALA  15           HB3      ALA  15  26.180  -8.962  -8.962
   94   2HB   ALA  15           HB2      ALA  15  26.718 -10.406 -10.406
   95   3HB   ALA  15           HB1      ALA  15  27.520  -8.861  -8.861
   96    H    ALA  16           HN       ALA  16  26.447 -10.675 -10.675
   97    HA   ALA  16           HA       ALA  16  26.282 -13.410 -13.410
   98   1HB   ALA  16           HB3      ALA  16  25.920 -11.972 -11.972
   99   2HB   ALA  16           HB2      ALA  16  25.637 -13.705 -13.705
  100   3HB   ALA  16           HB1      ALA  16  24.675 -12.559 -12.559
  101    H    CYS  17           HN       CYS  17  28.500 -11.840 -11.840
  102    HA   CYS  17           HA       CYS  17  30.006 -14.410 -14.410
  103   1HB   CYS  17           HB2      CYS  17  29.529 -12.218 -12.218
  104   2HB   CYS  17           HB1      CYS  17  31.090 -13.014 -13.014
  105    H    HIS  18           HN       HIS  18  30.213 -12.230 -12.230
  106    HA   HIS  18           HA       HIS  18  33.144 -12.056 -12.056
  107   1HB   HIS  18           HB2      HIS  18  31.357  -9.600  -9.600
  108   2HB   HIS  18           HB1      HIS  18  33.092  -9.584  -9.584
  109    HD1  HIS  18           HD1      HIS  18  34.629 -10.451 -10.451
  110    HD2  HIS  18           HD2      HIS  18  30.665  -9.852  -9.852
  111    HE1  HIS  18           HE1      HIS  18  34.573 -10.509 -10.509
  112    H    MET  19           HN       MET  19  30.709 -10.101 -10.101
  113    HA   MET  19           HA       MET  19  30.383  -9.702  -9.702
  114   1HB   MET  19           HB2      MET  19  29.865 -12.385 -12.385
  115   2HB   MET  19           HB1      MET  19  30.682 -12.382 -12.382
  116   1HG   MET  19           HG2      MET  19  29.022 -11.097 -11.097
  117   2HG   MET  19           HG1      MET  19  28.472 -10.419 -10.419
  118   1HE   MET  19           HE2      MET  19  27.557 -11.961 -11.961
  119   2HE   MET  19           HE1      MET  19  26.319 -13.168 -13.168
  120   3HE   MET  19           HE3      MET  19  28.016 -13.651 -13.651
  121    H    GLY  20           HN       GLY  20  32.064  -8.639  -8.639
  122   1HA   GLY  20           HA2      GLY  20  33.861  -8.469  -8.469
  123   2HA   GLY  20           HA1      GLY  20  33.949 -10.230 -10.230
  124    H    GLY  21           HN       GLY  21  34.184  -8.047  -8.047
  125   1HA   GLY  21           HA2      GLY  21  35.789  -8.070  -8.070
  126   2HA   GLY  21           HA1      GLY  21  36.897  -7.819  -7.819
  127    H    GLY  22           HN       GLY  22  34.932 -10.712 -10.712
  128   1HA   GLY  22           HA2      GLY  22  37.455 -12.212 -12.212
  129   2HA   GLY  22           HA1      GLY  22  36.269 -12.826 -12.826
  130    H    ASN  23           HN       ASN  23  36.945 -12.273 -12.273
  131    HA   ASN  23           HA       ASN  23  34.505 -12.874 -12.874
  132   1HB   ASN  23           HB2      ASN  23  37.122 -12.594 -12.594
  133   2HB   ASN  23           HB1      ASN  23  36.777 -14.280 -14.280
  134   1HD2  ASN  23          HD22      ASN  23  35.631 -12.070 -12.070
  135   2HD2  ASN  23          HD21      ASN  23  37.124 -12.264 -12.264
  136    H    VAL  24           HN       VAL  24  33.936 -15.064 -15.064
  137    HA   VAL  24           HA       VAL  24  34.769 -17.388 -17.388
  138    HB   VAL  24           HB       VAL  24  32.200 -17.991 -17.991
  139   1HG1  VAL  24          HG13      VAL  24  33.992 -16.954 -16.954
  140   2HG1  VAL  24          HG12      VAL  24  32.568 -15.925 -15.925
  141   3HG1  VAL  24          HG11      VAL  24  32.420 -17.672 -17.672
  142   1HG2  VAL  24          HG21      VAL  24  32.151 -15.414 -15.414
  143   2HG2  VAL  24          HG23      VAL  24  30.768 -16.339 -16.339
  144   3HG2  VAL  24          HG22      VAL  24  31.589 -15.205 -15.205
  145    H    VAL  25           HN       VAL  25  32.185 -16.789 -16.789
  146    HA   VAL  25           HA       VAL  25  32.317 -19.200 -19.200
  147    HB   VAL  25           HB       VAL  25  30.638 -17.729 -17.729
  148   1HG1  VAL  25          HG13      VAL  25  32.852 -15.723 -15.723
  149   2HG1  VAL  25          HG12      VAL  25  31.172 -15.475 -15.475
  150   3HG1  VAL  25          HG11      VAL  25  31.586 -15.628 -15.628
  151   1HG2  VAL  25          HG22      VAL  25  32.404 -18.801 -18.801
  152   2HG2  VAL  25          HG21      VAL  25  30.790 -18.181 -18.181
  153   3HG2  VAL  25          HG23      VAL  25  32.198 -17.136 -17.136
  154    H    MET  26           HN       MET  26  34.509 -16.423 -16.423
  155    HA   MET  26           HA       MET  26  35.935 -17.447 -17.447
  156   1HB   MET  26           HB2      MET  26  37.929 -16.169 -16.169
  157   2HB   MET  26           HB1      MET  26  36.592 -15.281 -15.281
  158   1HG   MET  26           HG2      MET  26  37.234 -14.591 -14.591
  159   2HG   MET  26           HG1      MET  26  35.530 -14.948 -14.948
  160   1HE   MET  26           HE3      MET  26  38.790 -15.703 -15.703
  161   2HE   MET  26           HE2      MET  26  38.187 -15.700 -15.700
  162   3HE   MET  26           HE1      MET  26  38.779 -17.200 -17.200
  163    H    ALA  27           HN       ALA  27  38.581 -17.816 -17.816
  164    HA   ALA  27           HA       ALA  27  38.486 -20.245 -20.245
  165   1HB   ALA  27           HB1      ALA  27  38.766 -20.820 -20.820
  166   2HB   ALA  27           HB3      ALA  27  40.198 -19.791 -19.791
  167   3HB   ALA  27           HB2      ALA  27  40.200 -21.240 -21.240
  168    H    ASN  28           HN       ASN  28  39.548 -17.159 -17.159
  169    HA   ASN  28           HA       ASN  28  41.371 -17.460 -17.460
  170   1HB   ASN  28           HB2      ASN  28  43.524 -17.208 -17.208
  171   2HB   ASN  28           HB1      ASN  28  42.733 -18.481 -18.481
  172   1HD2  ASN  28          HD22      ASN  28  42.108 -16.176 -16.176
  173   2HD2  ASN  28          HD21      ASN  28  41.244 -17.321 -17.321
  174    H    LYS  29           HN       LYS  29  40.332 -15.555 -15.555
  175    HA   LYS  29           HA       LYS  29  41.400 -13.042 -13.042
  176   1HB   LYS  29           HB2      LYS  29  39.393 -14.043 -14.043
  177   2HB   LYS  29           HB1      LYS  29  38.640 -12.742 -12.742
  178   1HG   LYS  29           HG2      LYS  29  40.031 -11.132 -11.132
  179   2HG   LYS  29           HG1      LYS  29  41.386 -12.249 -12.249
  180   1HD   LYS  29           HD2      LYS  29  38.948 -12.667 -12.667
  181   2HD   LYS  29           HD1      LYS  29  40.097 -11.407 -11.407
  182   1HE   LYS  29           HE2      LYS  29  41.471 -13.862 -13.862
  183   2HE   LYS  29           HE1      LYS  29  40.311 -14.147 -14.147
  184   1HZ   LYS  29           HZ3      LYS  29  41.281 -12.270 -12.270
  185   2HZ   LYS  29           HZ2      LYS  29  42.429 -12.065 -12.065
  186   3HZ   LYS  29           HZ1      LYS  29  42.429 -13.483 -13.483
  187    H    THR  30           HN       THR  30  40.959 -11.471 -11.471
  188    HA   THR  30           HA       THR  30  38.740 -12.011 -12.011
  189    HB   THR  30           HB       THR  30  41.309 -10.598 -10.598
  190    HG1  THR  30           HG1      THR  30  40.739 -13.371 -13.371
  191   1HG2  THR  30          HG21      THR  30  38.943 -11.704 -11.704
  192   2HG2  THR  30          HG23      THR  30  40.504 -11.874 -11.874
  193   3HG2  THR  30          HG22      THR  30  39.908 -10.273 -10.273
  194    H    LEU  31           HN       LEU  31  38.435  -9.764  -9.764
  195    HA   LEU  31           HA       LEU  31  38.022  -7.689  -7.689
  196   1HB   LEU  31           HB2      LEU  31  36.643  -8.443  -8.443
  197   2HB   LEU  31           HB1      LEU  31  36.739  -6.712  -6.712
  198    HG   LEU  31           HG       LEU  31  34.826  -8.499  -8.499
  199   1HD1  LEU  31          HD12      LEU  31  35.454  -5.720  -5.720
  200   2HD1  LEU  31          HD11      LEU  31  34.936  -6.184  -6.184
  201   3HD1  LEU  31          HD13      LEU  31  33.885  -6.490  -6.490
  202   1HD2  LEU  31          HD23      LEU  31  36.573  -9.245  -9.245
  203   2HD2  LEU  31          HD22      LEU  31  35.104  -8.573  -8.573
  204   3HD2  LEU  31          HD21      LEU  31  36.561  -7.597  -7.597
  205    H    LYS  32           HN       LYS  32  39.979  -8.442  -8.442
  206    HA   LYS  32           HA       LYS  32  40.497  -5.894  -5.894
  207   1HB   LYS  32           HB2      LYS  32  42.390  -8.232  -8.232
  208   2HB   LYS  32           HB1      LYS  32  42.732  -6.826  -6.826
  209   1HG   LYS  32           HG2      LYS  32  41.176  -7.422  -7.422
  210   2HG   LYS  32           HG1      LYS  32  40.140  -8.247  -8.247
  211   1HD   LYS  32           HD2      LYS  32  41.189  -9.907  -9.907
  212   2HD   LYS  32           HD1      LYS  32  41.855 -10.056 -10.056
  213   1HE   LYS  32           HE2      LYS  32  43.222  -8.244  -8.244
  214   2HE   LYS  32           HE1      LYS  32  43.464  -9.984  -9.984
  215   1HZ   LYS  32           HZ1      LYS  32  43.749  -9.572  -9.572
  216   2HZ   LYS  32           HZ3      LYS  32  44.420  -8.151  -8.151
  217   3HZ   LYS  32           HZ2      LYS  32  45.033  -9.662  -9.662
  218    H    LYS  33           HN       LYS  33  43.212  -7.268  -7.268
  219    HA   LYS  33           HA       LYS  33  43.145  -5.564  -5.564
  220   1HB   LYS  33           HB2      LYS  33  44.949  -3.964  -3.964
  221   2HB   LYS  33           HB1      LYS  33  43.358  -3.696  -3.696
  222   1HG   LYS  33           HG2      LYS  33  43.998  -4.554  -4.554
  223   2HG   LYS  33           HG1      LYS  33  45.319  -5.499  -5.499
  224   1HD   LYS  33           HD2      LYS  33  46.155  -3.027  -3.027
  225   2HD   LYS  33           HD1      LYS  33  45.252  -2.631  -2.631
  226   1HE   LYS  33           HE2      LYS  33  47.265  -4.885  -4.885
  227   2HE   LYS  33           HE1      LYS  33  47.733  -3.228  -3.228
  228   1HZ   LYS  33           HZ3      LYS  33  45.486  -3.771  -3.771
  229   2HZ   LYS  33           HZ2      LYS  33  46.474  -5.146  -5.146
  230   3HZ   LYS  33           HZ1      LYS  33  47.082  -3.614  -3.614
  231    H    GLU  34           HN       GLU  34  45.053  -7.247  -7.247
  232    HA   GLU  34           HA       GLU  34  47.542  -7.452  -7.452
  233   1HB   GLU  34           HB2      GLU  34  47.761  -9.631  -9.631
  234   2HB   GLU  34           HB1      GLU  34  46.941  -8.482  -8.482
  235   1HG   GLU  34           HG2      GLU  34  44.758  -9.408  -9.408
  236   2HG   GLU  34           HG1      GLU  34  45.572 -10.550 -10.550
  237    H    ALA  35           HN       ALA  35  44.607  -9.209  -9.209
  238    HA   ALA  35           HA       ALA  35  46.071 -10.483 -10.483
  239   1HB   ALA  35           HB2      ALA  35  44.875 -11.983 -11.983
  240   2HB   ALA  35           HB1      ALA  35  43.363 -11.182 -11.182
  241   3HB   ALA  35           HB3      ALA  35  44.252 -12.098 -12.098
  242    H    LEU  36           HN       LEU  36  42.763  -9.226  -9.226
  243    HA   LEU  36           HA       LEU  36  41.893  -8.986  -8.986
  244   1HB   LEU  36           HB2      LEU  36  40.702  -6.847  -6.847
  245   2HB   LEU  36           HB1      LEU  36  40.405  -8.266  -8.266
  246    HG   LEU  36           HG       LEU  36  42.681  -6.466  -6.466
  247   1HD1  LEU  36          HD12      LEU  36  40.689  -4.984  -4.984
  248   2HD1  LEU  36          HD11      LEU  36  39.794  -5.938  -5.938
  249   3HD1  LEU  36          HD13      LEU  36  41.201  -5.010  -5.010
  250   1HD2  LEU  36          HD21      LEU  36  41.256  -8.675  -8.675
  251   2HD2  LEU  36          HD23      LEU  36  42.662  -7.832  -7.832
  252   3HD2  LEU  36          HD22      LEU  36  41.039  -7.275  -7.275
  253    H    GLU  37           HN       GLU  37  44.350  -6.977  -6.977
  254    HA   GLU  37           HA       GLU  37  44.565  -5.382  -5.382
  255   1HB   GLU  37           HB2      GLU  37  44.871  -4.578  -4.578
  256   2HB   GLU  37           HB1      GLU  37  46.548  -4.982  -4.982
  257   1HG   GLU  37           HG2      GLU  37  45.279  -3.597  -3.597
  258   2HG   GLU  37           HG1      GLU  37  45.159  -2.639  -2.639
  259    H    GLN  38           HN       GLN  38  46.258  -7.883  -7.883
  260    HA   GLN  38           HA       GLN  38  48.762  -8.044  -8.044
  261   1HB   GLN  38           HB2      GLN  38  47.500  -9.632  -9.632
  262   2HB   GLN  38           HB1      GLN  38  46.804 -10.344 -10.344
  263   1HG   GLN  38           HG2      GLN  38  48.838 -11.459 -11.459
  264   2HG   GLN  38           HG1      GLN  38  48.914 -11.041 -11.041
  265   1HE2  GLN  38          HE22      GLN  38  51.451  -8.547  -8.547
  266   2HE2  GLN  38          HE21      GLN  38  50.246  -9.111  -9.111
  267    H    PHE  39           HN       PHE  39  45.697  -8.583  -8.583
  268    HA   PHE  39           HA       PHE  39  46.846  -9.468  -9.468
  269   1HB   PHE  39           HB2      PHE  39  43.988  -8.617  -8.617
  270   2HB   PHE  39           HB1      PHE  39  44.651  -9.906  -9.906
  271    HD1  PHE  39           HD1      PHE  39  45.783 -11.901 -11.901
  272    HD2  PHE  39           HD2      PHE  39  43.009  -9.125  -9.125
  273    HE1  PHE  39           HE1      PHE  39  45.328 -13.507 -13.507
  274    HE2  PHE  39           HE2      PHE  39  42.565 -10.721 -10.721
  275    HZ   PHE  39           HZ       PHE  39  43.720 -12.919 -12.919
  276    H    GLY  40           HN       GLY  40  44.964  -6.711  -6.711
  277   1HA   GLY  40           HA2      GLY  40  46.015  -4.494  -4.494
  278   2HA   GLY  40           HA1      GLY  40  46.031  -5.133  -5.133
  279    H    MET  41           HN       MET  41  43.674  -4.694  -4.694
  280    HA   MET  41           HA       MET  41  41.896  -3.135  -3.135
  281   1HB   MET  41           HB2      MET  41  40.193  -5.322  -5.322
  282   2HB   MET  41           HB1      MET  41  40.824  -4.792  -4.792
  283   1HG   MET  41           HG2      MET  41  42.634  -6.314  -6.314
  284   2HG   MET  41           HG1      MET  41  42.454  -6.565  -6.565
  285   1HE   MET  41           HE2      MET  41  40.826  -6.433  -6.433
  286   2HE   MET  41           HE1      MET  41  40.300  -8.074  -8.074
  287   3HE   MET  41           HE3      MET  41  39.199  -6.947  -6.947
  288    H    TYR  42           HN       TYR  42  43.041  -3.440  -3.440
  289    HA   TYR  42           HA       TYR  42  40.564  -3.602  -3.602
  290   1HB   TYR  42           HB2      TYR  42  42.322  -4.719  -4.719
  291   2HB   TYR  42           HB1      TYR  42  43.516  -3.542  -3.542
  292    HD1  TYR  42           HD1      TYR  42  40.269  -3.229  -3.229
  293    HD2  TYR  42           HD2      TYR  42  44.497  -2.471  -2.471
  294    HE1  TYR  42           HE1      TYR  42  40.106  -2.030  -2.030
  295    HE2  TYR  42           HE2      TYR  42  44.332  -1.269  -1.269
  296    HH   TYR  42           HH       TYR  42  42.376  -1.513  -1.513
  297    H    SER  43           HN       SER  43  41.255  -1.392  -1.392
  298    HA   SER  43           HA       SER  43  41.368   0.938   0.938
  299   1HB   SER  43           HB2      SER  43  42.059   2.245   2.245
  300   2HB   SER  43           HB1      SER  43  42.958   0.730   0.730
  301    HG   SER  43           HG       SER  43  40.878   1.705   1.705
  302    H    GLU  44           HN       GLU  44  39.906   2.799   2.799
  303    HA   GLU  44           HA       GLU  44  37.200   2.160   2.160
  304   1HB   GLU  44           HB2      GLU  44  38.727   4.584   4.584
  305   2HB   GLU  44           HB1      GLU  44  36.997   4.521   4.521
  306   1HG   GLU  44           HG2      GLU  44  36.963   3.680   3.680
  307   2HG   GLU  44           HG1      GLU  44  38.410   4.686   4.686
  308    H    ASP  45           HN       ASP  45  38.668   3.530   3.530
  309    HA   ASP  45           HA       ASP  45  36.619   2.791   2.791
  310   1HB   ASP  45           HB2      ASP  45  38.676   4.175   4.175
  311   2HB   ASP  45           HB1      ASP  45  39.496   2.641   2.641
  312    H    ALA  46           HN       ALA  46  38.935   0.719   0.719
  313    HA   ALA  46           HA       ALA  46  38.688  -1.480  -1.480
  314   1HB   ALA  46           HB1      ALA  46  40.627  -1.109  -1.109
  315   2HB   ALA  46           HB3      ALA  46  39.560  -1.662  -1.662
  316   3HB   ALA  46           HB2      ALA  46  39.980  -2.749  -2.749
  317    H    ILE  47           HN       ILE  47  37.789  -1.556  -1.556
  318    HA   ILE  47           HA       ILE  47  35.876  -3.640  -3.640
  319    HB   ILE  47           HB       ILE  47  37.015  -2.963  -2.963
  320   1HG1  ILE  47          HG12      ILE  47  33.988  -3.023  -3.023
  321   2HG1  ILE  47          HG11      ILE  47  35.059  -4.416  -4.416
  322   1HG2  ILE  47          HG23      ILE  47  35.805  -0.471  -0.471
  323   2HG2  ILE  47          HG22      ILE  47  35.108  -1.042  -1.042
  324   3HG2  ILE  47          HG21      ILE  47  36.855  -0.852  -0.852
  325   1HD1  ILE  47          HD11      ILE  47  36.054  -3.245  -3.245
  326   2HD1  ILE  47          HD13      ILE  47  34.647  -2.187  -2.187
  327   3HD1  ILE  47          HD12      ILE  47  34.431  -3.912  -3.912
  328    H    ILE  48           HN       ILE  48  35.723  -0.341  -0.341
  329    HA   ILE  48           HA       ILE  48  32.860   0.025   0.025
  330    HB   ILE  48           HB       ILE  48  35.007   1.585   1.585
  331   1HG1  ILE  48          HG12      ILE  48  33.240   2.286   2.286
  332   2HG1  ILE  48          HG11      ILE  48  34.893   1.694   1.694
  333   1HG2  ILE  48          HG23      ILE  48  32.253   1.583   1.583
  334   2HG2  ILE  48          HG22      ILE  48  32.537   3.032   3.032
  335   3HG2  ILE  48          HG21      ILE  48  33.462   2.761   2.761
  336   1HD1  ILE  48          HD13      ILE  48  35.642   3.634   3.634
  337   2HD1  ILE  48          HD12      ILE  48  33.988   4.245   4.245
  338   3HD1  ILE  48          HD11      ILE  48  34.919   4.125   4.125
  339    H    TYR  49           HN       TYR  49  35.034  -1.071  -1.071
  340    HA   TYR  49           HA       TYR  49  32.793  -1.388  -1.388
  341   1HB   TYR  49           HB2      TYR  49  34.902  -0.537  -0.537
  342   2HB   TYR  49           HB1      TYR  49  35.765  -1.936  -1.936
  343    HD1  TYR  49           HD1      TYR  49  35.269  -4.224  -4.224
  344    HD2  TYR  49           HD2      TYR  49  33.564  -0.696  -0.696
  345    HE1  TYR  49           HE1      TYR  49  34.643  -5.528  -5.528
  346    HE2  TYR  49           HE2      TYR  49  32.937  -1.999  -1.999
  347    HH   TYR  49           HH       TYR  49  32.848  -4.019  -4.019
  348    H    GLN  50           HN       GLN  50  34.520  -3.094  -3.094
  349    HA   GLN  50           HA       GLN  50  33.895  -5.750  -5.750
  350   1HB   GLN  50           HB2      GLN  50  35.934  -6.000  -6.000
  351   2HB   GLN  50           HB1      GLN  50  35.667  -4.656  -4.656
  352   1HG   GLN  50           HG2      GLN  50  35.593  -6.326  -6.326
  353   2HG   GLN  50           HG1      GLN  50  33.916  -6.452  -6.452
  354   1HE2  GLN  50          HE22      GLN  50  34.841  -9.886  -9.886
  355   2HE2  GLN  50          HE21      GLN  50  34.134  -8.809  -8.809
  356    H    VAL  51           HN       VAL  51  32.439  -3.352  -3.352
  357    HA   VAL  51           HA       VAL  51  30.657  -5.251  -5.251
  358    HB   VAL  51           HB       VAL  51  31.128  -2.270  -2.270
  359   1HG1  VAL  51          HG13      VAL  51  29.036  -4.049  -4.049
  360   2HG1  VAL  51          HG12      VAL  51  29.532  -2.527  -2.527
  361   3HG1  VAL  51          HG11      VAL  51  28.801  -2.531  -2.531
  362   1HG2  VAL  51          HG22      VAL  51  32.711  -4.066  -4.066
  363   2HG2  VAL  51          HG21      VAL  51  32.146  -2.750  -2.750
  364   3HG2  VAL  51          HG23      VAL  51  31.390  -4.340  -4.340
  365    H    GLN  52           HN       GLN  52  30.624  -2.420  -2.420
  366    HA   GLN  52           HA       GLN  52  27.827  -2.212  -2.212
  367   1HB   GLN  52           HB2      GLN  52  30.204  -1.097  -1.097
  368   2HB   GLN  52           HB1      GLN  52  29.088  -1.506  -1.506
  369   1HG   GLN  52           HG2      GLN  52  27.484  -0.011  -0.011
  370   2HG   GLN  52           HG1      GLN  52  27.947  -0.157  -0.157
  371   1HE2  GLN  52          HE22      GLN  52  30.785   2.004   2.004
  372   2HE2  GLN  52          HE21      GLN  52  30.497   0.368   0.368
  373    H    HIS  53           HN       HIS  53  29.980  -4.633  -4.633
  374    HA   HIS  53           HA       HIS  53  27.868  -5.819  -5.819
  375   1HB   HIS  53           HB2      HIS  53  30.476  -5.992  -5.992
  376   2HB   HIS  53           HB1      HIS  53  28.929  -5.681  -5.681
  377    HD1  HIS  53           HD1      HIS  53  29.083  -3.492  -3.492
  378    HD2  HIS  53           HD2      HIS  53  31.077  -3.373  -3.373
  379    HE1  HIS  53           HE1      HIS  53  29.964  -1.130  -1.130
  380    H    GLY  54           HN       GLY  54  29.532  -6.198  -6.198
  381   1HA   GLY  54           HA2      GLY  54  30.509  -8.033  -8.033
  382   2HA   GLY  54           HA1      GLY  54  29.749  -9.016  -9.016
  383    H    LYS  55           HN       LYS  55  31.286 -10.223 -10.223
  384    HA   LYS  55           HA       LYS  55  33.134  -9.709  -9.709
  385   1HB   LYS  55           HB2      LYS  55  34.088  -8.587  -8.587
  386   2HB   LYS  55           HB1      LYS  55  35.227  -9.717  -9.717
  387   1HG   LYS  55           HG2      LYS  55  35.211  -7.122  -7.122
  388   2HG   LYS  55           HG1      LYS  55  35.648  -8.398  -8.398
  389   1HD   LYS  55           HD2      LYS  55  32.757  -7.887  -7.887
  390   2HD   LYS  55           HD1      LYS  55  33.691  -6.467  -6.467
  391   1HE   LYS  55           HE2      LYS  55  34.570  -7.496  -7.496
  392   2HE   LYS  55           HE1      LYS  55  34.359  -9.119  -9.119
  393   1HZ   LYS  55           HZ1      LYS  55  31.869  -8.532  -8.532
  394   2HZ   LYS  55           HZ3      LYS  55  32.349  -7.331  -7.331
  395   3HZ   LYS  55           HZ2      LYS  55  32.667  -8.965  -8.965
  396    H    ASN  56           HN       ASN  56  34.161 -11.560 -11.560
  397    HA   ASN  56           HA       ASN  56  34.596 -13.854 -13.854
  398   1HB   ASN  56           HB2      ASN  56  35.329 -13.093 -13.093
  399   2HB   ASN  56           HB1      ASN  56  35.629 -14.699 -14.699
  400   1HD2  ASN  56          HD22      ASN  56  37.809 -11.505 -11.505
  401   2HD2  ASN  56          HD21      ASN  56  36.332 -11.221 -11.221
  402    H    ALA  57           HN       ALA  57  33.655 -13.913 -13.913
  403    HA   ALA  57           HA       ALA  57  31.117 -15.272 -15.272
  404   1HB   ALA  57           HB1      ALA  57  33.263 -16.149 -16.149
  405   2HB   ALA  57           HB3      ALA  57  31.589 -16.572 -16.572
  406   3HB   ALA  57           HB2      ALA  57  32.325 -17.105 -17.105
  407    H    MET  58           HN       MET  58  31.239 -12.521 -12.521
  408    HA   MET  58           HA       MET  58  29.870 -12.544 -12.544
  409   1HB   MET  58           HB2      MET  58  31.871 -11.405 -11.405
  410   2HB   MET  58           HB1      MET  58  31.838 -10.550 -10.550
  411   1HG   MET  58           HG2      MET  58  29.702  -9.406  -9.406
  412   2HG   MET  58           HG1      MET  58  30.088 -10.096 -10.096
  413   1HE   MET  58           HE2      MET  58  29.856  -7.805  -7.805
  414   2HE   MET  58           HE1      MET  58  30.996  -6.479  -6.479
  415   3HE   MET  58           HE3      MET  58  29.840  -6.867  -6.867
  416    HA   PRO  59           HA       PRO  59  26.485 -10.862 -10.862
  417   1HB   PRO  59           HB2      PRO  59  25.061  -9.937  -9.937
  418   2HB   PRO  59           HB1      PRO  59  25.116 -11.633 -11.633
  419   1HG   PRO  59           HG2      PRO  59  26.456 -10.273 -10.273
  420   2HG   PRO  59           HG1      PRO  59  25.983 -11.968 -11.968
  421   1HD   PRO  59           HD2      PRO  59  28.587 -10.949 -10.949
  422   2HD   PRO  59           HD1      PRO  59  28.049 -12.551 -12.551
  423    H    ALA  60           HN       ALA  60  26.503  -8.999  -8.999
  424    HA   ALA  60           HA       ALA  60  27.681  -6.561  -6.561
  425   1HB   ALA  60           HB2      ALA  60  26.444  -7.174  -7.174
  426   2HB   ALA  60           HB1      ALA  60  24.926  -6.970  -6.970
  427   3HB   ALA  60           HB3      ALA  60  25.977  -5.582  -5.582
  428    H    PHE  61           HN       PHE  61  26.632  -4.453  -4.453
  429    HA   PHE  61           HA       PHE  61  24.468  -4.750  -4.750
  430   1HB   PHE  61           HB2      PHE  61  27.266  -3.985  -3.985
  431   2HB   PHE  61           HB1      PHE  61  25.932  -3.243  -3.243
  432    HD1  PHE  61           HD1      PHE  61  24.167  -4.765  -4.765
  433    HD2  PHE  61           HD2      PHE  61  27.941  -6.210  -6.210
  434    HE1  PHE  61           HE1      PHE  61  23.872  -6.842  -6.842
  435    HE2  PHE  61           HE2      PHE  61  27.650  -8.289  -8.289
  436    HZ   PHE  61           HZ       PHE  61  25.614  -8.603  -8.603
  437    H    ALA  62           HN       ALA  62  25.424  -3.277  -3.277
  438    HA   ALA  62           HA       ALA  62  25.382  -0.511  -0.511
  439   1HB   ALA  62           HB3      ALA  62  25.359  -2.171  -2.171
  440   2HB   ALA  62           HB2      ALA  62  23.834  -1.293  -1.293
  441   3HB   ALA  62           HB1      ALA  62  25.356  -0.407  -0.407
  442    H    GLY  63           HN       GLY  63  22.860  -2.848  -2.848
  443   1HA   GLY  63           HA2      GLY  63  21.048  -0.662  -0.662
  444   2HA   GLY  63           HA1      GLY  63  20.458  -1.748  -1.748
  445    H    ARG  64           HN       ARG  64  22.559  -2.951  -2.951
  446    HA   ARG  64           HA       ARG  64  20.255  -4.511  -4.511
  447   1HB   ARG  64           HB2      ARG  64  23.167  -4.989  -4.989
  448   2HB   ARG  64           HB1      ARG  64  22.446  -5.562  -5.562
  449   1HG   ARG  64           HG2      ARG  64  21.454  -6.218  -6.218
  450   2HG   ARG  64           HG1      ARG  64  22.375  -7.306  -7.306
  451   1HD   ARG  64           HD2      ARG  64  20.509  -6.831  -6.831
  452   2HD   ARG  64           HD1      ARG  64  19.574  -6.273  -6.273
  453    HE   ARG  64           HE       ARG  64  20.235  -8.657  -8.657
  454   1HH1  ARG  64          HH11      ARG  64  18.589  -7.683  -7.683
  455   2HH1  ARG  64          HH12      ARG  64  18.421  -9.274  -9.274
  456   1HH2  ARG  64          HH21      ARG  64  20.438 -10.771 -10.771
  457   2HH2  ARG  64          HH22      ARG  64  19.470 -11.023 -11.023
  458    H    LEU  65           HN       LEU  65  22.986  -2.447  -2.447
  459    HA   LEU  65           HA       LEU  65  21.984  -1.983  -1.983
  460   1HB   LEU  65           HB2      LEU  65  24.540  -0.809  -0.809
  461   2HB   LEU  65           HB1      LEU  65  24.136  -1.350  -1.350
  462    HG   LEU  65           HG       LEU  65  24.680  -3.103  -3.103
  463   1HD1  LEU  65          HD11      LEU  65  26.365  -1.950  -1.950
  464   2HD1  LEU  65          HD13      LEU  65  26.259  -3.679  -3.679
  465   3HD1  LEU  65          HD12      LEU  65  26.802  -3.117  -3.117
  466   1HD2  LEU  65          HD21      LEU  65  23.493  -3.632  -3.632
  467   2HD2  LEU  65          HD23      LEU  65  23.105  -4.372  -4.372
  468   3HD2  LEU  65          HD22      LEU  65  24.567  -4.850  -4.850
  469    H    THR  66           HN       THR  66  23.294   0.527   0.527
  470    HA   THR  66           HA       THR  66  21.308   2.213   2.213
  471    HB   THR  66           HB       THR  66  23.095   2.732   2.732
  472    HG1  THR  66           HG1      THR  66  21.306   2.409   2.409
  473   1HG2  THR  66          HG22      THR  66  21.119   4.499   4.499
  474   2HG2  THR  66          HG21      THR  66  21.605   4.786   4.786
  475   3HG2  THR  66          HG23      THR  66  22.807   4.844   4.844
  476    H    ASP  67           HN       ASP  67  22.332   4.520   4.520
  477    HA   ASP  67           HA       ASP  67  24.489   4.060   4.060
  478   1HB   ASP  67           HB2      ASP  67  22.740   6.330   6.330
  479   2HB   ASP  67           HB1      ASP  67  24.332   6.773   6.773
  480    H    GLU  68           HN       GLU  68  24.160   6.146   6.146
  481    HA   GLU  68           HA       GLU  68  26.950   6.748   6.748
  482   1HB   GLU  68           HB2      GLU  68  24.754   6.572   6.572
  483   2HB   GLU  68           HB1      GLU  68  26.278   7.461   7.461
  484   1HG   GLU  68           HG2      GLU  68  25.632   9.109   9.109
  485   2HG   GLU  68           HG1      GLU  68  24.455   8.058   8.058
  486    H    GLN  69           HN       GLN  69  25.537   3.802   3.802
  487    HA   GLN  69           HA       GLN  69  27.115   2.723   2.723
  488   1HB   GLN  69           HB2      GLN  69  24.639   2.008   2.008
  489   2HB   GLN  69           HB1      GLN  69  25.605   0.666   0.666
  490   1HG   GLN  69           HG2      GLN  69  23.907   1.408   1.408
  491   2HG   GLN  69           HG1      GLN  69  25.546   1.674   1.674
  492   1HE2  GLN  69          HE22      GLN  69  25.257   5.199   5.199
  493   2HE2  GLN  69          HE21      GLN  69  26.388   3.947   3.947
  494    H    ILE  70           HN       ILE  70  26.439   2.292   2.292
  495    HA   ILE  70           HA       ILE  70  28.383   0.212   0.212
  496    HB   ILE  70           HB       ILE  70  27.810   2.464   2.464
  497   1HG1  ILE  70          HG12      ILE  70  25.647   1.646   1.646
  498   2HG1  ILE  70          HG11      ILE  70  26.129   0.706   0.706
  499   1HG2  ILE  70          HG22      ILE  70  29.630   0.429   0.429
  500   2HG2  ILE  70          HG21      ILE  70  28.225  -0.320  -0.320
  501   3HG2  ILE  70          HG23      ILE  70  28.885   1.182   1.182
  502   1HD1  ILE  70          HD13      ILE  70  26.882  -1.126  -1.126
  503   2HD1  ILE  70          HD12      ILE  70  26.325  -0.190  -0.190
  504   3HD1  ILE  70          HD11      ILE  70  25.165  -0.776  -0.776
  505    H    GLN  71           HN       GLN  71  28.511   3.502   3.502
  506    HA   GLN  71           HA       GLN  71  31.344   3.863   3.863
  507   1HB   GLN  71           HB2      GLN  71  29.112   5.590   5.590
  508   2HB   GLN  71           HB1      GLN  71  30.770   6.147   6.147
  509   1HG   GLN  71           HG2      GLN  71  29.913   4.918   4.918
  510   2HG   GLN  71           HG1      GLN  71  28.821   6.223   6.223
  511   1HE2  GLN  71          HE22      GLN  71  31.842   8.470   8.470
  512   2HE2  GLN  71          HE21      GLN  71  30.767   7.863   7.863
  513    H    ASP  72           HN       ASP  72  29.338   4.753   4.753
  514    HA   ASP  72           HA       ASP  72  31.097   4.790   4.790
  515   1HB   ASP  72           HB2      ASP  72  28.255   3.788   3.788
  516   2HB   ASP  72           HB1      ASP  72  29.147   3.791   3.791
  517    H    VAL  73           HN       VAL  73  29.345   1.894   1.894
  518    HA   VAL  73           HA       VAL  73  30.596   0.033   0.033
  519    HB   VAL  73           HB       VAL  73  29.694  -0.590  -0.590
  520   1HG1  VAL  73          HG12      VAL  73  30.725  -2.366  -2.366
  521   2HG1  VAL  73          HG11      VAL  73  29.425  -2.113  -2.113
  522   3HG1  VAL  73          HG13      VAL  73  29.055  -2.711  -2.711
  523   1HG2  VAL  73          HG23      VAL  73  28.192   0.789   0.789
  524   2HG2  VAL  73          HG22      VAL  73  27.587   0.007   0.007
  525   3HG2  VAL  73          HG21      VAL  73  27.630  -0.878  -0.878
  526    H    ALA  74           HN       ALA  74  31.426   1.126   1.126
  527    HA   ALA  74           HA       ALA  74  33.648  -0.629  -0.629
  528   1HB   ALA  74           HB1      ALA  74  32.971   2.104   2.104
  529   2HB   ALA  74           HB3      ALA  74  34.532   1.369   1.369
  530   3HB   ALA  74           HB2      ALA  74  33.041   0.568   0.568
  531    H    ALA  75           HN       ALA  75  33.807   2.817   2.817
  532    HA   ALA  75           HA       ALA  75  36.436   2.770   2.770
  533   1HB   ALA  75           HB1      ALA  75  34.013   4.516   4.516
  534   2HB   ALA  75           HB3      ALA  75  35.524   4.788   4.788
  535   3HB   ALA  75           HB2      ALA  75  35.488   4.909   4.909
  536    H    TYR  76           HN       TYR  76  33.455   1.505   1.505
  537    HA   TYR  76           HA       TYR  76  33.871   1.559   1.559
  538   1HB   TYR  76           HB2      TYR  76  31.638   1.040   1.040
  539   2HB   TYR  76           HB1      TYR  76  32.310  -0.422  -0.422
  540    HD1  TYR  76           HD1      TYR  76  31.455   1.178   1.178
  541    HD2  TYR  76           HD2      TYR  76  32.700  -2.377  -2.377
  542    HE1  TYR  76           HE1      TYR  76  31.002  -0.050  -0.050
  543    HE2  TYR  76           HE2      TYR  76  32.239  -3.667  -3.667
  544    HH   TYR  76           HH       TYR  76  31.572  -2.076  -2.076
  545    H    VAL  77           HN       VAL  77  34.693  -0.721  -0.721
  546    HA   VAL  77           HA       VAL  77  35.904  -2.635  -2.635
  547    HB   VAL  77           HB       VAL  77  36.183  -2.261  -2.261
  548   1HG1  VAL  77          HG12      VAL  77  37.226  -4.288  -4.288
  549   2HG1  VAL  77          HG11      VAL  77  36.687  -4.854  -4.854
  550   3HG1  VAL  77          HG13      VAL  77  37.970  -3.651  -3.651
  551   1HG2  VAL  77          HG22      VAL  77  34.271  -3.777  -3.777
  552   2HG2  VAL  77          HG21      VAL  77  33.921  -2.741  -2.741
  553   3HG2  VAL  77          HG23      VAL  77  34.617  -4.340  -4.340
  554    H    LEU  78           HN       LEU  78  36.861   0.263   0.263
  555    HA   LEU  78           HA       LEU  78  39.737  -0.259  -0.259
  556   1HB   LEU  78           HB2      LEU  78  38.714   2.459   2.459
  557   2HB   LEU  78           HB1      LEU  78  40.118   1.596   1.596
  558    HG   LEU  78           HG       LEU  78  37.212   1.193   1.193
  559   1HD1  LEU  78          HD13      LEU  78  38.646   2.944   2.944
  560   2HD1  LEU  78          HD12      LEU  78  39.661   1.622   1.622
  561   3HD1  LEU  78          HD11      LEU  78  37.971   1.718   1.718
  562   1HD2  LEU  78          HD22      LEU  78  39.495  -0.694  -0.694
  563   2HD2  LEU  78          HD21      LEU  78  37.764  -1.019  -1.019
  564   3HD2  LEU  78          HD23      LEU  78  38.484  -0.585  -0.585
  565    H    ASP  79           HN       ASP  79  37.128   0.838   0.838
  566    HA   ASP  79           HA       ASP  79  38.753   2.621   2.621
  567   1HB   ASP  79           HB2      ASP  79  36.219   2.845   2.845
  568   2HB   ASP  79           HB1      ASP  79  35.935   1.972   1.972
  569    H    GLN  80           HN       GLN  80  36.991  -0.395  -0.395
  570    HA   GLN  80           HA       GLN  80  37.407  -0.940  -0.940
  571   1HB   GLN  80           HB2      GLN  80  36.607  -2.879  -2.879
  572   2HB   GLN  80           HB1      GLN  80  36.263  -2.989  -2.989
  573   1HG   GLN  80           HG2      GLN  80  35.320  -0.501  -0.501
  574   2HG   GLN  80           HG1      GLN  80  34.542  -1.962  -1.962
  575   1HE2  GLN  80          HE22      GLN  80  33.566  -0.601  -0.601
  576   2HE2  GLN  80          HE21      GLN  80  34.575   0.276   0.276
  577    H    ALA  81           HN       ALA  81  38.785  -2.074  -2.074
  578    HA   ALA  81           HA       ALA  81  40.611  -3.937  -3.937
  579   1HB   ALA  81           HB3      ALA  81  39.837  -4.133  -4.133
  580   2HB   ALA  81           HB2      ALA  81  40.803  -2.711  -2.711
  581   3HB   ALA  81           HB1      ALA  81  41.589  -4.186  -4.186
  582    H    ALA  82           HN       ALA  82  40.595  -0.567  -0.567
  583    HA   ALA  82           HA       ALA  82  43.453  -0.217  -0.217
  584   1HB   ALA  82           HB1      ALA  82  41.154   1.709   1.709
  585   2HB   ALA  82           HB3      ALA  82  42.842   2.221   2.221
  586   3HB   ALA  82           HB2      ALA  82  42.136   1.455   1.455
  587    H    LYS  83           HN       LYS  83  41.616  -1.308  -1.308
  588    HA   LYS  83           HA       LYS  83  43.577  -0.578  -0.578
  589   1HB   LYS  83           HB2      LYS  83  42.349   0.992   0.992
  590   2HB   LYS  83           HB1      LYS  83  42.398   1.614   1.614
  591   1HG   LYS  83           HG2      LYS  83  40.135   0.157   0.157
  592   2HG   LYS  83           HG1      LYS  83  40.094   0.554   0.554
  593   1HD   LYS  83           HD2      LYS  83  40.561   2.648   2.648
  594   2HD   LYS  83           HD1      LYS  83  38.946   2.223   2.223
  595   1HE   LYS  83           HE2      LYS  83  40.857   2.696   2.696
  596   2HE   LYS  83           HE1      LYS  83  40.595   4.112   4.112
  597   1HZ   LYS  83           HZ3      LYS  83  38.117   2.926   2.926
  598   2HZ   LYS  83           HZ2      LYS  83  38.890   3.009   3.009
  599   3HZ   LYS  83           HZ1      LYS  83  38.671   4.417   4.417
  600    H    GLY  84           HN       GLY  84  42.441  -3.083  -3.083
  601   1HA   GLY  84           HA2      GLY  84  41.788  -4.842  -4.842
  602   2HA   GLY  84           HA1      GLY  84  41.328  -3.634  -3.634
  603    H    TRP  85           HN       TRP  85  40.376  -5.057  -5.057
  604    HA   TRP  85           HA       TRP  85  37.903  -4.047  -4.047
  605   1HB   TRP  85           HB2      TRP  85  39.160  -6.637  -6.637
  606   2HB   TRP  85           HB1      TRP  85  37.447  -6.840  -6.840
  607    HD1  TRP  85           HD1      TRP  85  39.768  -6.155  -6.155
  608    HE1  TRP  85           HE1      TRP  85  38.472  -5.342  -5.342
  609    HE3  TRP  85           HE3      TRP  85  35.265  -5.196  -5.196
  610    HZ2  TRP  85           HZ2      TRP  85  35.849  -4.431  -4.431
  611    HZ3  TRP  85           HZ3      TRP  85  33.379  -4.346  -4.346
  612    HH2  TRP  85           HH2      TRP  85  33.656  -3.934  -3.934
  613    H    ALA  86           HN       ALA  86  36.898  -3.196  -3.196
  614    HA   ALA  86           HA       ALA  86  36.263  -4.667  -4.667
  615   1HB   ALA  86           HB2      ALA  86  36.114  -2.096  -2.096
  616   2HB   ALA  86           HB1      ALA  86  34.468  -2.484  -2.484
  617   3HB   ALA  86           HB3      ALA  86  34.991  -2.823  -2.823
  618    H    GLY  87           HN       GLY  87  34.478  -4.175  -4.175
  619   1HA   GLY  87           HA2      GLY  87  32.465  -5.141  -5.141
  620   2HA   GLY  87           HA1      GLY  87  33.189  -6.615  -6.615
  621    HHA  HEC  88           HA       HEM  88  36.492 -10.503 -10.503
  622    HHB  HEC  88           HB       HEM  88  33.756  -5.578  -5.578
  623    HHC  HEC  88           HC       HEM  88  28.174  -8.609  -8.609
  624    HHD  HEC  88           HD       HEM  88  31.105 -13.759 -13.759
  625   1HMA  HEC  88          HMA1      HEM  88  36.637  -5.127  -5.127
  626   2HMA  HEC  88          HMA2      HEM  88  37.398  -6.099  -6.099
  627   3HMA  HEC  88          HMA3      HEM  88  35.794  -5.317  -5.317
  628   1HAA  HEC  88          HAA1      HEM  88  38.102  -9.229  -9.229
  629   2HAA  HEC  88          HAA2      HEM  88  38.347  -7.488  -7.488
  630   1HBA  HEC  88          HBA1      HEM  88  37.289  -8.560  -8.560
  631   2HBA  HEC  88          HBA2      HEM  88  37.618  -6.828  -6.828
  632   1HMB  HEC  88          HMB1      HEM  88  31.386  -4.855  -4.855
  633   2HMB  HEC  88          HMB2      HEM  88  30.572  -3.959  -3.959
  634   3HMB  HEC  88          HMB3      HEM  88  32.349  -4.283  -4.283
  635    HAB  HEC  88           HAB      HEM  88  27.816  -6.797  -6.797
  636   1HBB  HEC  88          HBB1      HEM  88  27.267  -4.938  -4.938
  637   2HBB  HEC  88          HBB2      HEM  88  28.967  -5.142  -5.142
  638   3HBB  HEC  88          HBB3      HEM  88  28.583  -3.925  -3.925
  639   1HMC  HEC  88          HMC1      HEM  88  26.625 -10.107 -10.107
  640   2HMC  HEC  88          HMC2      HEM  88  26.468 -11.905 -11.905
  641   3HMC  HEC  88          HMC3      HEM  88  26.874 -11.079 -11.079
  642    HAC  HEC  88           HAC      HEM  88  27.584 -13.611 -13.611
  643   1HBC  HEC  88          HBC1      HEM  88  27.948 -14.668 -14.668
  644   2HBC  HEC  88          HBC2      HEM  88  29.540 -13.838 -13.838
  645   3HBC  HEC  88          HBC3      HEM  88  29.433 -15.397 -15.397
  646   1HMD  HEC  88          HMD1      HEM  88  33.714 -14.874 -14.874
  647   2HMD  HEC  88          HMD2      HEM  88  34.026 -15.401 -15.401
  648   3HMD  HEC  88          HMD3      HEM  88  32.348 -14.967 -14.967
  649   1HAD  HEC  88          HAD1      HEM  88  36.156 -14.123 -14.123
  650   2HAD  HEC  88          HAD2      HEM  88  36.915 -12.519 -12.519
  651   1HBD  HEC  88          HBD1      HEM  88  35.989 -13.602 -13.602
  652   2HBD  HEC  88          HBD2      HEM  88  34.958 -12.170 -12.170

  Start of MODEL   12
    1   1H    ALA   1           HT2      ALA   1  33.000   8.484   8.484
    2   2H    ALA   1           HT1      ALA   1  33.568   9.410   9.410
    3   3H    ALA   1           HT3      ALA   1  32.027   8.707   8.707
    4    HA   ALA   1           HA       ALA   1  31.742  11.012  11.012
    5   1HB   ALA   1           HB1      ALA   1  34.169  10.611  10.611
    6   2HB   ALA   1           HB3      ALA   1  32.961  11.187  11.187
    7   3HB   ALA   1           HB2      ALA   1  33.325  12.129  12.129
    8    H    ASP   2           HN       ASP   2  32.292   9.081   9.081
    9    HA   ASP   2           HA       ASP   2  29.328   9.084   9.084
   10   1HB   ASP   2           HB2      ASP   2  30.182   9.047   9.047
   11   2HB   ASP   2           HB1      ASP   2  29.790  10.536  10.536
   12    H    LEU   3           HN       LEU   3  32.320   7.330   7.330
   13    HA   LEU   3           HA       LEU   3  31.370   5.147   5.147
   14   1HB   LEU   3           HB2      LEU   3  33.552   5.138   5.138
   15   2HB   LEU   3           HB1      LEU   3  33.317   3.919   3.919
   16    HG   LEU   3           HG       LEU   3  33.376   6.335   6.335
   17   1HD1  LEU   3          HD12      LEU   3  34.244   7.336   7.336
   18   2HD1  LEU   3          HD11      LEU   3  35.660   6.300   6.300
   19   3HD1  LEU   3          HD13      LEU   3  35.310   7.532   7.532
   20   1HD2  LEU   3          HD23      LEU   3  35.266   4.058   4.058
   21   2HD2  LEU   3          HD22      LEU   3  34.437   4.526   4.526
   22   3HD2  LEU   3          HD21      LEU   3  35.834   5.447   5.447
   23    H    ALA   4           HN       ALA   4  30.347   6.202   6.202
   24    HA   ALA   4           HA       ALA   4  30.018   3.723   3.723
   25   1HB   ALA   4           HB1      ALA   4  29.453   6.418   6.418
   26   2HB   ALA   4           HB3      ALA   4  27.867   5.646   5.646
   27   3HB   ALA   4           HB2      ALA   4  29.083   5.058   5.058
   28    H    ASN   5           HN       ASN   5  28.311   5.509   5.509
   29    HA   ASN   5           HA       ASN   5  25.930   3.879   3.879
   30   1HB   ASN   5           HB2      ASN   5  27.085   6.126   6.126
   31   2HB   ASN   5           HB1      ASN   5  26.508   4.939   4.939
   32   1HD2  ASN   5          HD22      ASN   5  23.782   7.296   7.296
   33   2HD2  ASN   5          HD21      ASN   5  25.432   7.665   7.665
   34    H    GLY   6           HN       GLY   6  29.182   3.636   3.636
   35   1HA   GLY   6           HA2      GLY   6  28.840   1.683   1.683
   36   2HA   GLY   6           HA1      GLY   6  30.328   1.958   1.958
   37    H    ALA   7           HN       ALA   7  30.044   1.148   1.148
   38    HA   ALA   7           HA       ALA   7  29.858  -1.644  -1.644
   39   1HB   ALA   7           HB1      ALA   7  30.167   0.422   0.422
   40   2HB   ALA   7           HB3      ALA   7  28.984  -0.747  -0.747
   41   3HB   ALA   7           HB2      ALA   7  30.598  -1.287  -1.287
   42    H    LYS   8           HN       LYS   8  27.319   0.754   0.754
   43    HA   LYS   8           HA       LYS   8  25.292  -0.942  -0.942
   44   1HB   LYS   8           HB2      LYS   8  24.873   1.409   1.409
   45   2HB   LYS   8           HB1      LYS   8  25.180   1.495   1.495
   46   1HG   LYS   8           HG2      LYS   8  23.052  -0.402  -0.402
   47   2HG   LYS   8           HG1      LYS   8  22.683   1.293   1.293
   48   1HD   LYS   8           HD2      LYS   8  23.427   0.019   0.019
   49   2HD   LYS   8           HD1      LYS   8  21.906   0.804   0.804
   50   1HE   LYS   8           HE2      LYS   8  23.860   2.727   2.727
   51   2HE   LYS   8           HE1      LYS   8  24.384   1.984   1.984
   52   1HZ   LYS   8           HZ3      LYS   8  21.662   3.052   3.052
   53   2HZ   LYS   8           HZ2      LYS   8  22.866   3.845   3.845
   54   3HZ   LYS   8           HZ1      LYS   8  22.203   2.386   2.386
   55    H    VAL   9           HN       VAL   9  26.331  -0.261  -0.261
   56    HA   VAL   9           HA       VAL   9  24.354  -2.059  -2.059
   57    HB   VAL   9           HB       VAL   9  26.644  -0.405  -0.405
   58   1HG1  VAL   9          HG13      VAL   9  26.892  -2.622  -2.622
   59   2HG1  VAL   9          HG12      VAL   9  25.228  -2.491  -2.491
   60   3HG1  VAL   9          HG11      VAL   9  26.440  -1.343  -1.343
   61   1HG2  VAL   9          HG21      VAL   9  23.674  -0.638  -0.638
   62   2HG2  VAL   9          HG23      VAL   9  24.626   0.800   0.800
   63   3HG2  VAL   9          HG22      VAL   9  24.646   0.113   0.113
   64    H    PHE  10           HN       PHE  10  27.931  -2.149  -2.149
   65    HA   PHE  10           HA       PHE  10  28.318  -4.702  -4.702
   66   1HB   PHE  10           HB2      PHE  10  30.183  -3.258  -3.258
   67   2HB   PHE  10           HB1      PHE  10  29.780  -3.328  -3.328
   68    HD1  PHE  10           HD1      PHE  10  29.723  -5.610  -5.610
   69    HD2  PHE  10           HD2      PHE  10  31.610  -4.904  -4.904
   70    HE1  PHE  10           HE1      PHE  10  31.014  -7.686  -7.686
   71    HE2  PHE  10           HE2      PHE  10  32.915  -6.999  -6.999
   72    HZ   PHE  10           HZ       PHE  10  32.622  -8.394  -8.394
   73    H    SER  11           HN       SER  11  26.938  -3.809  -3.809
   74    HA   SER  11           HA       SER  11  27.171  -6.525  -6.525
   75   1HB   SER  11           HB2      SER  11  26.249  -5.613  -5.613
   76   2HB   SER  11           HB1      SER  11  27.338  -4.373  -4.373
   77    HG   SER  11           HG       SER  11  25.488  -3.410  -3.410
   78    H    GLY  12           HN       GLY  12  25.558  -5.859  -5.859
   79   1HA   GLY  12           HA2      GLY  12  23.225  -7.416  -7.416
   80   2HA   GLY  12           HA1      GLY  12  22.844  -5.767  -5.767
   81    H    ASN  13           HN       ASN  13  25.608  -6.997  -6.997
   82    HA   ASN  13           HA       ASN  13  24.080  -8.235  -8.235
   83   1HB   ASN  13           HB2      ASN  13  25.550  -6.453  -6.453
   84   2HB   ASN  13           HB1      ASN  13  23.834  -6.272  -6.272
   85   1HD2  ASN  13          HD22      ASN  13  24.322  -3.525  -3.525
   86   2HD2  ASN  13          HD21      ASN  13  23.215  -4.635  -4.635
   87    H    CYS  14           HN       CYS  14  27.205  -7.022  -7.022
   88    HA   CYS  14           HA       CYS  14  28.619  -9.021  -9.021
   89   1HB   CYS  14           HB2      CYS  14  30.102  -7.362  -7.362
   90   2HB   CYS  14           HB1      CYS  14  30.530  -7.776  -7.776
   91    H    ALA  15           HN       ALA  15  27.740  -8.351  -8.351
   92    HA   ALA  15           HA       ALA  15  29.367  -9.953  -9.953
   93   1HB   ALA  15           HB1      ALA  15  26.388  -9.538  -9.538
   94   2HB   ALA  15           HB3      ALA  15  27.196 -10.566 -10.566
   95   3HB   ALA  15           HB2      ALA  15  27.629  -8.861  -8.861
   96    H    ALA  16           HN       ALA  16  26.621 -11.126 -11.126
   97    HA   ALA  16           HA       ALA  16  26.781 -13.854 -13.854
   98   1HB   ALA  16           HB2      ALA  16  26.011 -12.657 -12.657
   99   2HB   ALA  16           HB1      ALA  16  25.657 -14.305 -14.305
  100   3HB   ALA  16           HB3      ALA  16  24.924 -12.939 -12.939
  101    H    CYS  17           HN       CYS  17  28.495 -12.133 -12.133
  102    HA   CYS  17           HA       CYS  17  30.178 -14.568 -14.568
  103   1HB   CYS  17           HB2      CYS  17  29.824 -12.283 -12.283
  104   2HB   CYS  17           HB1      CYS  17  30.704 -13.773 -13.773
  105    H    HIS  18           HN       HIS  18  30.511 -12.411 -12.411
  106    HA   HIS  18           HA       HIS  18  33.371 -12.009 -12.009
  107   1HB   HIS  18           HB2      HIS  18  31.390  -9.732  -9.732
  108   2HB   HIS  18           HB1      HIS  18  33.069  -9.472  -9.472
  109    HD1  HIS  18           HD1      HIS  18  34.911 -10.093 -10.093
  110    HD2  HIS  18           HD2      HIS  18  31.046 -10.209 -10.209
  111    HE1  HIS  18           HE1      HIS  18  35.147 -10.174 -10.174
  112    H    MET  19           HN       MET  19  30.973 -10.146 -10.146
  113    HA   MET  19           HA       MET  19  30.733  -9.788  -9.788
  114   1HB   MET  19           HB2      MET  19  30.950 -12.597 -12.597
  115   2HB   MET  19           HB1      MET  19  31.684 -12.186 -12.186
  116   1HG   MET  19           HG2      MET  19  29.547 -10.757 -10.757
  117   2HG   MET  19           HG1      MET  19  28.855 -11.722 -11.722
  118   1HE   MET  19           HE2      MET  19  27.645 -11.403 -11.403
  119   2HE   MET  19           HE1      MET  19  27.493 -12.838 -12.838
  120   3HE   MET  19           HE3      MET  19  28.780 -11.664 -11.664
  121    H    GLY  20           HN       GLY  20  32.124  -8.410  -8.410
  122   1HA   GLY  20           HA2      GLY  20  34.192  -7.503  -7.503
  123   2HA   GLY  20           HA1      GLY  20  34.281  -9.042  -9.042
  124    H    GLY  21           HN       GLY  21  34.760  -7.847  -7.847
  125   1HA   GLY  21           HA2      GLY  21  36.288  -8.572  -8.572
  126   2HA   GLY  21           HA1      GLY  21  37.446  -8.312  -8.312
  127    H    GLY  22           HN       GLY  22  35.025 -10.754 -10.754
  128   1HA   GLY  22           HA2      GLY  22  37.092 -12.830 -12.830
  129   2HA   GLY  22           HA1      GLY  22  35.678 -12.981 -12.981
  130    H    ASN  23           HN       ASN  23  36.490 -12.527 -12.527
  131    HA   ASN  23           HA       ASN  23  34.041 -13.196 -13.196
  132   1HB   ASN  23           HB2      ASN  23  35.402 -14.185 -14.185
  133   2HB   ASN  23           HB1      ASN  23  35.862 -12.545 -12.545
  134   1HD2  ASN  23          HD22      ASN  23  39.087 -14.249 -14.249
  135   2HD2  ASN  23          HD21      ASN  23  37.941 -13.544 -13.544
  136    H    VAL  24           HN       VAL  24  33.424 -15.359 -15.359
  137    HA   VAL  24           HA       VAL  24  34.301 -17.624 -17.624
  138    HB   VAL  24           HB       VAL  24  32.068 -18.398 -18.398
  139   1HG1  VAL  24          HG12      VAL  24  32.316 -15.404 -15.404
  140   2HG1  VAL  24          HG11      VAL  24  30.845 -16.247 -16.247
  141   3HG1  VAL  24          HG13      VAL  24  32.380 -16.631 -16.631
  142   1HG2  VAL  24          HG22      VAL  24  31.422 -17.959 -17.959
  143   2HG2  VAL  24          HG21      VAL  24  30.176 -17.493 -17.493
  144   3HG2  VAL  24          HG23      VAL  24  31.198 -16.260 -16.260
  145    H    VAL  25           HN       VAL  25  32.962 -16.641 -16.641
  146    HA   VAL  25           HA       VAL  25  33.296 -19.339 -19.339
  147    HB   VAL  25           HB       VAL  25  32.881 -16.850 -16.850
  148   1HG1  VAL  25          HG13      VAL  25  32.171 -19.777 -19.777
  149   2HG1  VAL  25          HG12      VAL  25  31.325 -18.576 -18.576
  150   3HG1  VAL  25          HG11      VAL  25  33.066 -18.791 -18.791
  151   1HG2  VAL  25          HG23      VAL  25  30.964 -18.189 -18.189
  152   2HG2  VAL  25          HG22      VAL  25  31.244 -16.467 -16.467
  153   3HG2  VAL  25          HG21      VAL  25  30.368 -17.407 -17.407
  154    H    MET  26           HN       MET  26  34.932 -16.193 -16.193
  155    HA   MET  26           HA       MET  26  36.870 -16.932 -16.932
  156   1HB   MET  26           HB2      MET  26  37.039 -14.950 -14.950
  157   2HB   MET  26           HB1      MET  26  38.224 -15.065 -15.065
  158   1HG   MET  26           HG2      MET  26  36.900 -13.594 -13.594
  159   2HG   MET  26           HG1      MET  26  35.818 -14.959 -14.959
  160   1HE   MET  26           HE1      MET  26  36.646 -11.872 -11.872
  161   2HE   MET  26           HE3      MET  26  35.151 -11.155 -11.155
  162   3HE   MET  26           HE2      MET  26  36.314 -11.872 -11.872
  163    H    ALA  27           HN       ALA  27  37.235 -16.805 -16.805
  164    HA   ALA  27           HA       ALA  27  38.486 -18.219 -18.219
  165   1HB   ALA  27           HB1      ALA  27  37.993 -19.816 -19.816
  166   2HB   ALA  27           HB3      ALA  27  39.692 -20.016 -20.016
  167   3HB   ALA  27           HB2      ALA  27  38.435 -20.360 -20.360
  168    H    ASN  28           HN       ASN  28  39.545 -15.893 -15.893
  169    HA   ASN  28           HA       ASN  28  42.238 -16.012 -16.012
  170   1HB   ASN  28           HB2      ASN  28  43.474 -16.368 -16.368
  171   2HB   ASN  28           HB1      ASN  28  42.266 -17.657 -17.657
  172   1HD2  ASN  28          HD22      ASN  28  40.250 -16.016 -16.016
  173   2HD2  ASN  28          HD21      ASN  28  40.032 -16.791 -16.791
  174    H    LYS  29           HN       LYS  29  39.930 -14.647 -14.647
  175    HA   LYS  29           HA       LYS  29  41.388 -12.076 -12.076
  176   1HB   LYS  29           HB2      LYS  29  39.007 -13.194 -13.194
  177   2HB   LYS  29           HB1      LYS  29  39.271 -11.451 -11.451
  178   1HG   LYS  29           HG2      LYS  29  41.540 -11.768 -11.768
  179   2HG   LYS  29           HG1      LYS  29  41.290 -13.514 -13.514
  180   1HD   LYS  29           HD2      LYS  29  39.103 -12.150 -12.150
  181   2HD   LYS  29           HD1      LYS  29  40.650 -11.694 -11.694
  182   1HE   LYS  29           HE2      LYS  29  40.640 -13.659 -13.659
  183   2HE   LYS  29           HE1      LYS  29  40.815 -14.471 -14.471
  184   1HZ   LYS  29           HZ3      LYS  29  38.154 -13.574 -13.574
  185   2HZ   LYS  29           HZ2      LYS  29  38.800 -14.996 -14.996
  186   3HZ   LYS  29           HZ1      LYS  29  38.580 -14.870 -14.870
  187    H    THR  30           HN       THR  30  40.781 -12.419 -12.419
  188    HA   THR  30           HA       THR  30  38.132 -11.645 -11.645
  189    HB   THR  30           HB       THR  30  40.654 -11.122 -11.122
  190    HG1  THR  30           HG1      THR  30  40.907 -13.199 -13.199
  191   1HG2  THR  30          HG23      THR  30  37.772 -11.300 -11.300
  192   2HG2  THR  30          HG22      THR  30  38.752 -12.254 -12.254
  193   3HG2  THR  30          HG21      THR  30  39.042 -10.523 -10.523
  194    H    LEU  31           HN       LEU  31  38.014  -9.498  -9.498
  195    HA   LEU  31           HA       LEU  31  38.814  -7.278  -7.278
  196   1HB   LEU  31           HB2      LEU  31  37.011  -7.120  -7.120
  197   2HB   LEU  31           HB1      LEU  31  37.145  -5.967  -5.967
  198    HG   LEU  31           HG       LEU  31  35.581  -8.460  -8.460
  199   1HD1  LEU  31          HD11      LEU  31  35.244  -5.766  -5.766
  200   2HD1  LEU  31          HD13      LEU  31  35.049  -6.672  -6.672
  201   3HD1  LEU  31          HD12      LEU  31  34.036  -7.047  -7.047
  202   1HD2  LEU  31          HD22      LEU  31  37.490  -7.980  -7.980
  203   2HD2  LEU  31          HD21      LEU  31  36.879  -9.503  -9.503
  204   3HD2  LEU  31          HD23      LEU  31  35.865  -8.518  -8.518
  205    H    LYS  32           HN       LYS  32  39.836  -8.745  -8.745
  206    HA   LYS  32           HA       LYS  32  40.481  -6.683  -6.683
  207   1HB   LYS  32           HB2      LYS  32  42.732  -8.028  -8.028
  208   2HB   LYS  32           HB1      LYS  32  41.186  -8.709  -8.709
  209   1HG   LYS  32           HG2      LYS  32  41.522  -9.409  -9.409
  210   2HG   LYS  32           HG1      LYS  32  43.062  -9.722  -9.722
  211   1HD   LYS  32           HD2      LYS  32  40.472 -10.589 -10.589
  212   2HD   LYS  32           HD1      LYS  32  41.265 -11.599 -11.599
  213   1HE   LYS  32           HE2      LYS  32  43.367 -10.933 -10.933
  214   2HE   LYS  32           HE1      LYS  32  42.036 -11.056 -11.056
  215   1HZ   LYS  32           HZ1      LYS  32  41.501 -13.233 -13.233
  216   2HZ   LYS  32           HZ3      LYS  32  42.958 -13.117 -13.117
  217   3HZ   LYS  32           HZ2      LYS  32  42.977 -13.200 -13.200
  218    H    LYS  33           HN       LYS  33  43.107  -7.855  -7.855
  219    HA   LYS  33           HA       LYS  33  43.607  -5.517  -5.517
  220   1HB   LYS  33           HB2      LYS  33  43.983  -4.021  -4.021
  221   2HB   LYS  33           HB1      LYS  33  44.298  -5.284  -5.284
  222   1HG   LYS  33           HG2      LYS  33  46.563  -5.374  -5.374
  223   2HG   LYS  33           HG1      LYS  33  46.337  -4.811  -4.811
  224   1HD   LYS  33           HD2      LYS  33  47.197  -2.882  -2.882
  225   2HD   LYS  33           HD1      LYS  33  45.483  -2.617  -2.617
  226   1HE   LYS  33           HE2      LYS  33  46.177  -4.125  -4.125
  227   2HE   LYS  33           HE1      LYS  33  47.689  -3.262  -3.262
  228   1HZ   LYS  33           HZ3      LYS  33  45.183  -1.746  -1.746
  229   2HZ   LYS  33           HZ2      LYS  33  45.798  -2.217  -2.217
  230   3HZ   LYS  33           HZ1      LYS  33  46.734  -1.249  -1.249
  231    H    GLU  34           HN       GLU  34  45.273  -7.878  -7.878
  232    HA   GLU  34           HA       GLU  34  47.730  -7.954  -7.954
  233   1HB   GLU  34           HB2      GLU  34  48.088 -10.090 -10.090
  234   2HB   GLU  34           HB1      GLU  34  47.141  -9.119  -9.119
  235   1HG   GLU  34           HG2      GLU  34  45.065 -10.193 -10.193
  236   2HG   GLU  34           HG1      GLU  34  46.167 -11.329 -11.329
  237    H    ALA  35           HN       ALA  35  44.658  -9.285  -9.285
  238    HA   ALA  35           HA       ALA  35  45.963 -10.786 -10.786
  239   1HB   ALA  35           HB1      ALA  35  43.814 -11.404 -11.404
  240   2HB   ALA  35           HB3      ALA  35  43.061 -10.981 -10.981
  241   3HB   ALA  35           HB2      ALA  35  44.270 -12.264 -12.264
  242    H    LEU  36           HN       LEU  36  43.084  -8.684  -8.684
  243    HA   LEU  36           HA       LEU  36  42.634  -8.154  -8.154
  244   1HB   LEU  36           HB2      LEU  36  41.862  -5.849  -5.849
  245   2HB   LEU  36           HB1      LEU  36  41.091  -7.255  -7.255
  246    HG   LEU  36           HG       LEU  36  43.582  -6.408  -6.408
  247   1HD1  LEU  36          HD12      LEU  36  41.785  -4.384  -4.384
  248   2HD1  LEU  36          HD11      LEU  36  41.462  -4.692  -4.692
  249   3HD1  LEU  36          HD13      LEU  36  43.089  -4.260  -4.260
  250   1HD2  LEU  36          HD21      LEU  36  40.945  -7.553  -7.553
  251   2HD2  LEU  36          HD23      LEU  36  42.502  -7.849  -7.849
  252   3HD2  LEU  36          HD22      LEU  36  41.547  -6.437  -6.437
  253    H    GLU  37           HN       GLU  37  45.153  -6.830  -6.830
  254    HA   GLU  37           HA       GLU  37  45.985  -4.998  -4.998
  255   1HB   GLU  37           HB2      GLU  37  47.053  -5.495  -5.495
  256   2HB   GLU  37           HB1      GLU  37  47.698  -4.280  -4.280
  257   1HG   GLU  37           HG2      GLU  37  45.668  -3.049  -3.049
  258   2HG   GLU  37           HG1      GLU  37  44.756  -4.395  -4.395
  259    H    GLN  38           HN       GLN  38  46.798  -8.124  -8.124
  260    HA   GLN  38           HA       GLN  38  49.460  -8.346  -8.346
  261   1HB   GLN  38           HB2      GLN  38  48.690 -10.020 -10.020
  262   2HB   GLN  38           HB1      GLN  38  47.165 -10.197 -10.197
  263   1HG   GLN  38           HG2      GLN  38  48.787 -12.054 -12.054
  264   2HG   GLN  38           HG1      GLN  38  48.234 -11.319 -11.319
  265   1HE2  GLN  38          HE22      GLN  38  51.850  -9.756  -9.756
  266   2HE2  GLN  38          HE21      GLN  38  50.501  -9.607  -9.607
  267    H    PHE  39           HN       PHE  39  46.310  -8.914  -8.914
  268    HA   PHE  39           HA       PHE  39  47.590  -9.504  -9.504
  269   1HB   PHE  39           HB2      PHE  39  44.744  -9.068  -9.068
  270   2HB   PHE  39           HB1      PHE  39  45.656 -10.524 -10.524
  271    HD1  PHE  39           HD1      PHE  39  46.293 -12.055 -12.055
  272    HD2  PHE  39           HD2      PHE  39  43.404  -8.887  -8.887
  273    HE1  PHE  39           HE1      PHE  39  45.322 -13.103 -13.103
  274    HE2  PHE  39           HE2      PHE  39  42.433  -9.927  -9.927
  275    HZ   PHE  39           HZ       PHE  39  43.387 -12.048 -12.048
  276    H    GLY  40           HN       GLY  40  44.792  -7.476  -7.476
  277   1HA   GLY  40           HA2      GLY  40  45.667  -4.927  -4.927
  278   2HA   GLY  40           HA1      GLY  40  45.584  -5.536  -5.536
  279    H    MET  41           HN       MET  41  43.671  -4.878  -4.878
  280    HA   MET  41           HA       MET  41  41.316  -4.248  -4.248
  281   1HB   MET  41           HB2      MET  41  39.906  -6.062  -6.062
  282   2HB   MET  41           HB1      MET  41  41.408  -6.819  -6.819
  283   1HG   MET  41           HG2      MET  41  42.120  -6.644  -6.644
  284   2HG   MET  41           HG1      MET  41  40.395  -6.417  -6.417
  285   1HE   MET  41           HE2      MET  41  39.538  -7.967  -7.967
  286   2HE   MET  41           HE1      MET  41  39.439  -9.702  -9.702
  287   3HE   MET  41           HE3      MET  41  40.878  -9.008  -9.008
  288    H    TYR  42           HN       TYR  42  43.067  -3.241  -3.241
  289    HA   TYR  42           HA       TYR  42  41.040  -3.077  -3.077
  290   1HB   TYR  42           HB2      TYR  42  43.322  -3.830  -3.830
  291   2HB   TYR  42           HB1      TYR  42  43.970  -2.299  -2.299
  292    HD1  TYR  42           HD1      TYR  42  40.741  -2.546  -2.546
  293    HD2  TYR  42           HD2      TYR  42  44.906  -1.550  -1.550
  294    HE1  TYR  42           HE1      TYR  42  40.326  -1.502  -1.502
  295    HE2  TYR  42           HE2      TYR  42  44.491  -0.503  -0.503
  296    HH   TYR  42           HH       TYR  42  43.000  -0.168  -0.168
  297    H    SER  43           HN       SER  43  41.220  -1.492  -1.492
  298    HA   SER  43           HA       SER  43  41.356   1.250   1.250
  299   1HB   SER  43           HB2      SER  43  42.221   0.119   0.119
  300   2HB   SER  43           HB1      SER  43  40.961   1.299   1.299
  301    HG   SER  43           HG       SER  43  42.849   2.421   2.421
  302    H    GLU  44           HN       GLU  44  39.569   2.645   2.645
  303    HA   GLU  44           HA       GLU  44  36.964   1.716   1.716
  304   1HB   GLU  44           HB2      GLU  44  38.241   4.279   4.279
  305   2HB   GLU  44           HB1      GLU  44  36.752   4.181   4.181
  306   1HG   GLU  44           HG2      GLU  44  35.420   3.983   3.983
  307   2HG   GLU  44           HG1      GLU  44  36.678   3.179   3.179
  308    H    ASP  45           HN       ASP  45  38.206   3.267   3.267
  309    HA   ASP  45           HA       ASP  45  36.117   2.533   2.533
  310   1HB   ASP  45           HB2      ASP  45  38.039   3.991   3.991
  311   2HB   ASP  45           HB1      ASP  45  38.991   2.525   2.525
  312    H    ALA  46           HN       ALA  46  38.763   0.494   0.494
  313    HA   ALA  46           HA       ALA  46  38.372  -1.651  -1.651
  314   1HB   ALA  46           HB3      ALA  46  39.498  -1.612  -1.612
  315   2HB   ALA  46           HB2      ALA  46  39.514  -3.040  -3.040
  316   3HB   ALA  46           HB1      ALA  46  40.401  -1.594  -1.594
  317    H    ILE  47           HN       ILE  47  37.684  -2.015  -2.015
  318    HA   ILE  47           HA       ILE  47  35.759  -4.056  -4.056
  319    HB   ILE  47           HB       ILE  47  36.924  -3.494  -3.494
  320   1HG1  ILE  47          HG12      ILE  47  33.903  -3.429  -3.429
  321   2HG1  ILE  47          HG11      ILE  47  34.920  -4.861  -4.861
  322   1HG2  ILE  47          HG21      ILE  47  36.681  -1.015  -1.015
  323   2HG2  ILE  47          HG23      ILE  47  34.972  -1.191  -1.191
  324   3HG2  ILE  47          HG22      ILE  47  36.204  -1.614  -1.614
  325   1HD1  ILE  47          HD11      ILE  47  35.894  -3.984  -3.984
  326   2HD1  ILE  47          HD13      ILE  47  34.822  -2.588  -2.588
  327   3HD1  ILE  47          HD12      ILE  47  34.149  -4.198  -4.198
  328    H    ILE  48           HN       ILE  48  35.500  -0.712  -0.712
  329    HA   ILE  48           HA       ILE  48  32.665  -0.420  -0.420
  330    HB   ILE  48           HB       ILE  48  34.753   1.207   1.207
  331   1HG1  ILE  48          HG12      ILE  48  32.864   1.897   1.897
  332   2HG1  ILE  48          HG11      ILE  48  34.468   1.214   1.214
  333   1HG2  ILE  48          HG23      ILE  48  31.762   1.649   1.649
  334   2HG2  ILE  48          HG22      ILE  48  32.931   2.922   2.922
  335   3HG2  ILE  48          HG21      ILE  48  32.807   1.521   1.521
  336   1HD1  ILE  48          HD12      ILE  48  35.124   3.222   3.222
  337   2HD1  ILE  48          HD11      ILE  48  33.687   3.931   3.931
  338   3HD1  ILE  48          HD13      ILE  48  35.043   3.437   3.437
  339    H    TYR  49           HN       TYR  49  34.661  -1.229  -1.229
  340    HA   TYR  49           HA       TYR  49  32.271  -1.524  -1.524
  341   1HB   TYR  49           HB2      TYR  49  34.204  -0.724  -0.724
  342   2HB   TYR  49           HB1      TYR  49  35.239  -1.956  -1.956
  343    HD1  TYR  49           HD1      TYR  49  32.534  -1.333  -1.333
  344    HD2  TYR  49           HD2      TYR  49  35.228  -4.242  -4.242
  345    HE1  TYR  49           HE1      TYR  49  31.955  -2.897  -2.897
  346    HE2  TYR  49           HE2      TYR  49  34.657  -5.807  -5.807
  347    HH   TYR  49           HH       TYR  49  33.326  -4.982  -4.982
  348    H    GLN  50           HN       GLN  50  33.994  -3.331  -3.331
  349    HA   GLN  50           HA       GLN  50  33.232  -5.914  -5.914
  350   1HB   GLN  50           HB2      GLN  50  35.371  -6.176  -6.176
  351   2HB   GLN  50           HB1      GLN  50  35.132  -5.008  -5.008
  352   1HG   GLN  50           HG2      GLN  50  35.179  -6.929  -6.929
  353   2HG   GLN  50           HG1      GLN  50  33.460  -6.908  -6.908
  354   1HE2  GLN  50          HE22      GLN  50  35.682  -9.366  -9.366
  355   2HE2  GLN  50          HE21      GLN  50  36.234  -7.793  -7.793
  356    H    VAL  51           HN       VAL  51  32.075  -3.552  -3.552
  357    HA   VAL  51           HA       VAL  51  30.302  -5.460  -5.460
  358    HB   VAL  51           HB       VAL  51  30.915  -2.524  -2.524
  359   1HG1  VAL  51          HG11      VAL  51  28.539  -3.018  -3.018
  360   2HG1  VAL  51          HG13      VAL  51  29.038  -4.319  -4.319
  361   3HG1  VAL  51          HG12      VAL  51  29.434  -2.645  -2.645
  362   1HG2  VAL  51          HG23      VAL  51  32.531  -4.416  -4.416
  363   2HG2  VAL  51          HG22      VAL  51  32.075  -3.197  -3.197
  364   3HG2  VAL  51          HG21      VAL  51  31.303  -4.781  -4.781
  365    H    GLN  52           HN       GLN  52  30.312  -2.664  -2.664
  366    HA   GLN  52           HA       GLN  52  27.506  -2.195  -2.195
  367   1HB   GLN  52           HB2      GLN  52  29.857  -1.180  -1.180
  368   2HB   GLN  52           HB1      GLN  52  28.721  -1.572  -1.572
  369   1HG   GLN  52           HG2      GLN  52  27.143  -0.042  -0.042
  370   2HG   GLN  52           HG1      GLN  52  27.680  -0.136  -0.136
  371   1HE2  GLN  52          HE22      GLN  52  30.529   2.095   2.095
  372   2HE2  GLN  52          HE21      GLN  52  30.235   0.601   0.601
  373    H    HIS  53           HN       HIS  53  29.451  -4.722  -4.722
  374    HA   HIS  53           HA       HIS  53  27.196  -5.870  -5.870
  375   1HB   HIS  53           HB2      HIS  53  29.018  -6.018  -6.018
  376   2HB   HIS  53           HB1      HIS  53  27.544  -5.073  -5.073
  377    HD1  HIS  53           HD1      HIS  53  28.635  -3.270  -3.270
  378    HD2  HIS  53           HD2      HIS  53  30.472  -3.661  -3.661
  379    HE1  HIS  53           HE1      HIS  53  30.096  -1.227  -1.227
  380    H    GLY  54           HN       GLY  54  28.889  -6.568  -6.568
  381   1HA   GLY  54           HA2      GLY  54  30.328  -8.297  -8.297
  382   2HA   GLY  54           HA1      GLY  54  29.404  -9.246  -9.246
  383    H    LYS  55           HN       LYS  55  30.824 -10.332 -10.332
  384    HA   LYS  55           HA       LYS  55  32.317  -9.694  -9.694
  385   1HB   LYS  55           HB2      LYS  55  33.616  -8.578  -8.578
  386   2HB   LYS  55           HB1      LYS  55  34.663  -9.723  -9.723
  387   1HG   LYS  55           HG2      LYS  55  34.685  -7.223  -7.223
  388   2HG   LYS  55           HG1      LYS  55  34.694  -8.506  -8.506
  389   1HD   LYS  55           HD2      LYS  55  31.960  -7.900  -7.900
  390   2HD   LYS  55           HD1      LYS  55  32.803  -6.387  -6.387
  391   1HE   LYS  55           HE2      LYS  55  33.557  -7.158  -7.158
  392   2HE   LYS  55           HE1      LYS  55  32.994  -8.796  -8.796
  393   1HZ   LYS  55           HZ2      LYS  55  31.025  -6.656  -6.656
  394   2HZ   LYS  55           HZ1      LYS  55  31.567  -7.050  -7.050
  395   3HZ   LYS  55           HZ3      LYS  55  30.853  -8.241  -8.241
  396    H    ASN  56           HN       ASN  56  32.785 -11.629 -11.629
  397    HA   ASN  56           HA       ASN  56  33.354 -13.887 -13.887
  398   1HB   ASN  56           HB2      ASN  56  34.621 -13.318 -13.318
  399   2HB   ASN  56           HB1      ASN  56  34.802 -14.839 -14.839
  400   1HD2  ASN  56          HD22      ASN  56  37.196 -11.790 -11.790
  401   2HD2  ASN  56          HD21      ASN  56  36.291 -11.869 -11.869
  402    H    ALA  57           HN       ALA  57  33.038 -13.990 -13.990
  403    HA   ALA  57           HA       ALA  57  30.425 -15.404 -15.404
  404   1HB   ALA  57           HB1      ALA  57  32.895 -16.235 -16.235
  405   2HB   ALA  57           HB3      ALA  57  31.367 -16.564 -16.564
  406   3HB   ALA  57           HB2      ALA  57  31.667 -17.223 -17.223
  407    H    MET  58           HN       MET  58  30.786 -12.611 -12.611
  408    HA   MET  58           HA       MET  58  29.851 -12.545 -12.545
  409   1HB   MET  58           HB2      MET  58  31.974 -11.341 -11.341
  410   2HB   MET  58           HB1      MET  58  31.196 -10.347 -10.347
  411   1HG   MET  58           HG2      MET  58  29.620  -9.487  -9.487
  412   2HG   MET  58           HG1      MET  58  30.390 -10.499 -10.499
  413   1HE   MET  58           HE1      MET  58  30.226  -8.073  -8.073
  414   2HE   MET  58           HE3      MET  58  31.196  -6.683  -6.683
  415   3HE   MET  58           HE2      MET  58  29.857  -7.248  -7.248
  416    HA   PRO  59           HA       PRO  59  25.971 -11.319 -11.319
  417   1HB   PRO  59           HB2      PRO  59  24.955 -10.199 -10.199
  418   2HB   PRO  59           HB1      PRO  59  25.014 -11.935 -11.935
  419   1HG   PRO  59           HG2      PRO  59  26.718 -10.276 -10.276
  420   2HG   PRO  59           HG1      PRO  59  26.323 -11.997 -11.997
  421   1HD   PRO  59           HD2      PRO  59  28.729 -10.930 -10.930
  422   2HD   PRO  59           HD1      PRO  59  28.195 -12.592 -12.592
  423    H    ALA  60           HN       ALA  60  26.183  -9.706  -9.706
  424    HA   ALA  60           HA       ALA  60  27.102  -7.076  -7.076
  425   1HB   ALA  60           HB3      ALA  60  25.323  -8.448  -8.448
  426   2HB   ALA  60           HB2      ALA  60  25.546  -6.700  -6.700
  427   3HB   ALA  60           HB1      ALA  60  26.936  -7.774  -7.774
  428    H    PHE  61           HN       PHE  61  26.187  -5.749  -5.749
  429    HA   PHE  61           HA       PHE  61  23.361  -5.881  -5.881
  430   1HB   PHE  61           HB2      PHE  61  25.482  -3.883  -3.883
  431   2HB   PHE  61           HB1      PHE  61  23.856  -3.982  -3.982
  432    HD1  PHE  61           HD1      PHE  61  23.138  -6.336  -6.336
  433    HD2  PHE  61           HD2      PHE  61  27.209  -5.122  -5.122
  434    HE1  PHE  61           HE1      PHE  61  23.862  -8.103  -8.103
  435    HE2  PHE  61           HE2      PHE  61  27.946  -6.892  -6.892
  436    HZ   PHE  61           HZ       PHE  61  26.267  -8.378  -8.378
  437    H    ALA  62           HN       ALA  62  25.567  -3.718  -3.718
  438    HA   ALA  62           HA       ALA  62  25.154  -1.894  -1.894
  439   1HB   ALA  62           HB2      ALA  62  24.347  -3.818  -3.818
  440   2HB   ALA  62           HB1      ALA  62  22.729  -3.571  -3.571
  441   3HB   ALA  62           HB3      ALA  62  23.473  -2.325  -2.325
  442    H    GLY  63           HN       GLY  63  23.730  -2.066  -2.066
  443   1HA   GLY  63           HA2      GLY  63  22.738   0.115   0.115
  444   2HA   GLY  63           HA1      GLY  63  21.628  -0.028  -0.028
  445    H    ARG  64           HN       ARG  64  22.817  -2.468  -2.468
  446    HA   ARG  64           HA       ARG  64  19.995  -3.196  -3.196
  447   1HB   ARG  64           HB2      ARG  64  22.041  -4.792  -4.792
  448   2HB   ARG  64           HB1      ARG  64  22.274  -4.830  -4.830
  449   1HG   ARG  64           HG2      ARG  64  19.921  -5.503  -5.503
  450   2HG   ARG  64           HG1      ARG  64  19.694  -5.474  -5.474
  451   1HD   ARG  64           HD2      ARG  64  21.637  -7.094  -7.094
  452   2HD   ARG  64           HD1      ARG  64  21.526  -7.263  -7.263
  453    HE   ARG  64           HE       ARG  64  19.355  -8.058  -8.058
  454   1HH1  ARG  64          HH21      ARG  64  17.614  -8.381  -8.381
  455   2HH1  ARG  64          HH22      ARG  64  18.103  -9.549  -9.549
  456   1HH2  ARG  64          HH11      ARG  64  21.447  -9.463  -9.463
  457   2HH2  ARG  64          HH12      ARG  64  20.273 -10.162 -10.162
  458    H    LEU  65           HN       LEU  65  23.207  -2.859  -2.859
  459    HA   LEU  65           HA       LEU  65  22.259  -2.623  -2.623
  460   1HB   LEU  65           HB2      LEU  65  24.718  -1.256  -1.256
  461   2HB   LEU  65           HB1      LEU  65  24.446  -1.793  -1.793
  462    HG   LEU  65           HG       LEU  65  25.667  -3.603  -3.603
  463   1HD1  LEU  65          HD12      LEU  65  23.101  -4.300  -4.300
  464   2HD1  LEU  65          HD11      LEU  65  23.527  -4.581  -4.581
  465   3HD1  LEU  65          HD13      LEU  65  24.383  -5.440  -5.440
  466   1HD2  LEU  65          HD21      LEU  65  26.083  -2.271  -2.271
  467   2HD2  LEU  65          HD23      LEU  65  26.450  -3.995  -3.995
  468   3HD2  LEU  65          HD22      LEU  65  24.957  -3.431  -3.431
  469    H    THR  66           HN       THR  66  23.653  -0.040  -0.040
  470    HA   THR  66           HA       THR  66  21.389   1.720   1.720
  471    HB   THR  66           HB       THR  66  23.688   2.259   2.259
  472    HG1  THR  66           HG1      THR  66  21.040   1.342   1.342
  473   1HG2  THR  66          HG23      THR  66  22.396   4.167   4.167
  474   2HG2  THR  66          HG22      THR  66  21.048   3.678   3.678
  475   3HG2  THR  66          HG21      THR  66  22.562   4.217   4.217
  476    H    ASP  67           HN       ASP  67  21.888   3.807   3.807
  477    HA   ASP  67           HA       ASP  67  23.854   3.642   3.642
  478   1HB   ASP  67           HB2      ASP  67  21.703   5.172   5.172
  479   2HB   ASP  67           HB1      ASP  67  22.873   6.303   6.303
  480    H    GLU  68           HN       GLU  68  23.688   5.622   5.622
  481    HA   GLU  68           HA       GLU  68  26.333   6.681   6.681
  482   1HB   GLU  68           HB2      GLU  68  24.674   7.742   7.742
  483   2HB   GLU  68           HB1      GLU  68  24.456   6.266   6.266
  484   1HG   GLU  68           HG2      GLU  68  26.363   6.615   6.615
  485   2HG   GLU  68           HG1      GLU  68  27.235   7.289   7.289
  486    H    GLN  69           HN       GLN  69  25.549   3.477   3.477
  487    HA   GLN  69           HA       GLN  69  27.911   3.014   3.014
  488   1HB   GLN  69           HB2      GLN  69  25.342   1.618   1.618
  489   2HB   GLN  69           HB1      GLN  69  26.778   0.642   0.642
  490   1HG   GLN  69           HG2      GLN  69  26.256   1.364   1.364
  491   2HG   GLN  69           HG1      GLN  69  27.353   2.633   2.633
  492   1HE2  GLN  69          HE22      GLN  69  24.879   5.131   5.131
  493   2HE2  GLN  69          HE21      GLN  69  26.526   4.732   4.732
  494    H    ILE  70           HN       ILE  70  26.402   2.366   2.366
  495    HA   ILE  70           HA       ILE  70  28.230   0.253   0.253
  496    HB   ILE  70           HB       ILE  70  27.089   2.475   2.475
  497   1HG1  ILE  70          HG12      ILE  70  25.835  -0.138  -0.138
  498   2HG1  ILE  70          HG11      ILE  70  25.724   0.477   0.477
  499   1HG2  ILE  70          HG21      ILE  70  29.064   0.743   0.743
  500   2HG2  ILE  70          HG23      ILE  70  27.659  -0.252  -0.252
  501   3HG2  ILE  70          HG22      ILE  70  27.870   1.316   1.316
  502   1HD1  ILE  70          HD13      ILE  70  25.208   2.702   2.702
  503   2HD1  ILE  70          HD12      ILE  70  24.361   1.394   1.394
  504   3HD1  ILE  70          HD11      ILE  70  24.013   1.740   1.740
  505    H    GLN  71           HN       GLN  71  28.367   3.567   3.567
  506    HA   GLN  71           HA       GLN  71  31.053   4.035   4.035
  507   1HB   GLN  71           HB2      GLN  71  28.784   5.620   5.620
  508   2HB   GLN  71           HB1      GLN  71  30.407   6.283   6.283
  509   1HG   GLN  71           HG2      GLN  71  29.175   7.018   7.018
  510   2HG   GLN  71           HG1      GLN  71  30.711   6.215   6.215
  511   1HE2  GLN  71          HE22      GLN  71  27.201   4.328   4.328
  512   2HE2  GLN  71          HE21      GLN  71  27.172   5.662   5.662
  513    H    ASP  72           HN       ASP  72  29.323   4.754   4.754
  514    HA   ASP  72           HA       ASP  72  31.460   4.942   4.942
  515   1HB   ASP  72           HB2      ASP  72  28.588   4.113   4.113
  516   2HB   ASP  72           HB1      ASP  72  29.704   4.176   4.176
  517    H    VAL  73           HN       VAL  73  29.529   2.056   2.056
  518    HA   VAL  73           HA       VAL  73  30.764   0.250   0.250
  519    HB   VAL  73           HB       VAL  73  28.745  -0.033  -0.033
  520   1HG1  VAL  73          HG13      VAL  73  30.520   0.046   0.046
  521   2HG1  VAL  73          HG12      VAL  73  30.855  -1.620  -1.620
  522   3HG1  VAL  73          HG11      VAL  73  29.241  -1.165  -1.165
  523   1HG2  VAL  73          HG21      VAL  73  30.645  -2.193  -2.193
  524   2HG2  VAL  73          HG23      VAL  73  29.205  -1.611  -1.611
  525   3HG2  VAL  73          HG22      VAL  73  29.046  -2.520  -2.520
  526    H    ALA  74           HN       ALA  74  31.935   1.551   1.551
  527    HA   ALA  74           HA       ALA  74  34.118  -0.402  -0.402
  528   1HB   ALA  74           HB1      ALA  74  33.322   2.057   2.057
  529   2HB   ALA  74           HB3      ALA  74  34.944   1.390   1.390
  530   3HB   ALA  74           HB2      ALA  74  33.535   0.405   0.405
  531    H    ALA  75           HN       ALA  75  34.054   3.170   3.170
  532    HA   ALA  75           HA       ALA  75  36.676   3.447   3.447
  533   1HB   ALA  75           HB1      ALA  75  34.119   4.969   4.969
  534   2HB   ALA  75           HB3      ALA  75  35.293   5.307   5.307
  535   3HB   ALA  75           HB2      ALA  75  35.740   5.540   5.540
  536    H    TYR  76           HN       TYR  76  33.835   2.070   2.070
  537    HA   TYR  76           HA       TYR  76  34.353   2.147   2.147
  538   1HB   TYR  76           HB2      TYR  76  32.128   1.709   1.709
  539   2HB   TYR  76           HB1      TYR  76  32.651   0.486   0.486
  540    HD1  TYR  76           HD1      TYR  76  32.202   1.228   1.228
  541    HD2  TYR  76           HD2      TYR  76  32.981  -1.788  -1.788
  542    HE1  TYR  76           HE1      TYR  76  31.828  -0.425  -0.425
  543    HE2  TYR  76           HE2      TYR  76  32.576  -3.512  -3.512
  544    HH   TYR  76           HH       TYR  76  31.595  -3.822  -3.822
  545    H    VAL  77           HN       VAL  77  34.906  -0.342  -0.342
  546    HA   VAL  77           HA       VAL  77  36.164  -2.177  -2.177
  547    HB   VAL  77           HB       VAL  77  35.333  -3.084  -3.084
  548   1HG1  VAL  77          HG11      VAL  77  36.826  -0.844  -0.844
  549   2HG1  VAL  77          HG13      VAL  77  36.292  -2.244  -2.244
  550   3HG1  VAL  77          HG12      VAL  77  35.105  -1.229  -1.229
  551   1HG2  VAL  77          HG22      VAL  77  37.917  -3.527  -3.527
  552   2HG2  VAL  77          HG21      VAL  77  37.132  -4.376  -4.376
  553   3HG2  VAL  77          HG23      VAL  77  38.144  -2.973  -2.973
  554    H    LEU  78           HN       LEU  78  37.093   0.736   0.736
  555    HA   LEU  78           HA       LEU  78  39.987   0.193   0.193
  556   1HB   LEU  78           HB2      LEU  78  38.691   2.907   2.907
  557   2HB   LEU  78           HB1      LEU  78  40.280   2.394   2.394
  558    HG   LEU  78           HG       LEU  78  37.574   1.764   1.764
  559   1HD1  LEU  78          HD11      LEU  78  39.478   3.579   3.579
  560   2HD1  LEU  78          HD13      LEU  78  40.005   2.206   2.206
  561   3HD1  LEU  78          HD12      LEU  78  38.379   2.856   2.856
  562   1HD2  LEU  78          HD23      LEU  78  38.801  -0.407  -0.407
  563   2HD2  LEU  78          HD22      LEU  78  38.516  -0.033  -0.033
  564   3HD2  LEU  78          HD21      LEU  78  40.112   0.225   0.225
  565    H    ASP  79           HN       ASP  79  37.523   1.162   1.162
  566    HA   ASP  79           HA       ASP  79  39.323   2.540   2.540
  567   1HB   ASP  79           HB2      ASP  79  36.752   3.055   3.055
  568   2HB   ASP  79           HB1      ASP  79  36.491   1.948   1.948
  569    H    GLN  80           HN       GLN  80  37.289  -0.296  -0.296
  570    HA   GLN  80           HA       GLN  80  37.892  -1.364  -1.364
  571   1HB   GLN  80           HB2      GLN  80  36.728  -2.808  -2.808
  572   2HB   GLN  80           HB1      GLN  80  36.442  -3.086  -3.086
  573   1HG   GLN  80           HG2      GLN  80  35.763  -0.372  -0.372
  574   2HG   GLN  80           HG1      GLN  80  34.892  -1.553  -1.553
  575   1HE2  GLN  80          HE22      GLN  80  33.385  -0.860  -0.860
  576   2HE2  GLN  80          HE21      GLN  80  34.171   0.234   0.234
  577    H    ALA  81           HN       ALA  81  38.908  -1.902  -1.902
  578    HA   ALA  81           HA       ALA  81  40.452  -4.232  -4.232
  579   1HB   ALA  81           HB1      ALA  81  40.727  -1.778  -1.778
  580   2HB   ALA  81           HB3      ALA  81  41.925  -3.069  -3.069
  581   3HB   ALA  81           HB2      ALA  81  40.238  -3.404  -3.404
  582    H    ALA  82           HN       ALA  82  41.139  -0.963  -0.963
  583    HA   ALA  82           HA       ALA  82  43.903  -1.619  -1.619
  584   1HB   ALA  82           HB1      ALA  82  42.348   0.793   0.793
  585   2HB   ALA  82           HB3      ALA  82  43.235   0.836   0.836
  586   3HB   ALA  82           HB2      ALA  82  44.101   0.596   0.596
  587    H    LYS  83           HN       LYS  83  40.810  -1.478  -1.478
  588    HA   LYS  83           HA       LYS  83  41.716  -2.903  -2.903
  589   1HB   LYS  83           HB2      LYS  83  42.279  -1.316  -1.316
  590   2HB   LYS  83           HB1      LYS  83  42.799  -0.450  -0.450
  591   1HG   LYS  83           HG2      LYS  83  40.066  -0.154  -0.154
  592   2HG   LYS  83           HG1      LYS  83  41.405   0.980   0.980
  593   1HD   LYS  83           HD2      LYS  83  41.056   0.546   0.546
  594   2HD   LYS  83           HD1      LYS  83  39.460   0.859   0.859
  595   1HE   LYS  83           HE2      LYS  83  39.988   3.050   3.050
  596   2HE   LYS  83           HE1      LYS  83  41.165   2.693   2.693
  597   1HZ   LYS  83           HZ3      LYS  83  42.483   1.930   1.930
  598   2HZ   LYS  83           HZ2      LYS  83  41.577   3.233   3.233
  599   3HZ   LYS  83           HZ1      LYS  83  42.624   3.463   3.463
  600    H    GLY  84           HN       GLY  84  39.397  -0.755  -0.755
  601   1HA   GLY  84           HA2      GLY  84  37.401  -0.850  -0.850
  602   2HA   GLY  84           HA1      GLY  84  37.099  -0.484  -0.484
  603    H    TRP  85           HN       TRP  85  38.518  -3.334  -3.334
  604    HA   TRP  85           HA       TRP  85  36.057  -4.683  -4.683
  605   1HB   TRP  85           HB2      TRP  85  38.885  -5.735  -5.735
  606   2HB   TRP  85           HB1      TRP  85  37.505  -6.806  -6.806
  607    HD1  TRP  85           HD1      TRP  85  39.888  -5.721  -5.721
  608    HE1  TRP  85           HE1      TRP  85  39.011  -4.999  -4.999
  609    HE3  TRP  85           HE3      TRP  85  34.989  -5.032  -5.032
  610    HZ2  TRP  85           HZ2      TRP  85  36.537  -4.196  -4.196
  611    HZ3  TRP  85           HZ3      TRP  85  33.425  -4.236  -4.236
  612    HH2  TRP  85           HH2      TRP  85  34.156  -3.808  -3.808
  613    H    ALA  86           HN       ALA  86  34.994  -4.535  -4.535
  614    HA   ALA  86           HA       ALA  86  36.060  -4.999  -4.999
  615   1HB   ALA  86           HB2      ALA  86  33.330  -5.467  -5.467
  616   2HB   ALA  86           HB1      ALA  86  33.665  -6.016  -6.016
  617   3HB   ALA  86           HB3      ALA  86  33.833  -4.309  -4.309
  618    H    GLY  87           HN       GLY  87  35.423  -7.283  -7.283
  619   1HA   GLY  87           HA2      GLY  87  35.567  -9.641  -9.641
  620   2HA   GLY  87           HA1      GLY  87  37.043  -9.331  -9.331
  621    HHA  HEC  88           HA       HEM  88  36.207 -10.832 -10.832
  622    HHB  HEC  88           HB       HEM  88  34.120  -6.007  -6.007
  623    HHC  HEC  88           HC       HEM  88  28.430  -8.815  -8.815
  624    HHD  HEC  88           HD       HEM  88  30.868 -13.994 -13.994
  625   1HMA  HEC  88          HMA1      HEM  88  36.706  -5.524  -5.524
  626   2HMA  HEC  88          HMA2      HEM  88  37.698  -6.600  -6.600
  627   3HMA  HEC  88          HMA3      HEM  88  36.189  -5.838  -5.838
  628   1HAA  HEC  88          HAA1      HEM  88  37.986  -9.647  -9.647
  629   2HAA  HEC  88          HAA2      HEM  88  38.354  -7.939  -7.939
  630   1HBA  HEC  88          HBA1      HEM  88  36.705  -8.722  -8.722
  631   2HBA  HEC  88          HBA2      HEM  88  37.393  -7.099  -7.099
  632   1HMB  HEC  88          HMB1      HEM  88  31.437  -5.020  -5.020
  633   2HMB  HEC  88          HMB2      HEM  88  31.619  -4.186  -4.186
  634   3HMB  HEC  88          HMB3      HEM  88  33.025  -5.054  -5.054
  635    HAB  HEC  88           HAB      HEM  88  28.230  -7.058  -7.058
  636   1HBB  HEC  88          HBB1      HEM  88  28.399  -5.436  -5.436
  637   2HBB  HEC  88          HBB2      HEM  88  27.797  -4.551  -4.551
  638   3HBB  HEC  88          HBB3      HEM  88  29.524  -4.396  -4.396
  639   1HMC  HEC  88          HMC1      HEM  88  27.175 -10.741 -10.741
  640   2HMC  HEC  88          HMC2      HEM  88  26.551 -10.469 -10.469
  641   3HMC  HEC  88          HMC3      HEM  88  26.605 -12.142 -12.142
  642    HAC  HEC  88           HAC      HEM  88  29.343 -14.522 -14.522
  643   1HBC  HEC  88          HBC1      HEM  88  27.442 -14.012 -14.012
  644   2HBC  HEC  88          HBC2      HEM  88  26.960 -15.200 -15.200
  645   3HBC  HEC  88          HBC3      HEM  88  26.456 -13.475 -13.475
  646   1HMD  HEC  88          HMD1      HEM  88  31.908 -15.129 -15.129
  647   2HMD  HEC  88          HMD2      HEM  88  33.295 -15.109 -15.109
  648   3HMD  HEC  88          HMD3      HEM  88  33.550 -15.657 -15.657
  649   1HAD  HEC  88          HAD1      HEM  88  35.625 -14.407 -14.407
  650   2HAD  HEC  88          HAD2      HEM  88  36.523 -12.899 -12.899
  651   1HBD  HEC  88          HBD1      HEM  88  35.323 -13.687 -13.687
  652   2HBD  HEC  88          HBD2      HEM  88  34.502 -12.188 -12.188

  Start of MODEL   13
    1   1H    ALA   1           HT3      ALA   1  34.263   8.227   8.227
    2   2H    ALA   1           HT2      ALA   1  35.074   8.499   8.499
    3   3H    ALA   1           HT1      ALA   1  35.611   9.254   9.254
    4    HA   ALA   1           HA       ALA   1  33.745  10.665  10.665
    5   1HB   ALA   1           HB3      ALA   1  35.561  10.721  10.721
    6   2HB   ALA   1           HB2      ALA   1  34.011  10.809  10.809
    7   3HB   ALA   1           HB1      ALA   1  34.421  12.010  12.010
    8    H    ASP   2           HN       ASP   2  31.691   9.834   9.834
    9    HA   ASP   2           HA       ASP   2  29.482   9.288   9.288
   10   1HB   ASP   2           HB2      ASP   2  30.263   9.250   9.250
   11   2HB   ASP   2           HB1      ASP   2  28.734   9.743   9.743
   12    H    LEU   3           HN       LEU   3  32.118   7.427   7.427
   13    HA   LEU   3           HA       LEU   3  31.037   5.196   5.196
   14   1HB   LEU   3           HB2      LEU   3  33.339   5.239   5.239
   15   2HB   LEU   3           HB1      LEU   3  32.992   3.956   3.956
   16    HG   LEU   3           HG       LEU   3  34.076   6.713   6.713
   17   1HD1  LEU   3          HD13      LEU   3  35.448   4.571   4.571
   18   2HD1  LEU   3          HD12      LEU   3  34.625   4.078   4.078
   19   3HD1  LEU   3          HD11      LEU   3  35.636   5.525   5.525
   20   1HD2  LEU   3          HD21      LEU   3  32.367   5.109   5.109
   21   2HD2  LEU   3          HD23      LEU   3  32.156   6.792   6.792
   22   3HD2  LEU   3          HD22      LEU   3  33.514   6.335   6.335
   23    H    ALA   4           HN       ALA   4  30.150   6.458   6.458
   24    HA   ALA   4           HA       ALA   4  29.876   4.095   4.095
   25   1HB   ALA   4           HB3      ALA   4  28.985   6.889   6.889
   26   2HB   ALA   4           HB2      ALA   4  27.765   5.769   5.769
   27   3HB   ALA   4           HB1      ALA   4  29.374   5.795   5.795
   28    H    ASN   5           HN       ASN   5  28.160   5.599   5.599
   29    HA   ASN   5           HA       ASN   5  25.720   4.055   4.055
   30   1HB   ASN   5           HB2      ASN   5  26.835   6.126   6.126
   31   2HB   ASN   5           HB1      ASN   5  26.305   4.814   4.814
   32   1HD2  ASN   5          HD22      ASN   5  23.283   6.872   6.872
   33   2HD2  ASN   5          HD21      ASN   5  24.769   6.978   6.978
   34    H    GLY   6           HN       GLY   6  28.917   3.601   3.601
   35   1HA   GLY   6           HA2      GLY   6  28.442   1.459   1.459
   36   2HA   GLY   6           HA1      GLY   6  29.955   1.732   1.732
   37    H    ALA   7           HN       ALA   7  29.717   1.163   1.163
   38    HA   ALA   7           HA       ALA   7  29.458  -1.551  -1.551
   39   1HB   ALA   7           HB1      ALA   7  29.563   0.764   0.764
   40   2HB   ALA   7           HB3      ALA   7  28.446  -0.432  -0.432
   41   3HB   ALA   7           HB2      ALA   7  30.116  -0.885  -0.885
   42    H    LYS   8           HN       LYS   8  26.889   0.845   0.845
   43    HA   LYS   8           HA       LYS   8  24.833  -0.869  -0.869
   44   1HB   LYS   8           HB2      LYS   8  24.288   1.432   1.432
   45   2HB   LYS   8           HB1      LYS   8  24.799   1.612   1.612
   46   1HG   LYS   8           HG2      LYS   8  22.662  -0.384  -0.384
   47   2HG   LYS   8           HG1      LYS   8  22.191   1.266   1.266
   48   1HD   LYS   8           HD2      LYS   8  23.363   0.315   0.315
   49   2HD   LYS   8           HD1      LYS   8  21.718   0.891   0.891
   50   1HE   LYS   8           HE2      LYS   8  23.534   2.857   2.857
   51   2HE   LYS   8           HE1      LYS   8  24.037   2.420   2.420
   52   1HZ   LYS   8           HZ2      LYS   8  21.260   2.608   2.608
   53   2HZ   LYS   8           HZ1      LYS   8  21.836   3.982   3.982
   54   3HZ   LYS   8           HZ3      LYS   8  22.368   3.647   3.647
   55    H    VAL   9           HN       VAL   9  25.788  -0.011  -0.011
   56    HA   VAL   9           HA       VAL   9  23.975  -1.894  -1.894
   57    HB   VAL   9           HB       VAL   9  26.371  -0.337  -0.337
   58   1HG1  VAL   9          HG11      VAL   9  26.542  -2.622  -2.622
   59   2HG1  VAL   9          HG13      VAL   9  24.914  -2.416  -2.416
   60   3HG1  VAL   9          HG12      VAL   9  26.217  -1.360  -1.360
   61   1HG2  VAL   9          HG21      VAL   9  23.414  -0.482  -0.482
   62   2HG2  VAL   9          HG23      VAL   9  24.382   0.927   0.927
   63   3HG2  VAL   9          HG22      VAL   9  24.493   0.243   0.243
   64    H    PHE  10           HN       PHE  10  27.554  -2.032  -2.032
   65    HA   PHE  10           HA       PHE  10  27.887  -4.665  -4.665
   66   1HB   PHE  10           HB2      PHE  10  29.775  -3.177  -3.177
   67   2HB   PHE  10           HB1      PHE  10  29.373  -3.221  -3.221
   68    HD1  PHE  10           HD1      PHE  10  29.216  -5.521  -5.521
   69    HD2  PHE  10           HD2      PHE  10  31.237  -4.850  -4.850
   70    HE1  PHE  10           HE1      PHE  10  30.450  -7.610  -7.610
   71    HE2  PHE  10           HE2      PHE  10  32.474  -6.967  -6.967
   72    HZ   PHE  10           HZ       PHE  10  32.090  -8.359  -8.359
   73    H    SER  11           HN       SER  11  26.551  -3.514  -3.514
   74    HA   SER  11           HA       SER  11  26.710  -6.138  -6.138
   75   1HB   SER  11           HB2      SER  11  26.896  -4.277  -4.277
   76   2HB   SER  11           HB1      SER  11  25.479  -3.490  -3.490
   77    HG   SER  11           HG       SER  11  24.442  -4.483  -4.483
   78    H    GLY  12           HN       GLY  12  25.154  -5.702  -5.702
   79   1HA   GLY  12           HA2      GLY  12  22.844  -7.251  -7.251
   80   2HA   GLY  12           HA1      GLY  12  22.421  -5.626  -5.626
   81    H    ASN  13           HN       ASN  13  25.226  -6.870  -6.870
   82    HA   ASN  13           HA       ASN  13  23.722  -8.156  -8.156
   83   1HB   ASN  13           HB2      ASN  13  25.223  -6.408  -6.408
   84   2HB   ASN  13           HB1      ASN  13  23.505  -6.208  -6.208
   85   1HD2  ASN  13          HD22      ASN  13  23.990  -3.384  -3.384
   86   2HD2  ASN  13          HD21      ASN  13  22.879  -4.469  -4.469
   87    H    CYS  14           HN       CYS  14  26.856  -6.752  -6.752
   88    HA   CYS  14           HA       CYS  14  28.329  -8.743  -8.743
   89   1HB   CYS  14           HB2      CYS  14  29.606  -7.061  -7.061
   90   2HB   CYS  14           HB1      CYS  14  30.230  -7.515  -7.515
   91    H    ALA  15           HN       ALA  15  27.292  -8.292  -8.292
   92    HA   ALA  15           HA       ALA  15  28.959  -9.882  -9.882
   93   1HB   ALA  15           HB1      ALA  15  25.935  -9.833  -9.833
   94   2HB   ALA  15           HB3      ALA  15  26.939 -10.531 -10.531
   95   3HB   ALA  15           HB2      ALA  15  27.028  -8.802  -8.802
   96    H    ALA  16           HN       ALA  16  26.424 -11.065 -11.065
   97    HA   ALA  16           HA       ALA  16  26.528 -13.801 -13.801
   98   1HB   ALA  16           HB2      ALA  16  25.758 -12.205 -12.205
   99   2HB   ALA  16           HB1      ALA  16  26.124 -13.903 -13.903
  100   3HB   ALA  16           HB3      ALA  16  24.867 -13.468 -13.468
  101    H    CYS  17           HN       CYS  17  28.514 -12.106 -12.106
  102    HA   CYS  17           HA       CYS  17  30.269 -14.515 -14.515
  103   1HB   CYS  17           HB2      CYS  17  29.635 -12.391 -12.391
  104   2HB   CYS  17           HB1      CYS  17  31.158 -13.256 -13.256
  105    H    HIS  18           HN       HIS  18  30.307 -12.155 -12.155
  106    HA   HIS  18           HA       HIS  18  33.210 -11.774 -11.774
  107   1HB   HIS  18           HB2      HIS  18  31.252  -9.473  -9.473
  108   2HB   HIS  18           HB1      HIS  18  32.956  -9.286  -9.286
  109    HD1  HIS  18           HD1      HIS  18  34.655 -10.057 -10.057
  110    HD2  HIS  18           HD2      HIS  18  30.727 -10.099 -10.099
  111    HE1  HIS  18           HE1      HIS  18  34.766 -10.316 -10.316
  112    H    MET  19           HN       MET  19  30.569 -10.000 -10.000
  113    HA   MET  19           HA       MET  19  30.351  -9.403  -9.403
  114   1HB   MET  19           HB2      MET  19  30.158 -11.512 -11.512
  115   2HB   MET  19           HB1      MET  19  29.113 -11.437 -11.437
  116   1HG   MET  19           HG2      MET  19  30.708 -12.808 -12.808
  117   2HG   MET  19           HG1      MET  19  31.798 -12.848 -12.848
  118   1HE   MET  19           HE3      MET  19  31.948 -15.339 -15.339
  119   2HE   MET  19           HE2      MET  19  30.599 -16.471 -16.471
  120   3HE   MET  19           HE1      MET  19  30.889 -15.460 -15.460
  121    H    GLY  20           HN       GLY  20  32.102  -8.231  -8.231
  122   1HA   GLY  20           HA2      GLY  20  33.932  -7.920  -7.920
  123   2HA   GLY  20           HA1      GLY  20  34.030  -9.670  -9.670
  124    H    GLY  21           HN       GLY  21  34.209  -7.566  -7.566
  125   1HA   GLY  21           HA2      GLY  21  35.654  -7.743  -7.743
  126   2HA   GLY  21           HA1      GLY  21  36.856  -7.434  -7.434
  127    H    GLY  22           HN       GLY  22  34.873 -10.364 -10.364
  128   1HA   GLY  22           HA2      GLY  22  37.383 -11.864 -11.864
  129   2HA   GLY  22           HA1      GLY  22  36.216 -12.462 -12.462
  130    H    ASN  23           HN       ASN  23  36.925 -12.112 -12.112
  131    HA   ASN  23           HA       ASN  23  34.399 -12.718 -12.718
  132   1HB   ASN  23           HB2      ASN  23  36.963 -12.332 -12.332
  133   2HB   ASN  23           HB1      ASN  23  36.659 -14.030 -14.030
  134   1HD2  ASN  23          HD22      ASN  23  35.270 -11.906 -11.906
  135   2HD2  ASN  23          HD21      ASN  23  36.816 -12.063 -12.063
  136    H    VAL  24           HN       VAL  24  34.300 -15.030 -15.030
  137    HA   VAL  24           HA       VAL  24  35.139 -17.280 -17.280
  138    HB   VAL  24           HB       VAL  24  32.522 -17.957 -17.957
  139   1HG1  VAL  24          HG11      VAL  24  34.416 -17.180 -17.180
  140   2HG1  VAL  24          HG13      VAL  24  32.940 -16.293 -16.293
  141   3HG1  VAL  24          HG12      VAL  24  32.907 -18.053 -18.053
  142   1HG2  VAL  24          HG23      VAL  24  32.224 -15.490 -15.490
  143   2HG2  VAL  24          HG22      VAL  24  31.062 -16.164 -16.164
  144   3HG2  VAL  24          HG21      VAL  24  32.326 -15.071 -15.071
  145    H    VAL  25           HN       VAL  25  32.344 -17.010 -17.010
  146    HA   VAL  25           HA       VAL  25  32.714 -19.302 -19.302
  147    HB   VAL  25           HB       VAL  25  30.788 -18.042 -18.042
  148   1HG1  VAL  25          HG13      VAL  25  32.649 -15.754 -15.754
  149   2HG1  VAL  25          HG12      VAL  25  30.893 -15.718 -15.718
  150   3HG1  VAL  25          HG11      VAL  25  31.632 -15.851 -15.851
  151   1HG2  VAL  25          HG21      VAL  25  32.254 -19.020 -19.020
  152   2HG2  VAL  25          HG23      VAL  25  30.769 -18.121 -18.121
  153   3HG2  VAL  25          HG22      VAL  25  32.332 -17.319 -17.319
  154    H    MET  26           HN       MET  26  34.438 -16.229 -16.229
  155    HA   MET  26           HA       MET  26  35.772 -16.886 -16.886
  156   1HB   MET  26           HB2      MET  26  37.689 -15.433 -15.433
  157   2HB   MET  26           HB1      MET  26  36.151 -14.688 -14.688
  158   1HG   MET  26           HG2      MET  26  36.988 -14.091 -14.091
  159   2HG   MET  26           HG1      MET  26  35.378 -14.798 -14.798
  160   1HE   MET  26           HE3      MET  26  38.902 -14.913 -14.913
  161   2HE   MET  26           HE2      MET  26  38.583 -15.068 -15.068
  162   3HE   MET  26           HE1      MET  26  39.349 -16.395 -16.395
  163    H    ALA  27           HN       ALA  27  38.514 -16.941 -16.941
  164    HA   ALA  27           HA       ALA  27  38.886 -19.475 -19.475
  165   1HB   ALA  27           HB3      ALA  27  39.871 -18.722 -18.722
  166   2HB   ALA  27           HB2      ALA  27  40.695 -19.950 -19.950
  167   3HB   ALA  27           HB1      ALA  27  39.009 -20.177 -20.177
  168    H    ASN  28           HN       ASN  28  39.668 -16.277 -16.277
  169    HA   ASN  28           HA       ASN  28  41.774 -16.508 -16.508
  170   1HB   ASN  28           HB2      ASN  28  43.743 -16.026 -16.026
  171   2HB   ASN  28           HB1      ASN  28  42.939 -17.346 -17.346
  172   1HD2  ASN  28          HD22      ASN  28  41.714 -15.056 -15.056
  173   2HD2  ASN  28          HD21      ASN  28  41.106 -16.303 -16.303
  174    H    LYS  29           HN       LYS  29  40.228 -14.582 -14.582
  175    HA   LYS  29           HA       LYS  29  41.220 -12.023 -12.023
  176   1HB   LYS  29           HB2      LYS  29  38.509 -12.832 -12.832
  177   2HB   LYS  29           HB1      LYS  29  39.086 -11.170 -11.170
  178   1HG   LYS  29           HG2      LYS  29  40.332 -11.451 -11.451
  179   2HG   LYS  29           HG1      LYS  29  41.069 -12.916 -12.916
  180   1HD   LYS  29           HD2      LYS  29  39.283 -14.284 -14.284
  181   2HD   LYS  29           HD1      LYS  29  38.268 -12.882 -12.882
  182   1HE   LYS  29           HE2      LYS  29  39.144 -12.704 -12.704
  183   2HE   LYS  29           HE1      LYS  29  40.772 -12.605 -12.605
  184   1HZ   LYS  29           HZ1      LYS  29  39.285 -15.135 -15.135
  185   2HZ   LYS  29           HZ3      LYS  29  40.456 -14.509 -14.509
  186   3HZ   LYS  29           HZ2      LYS  29  40.896 -14.984 -14.984
  187    H    THR  30           HN       THR  30  41.008 -10.908 -10.908
  188    HA   THR  30           HA       THR  30  38.602 -11.450 -11.450
  189    HB   THR  30           HB       THR  30  41.311 -10.654 -10.654
  190    HG1  THR  30           HG1      THR  30  40.344 -13.132 -13.132
  191   1HG2  THR  30          HG23      THR  30  38.685 -11.511 -11.511
  192   2HG2  THR  30          HG22      THR  30  40.124 -12.115 -12.115
  193   3HG2  THR  30          HG21      THR  30  39.867 -10.378 -10.378
  194    H    LEU  31           HN       LEU  31  38.417  -9.575  -9.575
  195    HA   LEU  31           HA       LEU  31  38.371  -7.071  -7.071
  196   1HB   LEU  31           HB2      LEU  31  36.881  -8.223  -8.223
  197   2HB   LEU  31           HB1      LEU  31  36.961  -6.461  -6.461
  198    HG   LEU  31           HG       LEU  31  35.796  -6.476  -6.476
  199   1HD1  LEU  31          HD13      LEU  31  37.302  -8.198  -8.198
  200   2HD1  LEU  31          HD12      LEU  31  36.297  -9.433  -9.433
  201   3HD1  LEU  31          HD11      LEU  31  35.609  -8.324  -8.324
  202   1HD2  LEU  31          HD21      LEU  31  34.793  -8.857  -8.857
  203   2HD2  LEU  31          HD23      LEU  31  34.297  -7.182  -7.182
  204   3HD2  LEU  31          HD22      LEU  31  33.898  -8.033  -8.033
  205    H    LYS  32           HN       LYS  32  40.232  -8.501  -8.501
  206    HA   LYS  32           HA       LYS  32  40.694  -6.294  -6.294
  207   1HB   LYS  32           HB2      LYS  32  43.062  -7.367  -7.367
  208   2HB   LYS  32           HB1      LYS  32  41.659  -8.308  -8.308
  209   1HG   LYS  32           HG2      LYS  32  42.008  -8.804  -8.804
  210   2HG   LYS  32           HG1      LYS  32  43.604  -8.925  -8.925
  211   1HD   LYS  32           HD2      LYS  32  41.201 -10.270 -10.270
  212   2HD   LYS  32           HD1      LYS  32  42.147 -11.059 -11.059
  213   1HE   LYS  32           HE2      LYS  32  44.111 -11.078 -11.078
  214   2HE   LYS  32           HE1      LYS  32  43.457  -9.889  -9.889
  215   1HZ   LYS  32           HZ3      LYS  32  41.799 -11.520 -11.520
  216   2HZ   LYS  32           HZ2      LYS  32  42.471 -12.665 -12.665
  217   3HZ   LYS  32           HZ1      LYS  32  43.373 -12.095 -12.095
  218    H    LYS  33           HN       LYS  33  43.640  -7.037  -7.037
  219    HA   LYS  33           HA       LYS  33  43.414  -4.700  -4.700
  220   1HB   LYS  33           HB2      LYS  33  45.167  -3.421  -3.421
  221   2HB   LYS  33           HB1      LYS  33  44.041  -3.832  -3.832
  222   1HG   LYS  33           HG2      LYS  33  45.493  -5.806  -5.806
  223   2HG   LYS  33           HG1      LYS  33  46.660  -5.217  -5.217
  224   1HD   LYS  33           HD2      LYS  33  45.692  -3.696  -3.696
  225   2HD   LYS  33           HD1      LYS  33  47.270  -4.463  -4.463
  226   1HE   LYS  33           HE2      LYS  33  47.823  -2.986  -2.986
  227   2HE   LYS  33           HE1      LYS  33  46.210  -2.273  -2.273
  228   1HZ   LYS  33           HZ2      LYS  33  47.016  -1.961  -1.961
  229   2HZ   LYS  33           HZ1      LYS  33  48.496  -1.804  -1.804
  230   3HZ   LYS  33           HZ3      LYS  33  47.199  -0.780  -0.780
  231    H    GLU  34           HN       GLU  34  45.568  -7.103  -7.103
  232    HA   GLU  34           HA       GLU  34  47.566  -7.016  -7.016
  233   1HB   GLU  34           HB2      GLU  34  48.140  -9.339  -9.339
  234   2HB   GLU  34           HB1      GLU  34  48.089  -8.080  -8.080
  235   1HG   GLU  34           HG2      GLU  34  45.887  -8.772  -8.772
  236   2HG   GLU  34           HG1      GLU  34  45.746  -9.892  -9.892
  237    H    ALA  35           HN       ALA  35  44.629  -9.011  -9.011
  238    HA   ALA  35           HA       ALA  35  45.265 -10.498 -10.498
  239   1HB   ALA  35           HB2      ALA  35  43.831 -11.274 -11.274
  240   2HB   ALA  35           HB1      ALA  35  42.535 -10.338 -10.338
  241   3HB   ALA  35           HB3      ALA  35  43.263 -11.685 -11.685
  242    H    LEU  36           HN       LEU  36  42.736  -8.050  -8.050
  243    HA   LEU  36           HA       LEU  36  41.866  -7.963  -7.963
  244   1HB   LEU  36           HB2      LEU  36  40.758  -5.819  -5.819
  245   2HB   LEU  36           HB1      LEU  36  40.392  -7.111  -7.111
  246    HG   LEU  36           HG       LEU  36  42.726  -5.368  -5.368
  247   1HD1  LEU  36          HD13      LEU  36  40.359  -4.144  -4.144
  248   2HD1  LEU  36          HD12      LEU  36  40.099  -4.441  -4.441
  249   3HD1  LEU  36          HD11      LEU  36  41.484  -3.489  -3.489
  250   1HD2  LEU  36          HD23      LEU  36  40.987  -7.294  -7.294
  251   2HD2  LEU  36          HD22      LEU  36  42.505  -6.615  -6.615
  252   3HD2  LEU  36          HD21      LEU  36  40.982  -5.780  -5.780
  253    H    GLU  37           HN       GLU  37  44.700  -6.899  -6.899
  254    HA   GLU  37           HA       GLU  37  45.239  -5.166  -5.166
  255   1HB   GLU  37           HB2      GLU  37  45.355  -4.360  -4.360
  256   2HB   GLU  37           HB1      GLU  37  47.035  -4.770  -4.770
  257   1HG   GLU  37           HG2      GLU  37  45.653  -3.305  -3.305
  258   2HG   GLU  37           HG1      GLU  37  45.846  -2.381  -2.381
  259    H    GLN  38           HN       GLN  38  45.823  -8.114  -8.114
  260    HA   GLN  38           HA       GLN  38  48.637  -8.464  -8.464
  261   1HB   GLN  38           HB2      GLN  38  47.652 -10.226 -10.226
  262   2HB   GLN  38           HB1      GLN  38  46.217 -10.237 -10.237
  263   1HG   GLN  38           HG2      GLN  38  47.755 -12.213 -12.213
  264   2HG   GLN  38           HG1      GLN  38  47.418 -11.292 -11.292
  265   1HE2  GLN  38          HE22      GLN  38  50.962 -10.042 -10.042
  266   2HE2  GLN  38          HE21      GLN  38  49.515  -9.874  -9.874
  267    H    PHE  39           HN       PHE  39  45.815  -9.065  -9.065
  268    HA   PHE  39           HA       PHE  39  47.489  -9.552  -9.552
  269   1HB   PHE  39           HB2      PHE  39  45.025  -9.553  -9.553
  270   2HB   PHE  39           HB1      PHE  39  45.696 -10.940 -10.940
  271    HD1  PHE  39           HD1      PHE  39  43.934  -7.759  -7.759
  272    HD2  PHE  39           HD2      PHE  39  44.350 -11.985 -11.985
  273    HE1  PHE  39           HE1      PHE  39  42.116  -7.692  -7.692
  274    HE2  PHE  39           HE2      PHE  39  42.522 -11.916 -11.916
  275    HZ   PHE  39           HZ       PHE  39  41.404  -9.766  -9.766
  276    H    GLY  40           HN       GLY  40  45.493  -7.047  -7.047
  277   1HA   GLY  40           HA2      GLY  40  46.215  -4.720  -4.720
  278   2HA   GLY  40           HA1      GLY  40  46.330  -5.283  -5.283
  279    H    MET  41           HN       MET  41  44.235  -4.049  -4.049
  280    HA   MET  41           HA       MET  41  42.271  -2.940  -2.940
  281   1HB   MET  41           HB2      MET  41  40.448  -4.785  -4.785
  282   2HB   MET  41           HB1      MET  41  41.692  -4.896  -4.896
  283   1HG   MET  41           HG2      MET  41  42.600  -6.772  -6.772
  284   2HG   MET  41           HG1      MET  41  42.395  -6.177  -6.177
  285   1HE   MET  41           HE3      MET  41  40.674  -7.036  -7.036
  286   2HE   MET  41           HE2      MET  41  39.277  -8.037  -8.037
  287   3HE   MET  41           HE1      MET  41  39.189  -6.290  -6.290
  288    H    TYR  42           HN       TYR  42  43.321  -2.593  -2.593
  289    HA   TYR  42           HA       TYR  42  41.117  -3.293  -3.293
  290   1HB   TYR  42           HB2      TYR  42  42.825  -3.748  -3.748
  291   2HB   TYR  42           HB1      TYR  42  43.969  -3.261  -3.261
  292    HD1  TYR  42           HD1      TYR  42  44.228  -0.609  -0.609
  293    HD2  TYR  42           HD2      TYR  42  42.847  -2.629  -2.629
  294    HE1  TYR  42           HE1      TYR  42  44.833   1.368   1.368
  295    HE2  TYR  42           HE2      TYR  42  43.439  -0.664  -0.664
  296    HH   TYR  42           HH       TYR  42  44.625   2.330   2.330
  297    H    SER  43           HN       SER  43  41.356  -1.063  -1.063
  298    HA   SER  43           HA       SER  43  41.055   1.294   1.294
  299   1HB   SER  43           HB2      SER  43  41.516   2.654   2.654
  300   2HB   SER  43           HB1      SER  43  42.660   1.310   1.310
  301    HG   SER  43           HG       SER  43  41.373   1.907   1.907
  302    H    GLU  44           HN       GLU  44  39.322   2.860   2.860
  303    HA   GLU  44           HA       GLU  44  36.756   1.800   1.800
  304   1HB   GLU  44           HB2      GLU  44  37.924   4.398   4.398
  305   2HB   GLU  44           HB1      GLU  44  36.301   4.083   4.083
  306   1HG   GLU  44           HG2      GLU  44  35.649   3.453   3.453
  307   2HG   GLU  44           HG1      GLU  44  37.219   4.070   4.070
  308    H    ASP  45           HN       ASP  45  38.267   3.044   3.044
  309    HA   ASP  45           HA       ASP  45  36.259   2.080   2.080
  310   1HB   ASP  45           HB2      ASP  45  38.209   3.637   3.637
  311   2HB   ASP  45           HB1      ASP  45  39.134   2.160   2.160
  312    H    ALA  46           HN       ALA  46  38.862   0.336   0.336
  313    HA   ALA  46           HA       ALA  46  38.846  -1.964  -1.964
  314   1HB   ALA  46           HB2      ALA  46  39.714  -1.602  -1.602
  315   2HB   ALA  46           HB1      ALA  46  39.935  -3.098  -3.098
  316   3HB   ALA  46           HB3      ALA  46  40.744  -1.625  -1.625
  317    H    ILE  47           HN       ILE  47  37.770  -1.889  -1.889
  318    HA   ILE  47           HA       ILE  47  36.140  -4.216  -4.216
  319    HB   ILE  47           HB       ILE  47  36.928  -3.446  -3.446
  320   1HG1  ILE  47          HG12      ILE  47  34.003  -2.698  -2.698
  321   2HG1  ILE  47          HG11      ILE  47  34.521  -4.373  -4.373
  322   1HG2  ILE  47          HG22      ILE  47  36.152  -0.877  -0.877
  323   2HG2  ILE  47          HG21      ILE  47  35.426  -1.146  -1.146
  324   3HG2  ILE  47          HG23      ILE  47  37.174  -1.258  -1.258
  325   1HD1  ILE  47          HD11      ILE  47  36.129  -3.426  -3.426
  326   2HD1  ILE  47          HD13      ILE  47  34.606  -2.587  -2.587
  327   3HD1  ILE  47          HD12      ILE  47  34.643  -4.349  -4.349
  328    H    ILE  48           HN       ILE  48  35.577  -0.858  -0.858
  329    HA   ILE  48           HA       ILE  48  32.718  -0.846  -0.846
  330    HB   ILE  48           HB       ILE  48  34.795   0.874   0.874
  331   1HG1  ILE  48          HG12      ILE  48  32.705   1.490   1.490
  332   2HG1  ILE  48          HG11      ILE  48  34.378   1.072   1.072
  333   1HG2  ILE  48          HG23      ILE  48  31.782   1.088   1.088
  334   2HG2  ILE  48          HG22      ILE  48  32.894   2.389   2.389
  335   3HG2  ILE  48          HG21      ILE  48  32.912   0.882   0.882
  336   1HD1  ILE  48          HD12      ILE  48  34.859   3.023   3.023
  337   2HD1  ILE  48          HD11      ILE  48  33.266   3.560   3.560
  338   3HD1  ILE  48          HD13      ILE  48  34.570   3.374   3.374
  339    H    TYR  49           HN       TYR  49  35.048  -2.097  -2.097
  340    HA   TYR  49           HA       TYR  49  33.037  -2.270  -2.270
  341   1HB   TYR  49           HB2      TYR  49  35.225  -1.720  -1.720
  342   2HB   TYR  49           HB1      TYR  49  35.967  -3.009  -3.009
  343    HD1  TYR  49           HD1      TYR  49  33.286  -2.548  -2.548
  344    HD2  TYR  49           HD2      TYR  49  36.481  -5.006  -5.006
  345    HE1  TYR  49           HE1      TYR  49  32.950  -4.116  -4.116
  346    HE2  TYR  49           HE2      TYR  49  36.147  -6.577  -6.577
  347    HH   TYR  49           HH       TYR  49  34.831  -5.989  -5.989
  348    H    GLN  50           HN       GLN  50  35.155  -4.626  -4.626
  349    HA   GLN  50           HA       GLN  50  33.760  -6.903  -6.903
  350   1HB   GLN  50           HB2      GLN  50  34.641  -8.040  -8.040
  351   2HB   GLN  50           HB1      GLN  50  35.856  -7.293  -7.293
  352   1HG   GLN  50           HG2      GLN  50  34.747  -5.401  -5.401
  353   2HG   GLN  50           HG1      GLN  50  35.485  -6.789  -6.789
  354   1HE2  GLN  50          HE22      GLN  50  38.601  -5.140  -5.140
  355   2HE2  GLN  50          HE21      GLN  50  37.457  -5.730  -5.730
  356    H    VAL  51           HN       VAL  51  32.763  -4.502  -4.502
  357    HA   VAL  51           HA       VAL  51  30.707  -6.267  -6.267
  358    HB   VAL  51           HB       VAL  51  31.416  -3.380  -3.380
  359   1HG1  VAL  51          HG11      VAL  51  29.410  -5.307  -5.307
  360   2HG1  VAL  51          HG13      VAL  51  30.159  -4.149  -4.149
  361   3HG1  VAL  51          HG12      VAL  51  29.255  -3.576  -3.576
  362   1HG2  VAL  51          HG21      VAL  51  33.078  -5.381  -5.381
  363   2HG2  VAL  51          HG23      VAL  51  32.791  -4.113  -4.113
  364   3HG2  VAL  51          HG22      VAL  51  31.961  -5.663  -5.663
  365    H    GLN  52           HN       GLN  52  31.029  -3.284  -3.284
  366    HA   GLN  52           HA       GLN  52  28.300  -2.579  -2.579
  367   1HB   GLN  52           HB2      GLN  52  30.699  -1.980  -1.980
  368   2HB   GLN  52           HB1      GLN  52  29.171  -1.697  -1.697
  369   1HG   GLN  52           HG2      GLN  52  28.557  -0.578  -0.578
  370   2HG   GLN  52           HG1      GLN  52  30.304  -0.379  -0.379
  371   1HE2  GLN  52          HE22      GLN  52  28.557   1.386   1.386
  372   2HE2  GLN  52          HE21      GLN  52  28.121  -0.205  -0.205
  373    H    HIS  53           HN       HIS  53  29.927  -5.218  -5.218
  374    HA   HIS  53           HA       HIS  53  27.460  -6.015  -6.015
  375   1HB   HIS  53           HB2      HIS  53  29.779  -6.416  -6.416
  376   2HB   HIS  53           HB1      HIS  53  28.168  -5.899  -5.899
  377    HD1  HIS  53           HD1      HIS  53  28.439  -3.726  -3.726
  378    HD2  HIS  53           HD2      HIS  53  30.850  -3.877  -3.877
  379    HE1  HIS  53           HE1      HIS  53  29.575  -1.468  -1.468
  380    H    GLY  54           HN       GLY  54  29.291  -6.761  -6.761
  381   1HA   GLY  54           HA2      GLY  54  30.214  -8.737  -8.737
  382   2HA   GLY  54           HA1      GLY  54  29.225  -9.563  -9.563
  383    H    LYS  55           HN       LYS  55  30.685 -10.925 -10.925
  384    HA   LYS  55           HA       LYS  55  32.255 -10.609 -10.609
  385   1HB   LYS  55           HB2      LYS  55  33.581  -9.299  -9.299
  386   2HB   LYS  55           HB1      LYS  55  34.584 -10.537 -10.537
  387   1HG   LYS  55           HG2      LYS  55  34.566  -8.035  -8.035
  388   2HG   LYS  55           HG1      LYS  55  34.754  -9.427  -9.427
  389   1HD   LYS  55           HD2      LYS  55  31.939  -8.757  -8.757
  390   2HD   LYS  55           HD1      LYS  55  32.840  -7.424  -7.424
  391   1HE   LYS  55           HE2      LYS  55  33.307  -8.607  -8.607
  392   2HE   LYS  55           HE1      LYS  55  33.260 -10.168 -10.168
  393   1HZ   LYS  55           HZ3      LYS  55  30.742  -8.841  -8.841
  394   2HZ   LYS  55           HZ2      LYS  55  31.252  -9.047  -9.047
  395   3HZ   LYS  55           HZ1      LYS  55  31.114 -10.392 -10.392
  396    H    ASN  56           HN       ASN  56  32.990 -12.583 -12.583
  397    HA   ASN  56           HA       ASN  56  33.501 -14.858 -14.858
  398   1HB   ASN  56           HB2      ASN  56  34.355 -14.006 -14.006
  399   2HB   ASN  56           HB1      ASN  56  34.609 -15.629 -15.629
  400   1HD2  ASN  56          HD22      ASN  56  36.885 -12.514 -12.514
  401   2HD2  ASN  56          HD21      ASN  56  35.504 -12.200 -12.200
  402    H    ALA  57           HN       ALA  57  32.645 -14.613 -14.613
  403    HA   ALA  57           HA       ALA  57  30.002 -15.849 -15.849
  404   1HB   ALA  57           HB1      ALA  57  31.955 -16.801 -16.801
  405   2HB   ALA  57           HB3      ALA  57  30.327 -17.432 -17.432
  406   3HB   ALA  57           HB2      ALA  57  31.559 -17.657 -17.657
  407    H    MET  58           HN       MET  58  30.341 -13.135 -13.135
  408    HA   MET  58           HA       MET  58  29.237 -13.049 -13.049
  409   1HB   MET  58           HB2      MET  58  31.384 -12.096 -12.096
  410   2HB   MET  58           HB1      MET  58  31.220 -11.189 -11.189
  411   1HG   MET  58           HG2      MET  58  29.265  -9.969  -9.969
  412   2HG   MET  58           HG1      MET  58  29.867 -10.698 -10.698
  413   1HE   MET  58           HE3      MET  58  29.931  -8.552  -8.552
  414   2HE   MET  58           HE2      MET  58  31.064  -7.242  -7.242
  415   3HE   MET  58           HE1      MET  58  29.673  -7.475  -7.475
  416    HA   PRO  59           HA       PRO  59  25.786 -11.049 -11.049
  417   1HB   PRO  59           HB2      PRO  59  24.725  -9.996  -9.996
  418   2HB   PRO  59           HB1      PRO  59  24.557 -11.690 -11.690
  419   1HG   PRO  59           HG2      PRO  59  26.282 -10.470 -10.470
  420   2HG   PRO  59           HG1      PRO  59  25.638 -12.113 -12.113
  421   1HD   PRO  59           HD2      PRO  59  28.268 -11.335 -11.335
  422   2HD   PRO  59           HD1      PRO  59  27.532 -12.881 -12.881
  423    H    ALA  60           HN       ALA  60  25.989  -9.204  -9.204
  424    HA   ALA  60           HA       ALA  60  27.401  -6.890  -6.890
  425   1HB   ALA  60           HB3      ALA  60  24.536  -7.075  -7.075
  426   2HB   ALA  60           HB2      ALA  60  25.647  -5.748  -5.748
  427   3HB   ALA  60           HB1      ALA  60  25.970  -7.356  -7.356
  428    H    PHE  61           HN       PHE  61  26.731  -4.713  -4.713
  429    HA   PHE  61           HA       PHE  61  24.659  -4.738  -4.738
  430   1HB   PHE  61           HB2      PHE  61  27.567  -4.319  -4.319
  431   2HB   PHE  61           HB1      PHE  61  26.387  -3.437  -3.437
  432    HD1  PHE  61           HD1      PHE  61  24.482  -4.783  -4.783
  433    HD2  PHE  61           HD2      PHE  61  28.048  -6.578  -6.578
  434    HE1  PHE  61           HE1      PHE  61  24.038  -6.836  -6.836
  435    HE2  PHE  61           HE2      PHE  61  27.611  -8.626  -8.626
  436    HZ   PHE  61           HZ       PHE  61  25.606  -8.757  -8.757
  437    H    ALA  62           HN       ALA  62  25.751  -3.337  -3.337
  438    HA   ALA  62           HA       ALA  62  25.980  -0.591  -0.591
  439   1HB   ALA  62           HB3      ALA  62  26.211  -1.797  -1.797
  440   2HB   ALA  62           HB2      ALA  62  24.451  -1.765  -1.765
  441   3HB   ALA  62           HB1      ALA  62  25.359  -0.254  -0.254
  442    H    GLY  63           HN       GLY  63  23.253  -2.693  -2.693
  443   1HA   GLY  63           HA2      GLY  63  21.661  -0.393  -0.393
  444   2HA   GLY  63           HA1      GLY  63  20.962  -1.346  -1.346
  445    H    ARG  64           HN       ARG  64  22.945  -2.821  -2.821
  446    HA   ARG  64           HA       ARG  64  20.522  -4.274  -4.274
  447   1HB   ARG  64           HB2      ARG  64  23.420  -4.910  -4.910
  448   2HB   ARG  64           HB1      ARG  64  22.580  -5.512  -5.512
  449   1HG   ARG  64           HG2      ARG  64  21.704  -5.964  -5.964
  450   2HG   ARG  64           HG1      ARG  64  22.525  -7.154  -7.154
  451   1HD   ARG  64           HD2      ARG  64  20.628  -6.760  -6.760
  452   2HD   ARG  64           HD1      ARG  64  19.776  -5.963  -5.963
  453    HE   ARG  64           HE       ARG  64  19.431  -8.085  -8.085
  454   1HH1  ARG  64          HH11      ARG  64  22.322  -8.949  -8.949
  455   2HH1  ARG  64          HH12      ARG  64  22.234 -10.333 -10.333
  456   1HH2  ARG  64          HH21      ARG  64  19.080  -9.548  -9.548
  457   2HH2  ARG  64          HH22      ARG  64  20.396 -10.672 -10.672
  458    H    LEU  65           HN       LEU  65  23.437  -2.558  -2.558
  459    HA   LEU  65           HA       LEU  65  22.510  -2.189  -2.189
  460   1HB   LEU  65           HB2      LEU  65  24.852  -0.769  -0.769
  461   2HB   LEU  65           HB1      LEU  65  24.637  -1.302  -1.302
  462    HG   LEU  65           HG       LEU  65  25.105  -3.074  -3.074
  463   1HD1  LEU  65          HD12      LEU  65  26.887  -1.633  -1.633
  464   2HD1  LEU  65          HD11      LEU  65  26.898  -3.237  -3.237
  465   3HD1  LEU  65          HD13      LEU  65  27.288  -3.046  -3.046
  466   1HD2  LEU  65          HD22      LEU  65  24.144  -3.578  -3.578
  467   2HD2  LEU  65          HD21      LEU  65  23.846  -4.499  -4.499
  468   3HD2  LEU  65          HD23      LEU  65  25.375  -4.685  -4.685
  469    H    THR  66           HN       THR  66  23.640   0.422   0.422
  470    HA   THR  66           HA       THR  66  21.413   2.004   2.004
  471    HB   THR  66           HB       THR  66  23.414   2.619   2.619
  472    HG1  THR  66           HG1      THR  66  21.567   1.173   1.173
  473   1HG2  THR  66          HG21      THR  66  21.185   4.293   4.293
  474   2HG2  THR  66          HG23      THR  66  22.048   4.680   4.680
  475   3HG2  THR  66          HG22      THR  66  22.911   4.651   4.651
  476    H    ASP  67           HN       ASP  67  22.085   4.230   4.230
  477    HA   ASP  67           HA       ASP  67  24.126   3.986   3.986
  478   1HB   ASP  67           HB2      ASP  67  22.266   6.050   6.050
  479   2HB   ASP  67           HB1      ASP  67  23.807   6.710   6.710
  480    H    GLU  68           HN       GLU  68  23.959   5.973   5.973
  481    HA   GLU  68           HA       GLU  68  26.695   6.772   6.772
  482   1HB   GLU  68           HB2      GLU  68  24.868   7.894   7.894
  483   2HB   GLU  68           HB1      GLU  68  24.757   6.492   6.492
  484   1HG   GLU  68           HG2      GLU  68  26.646   7.074   7.074
  485   2HG   GLU  68           HG1      GLU  68  27.483   7.593   7.593
  486    H    GLN  69           HN       GLN  69  25.634   3.643   3.643
  487    HA   GLN  69           HA       GLN  69  27.792   3.046   3.046
  488   1HB   GLN  69           HB2      GLN  69  25.138   1.859   1.859
  489   2HB   GLN  69           HB1      GLN  69  26.463   0.746   0.746
  490   1HG   GLN  69           HG2      GLN  69  26.014   1.478   1.478
  491   2HG   GLN  69           HG1      GLN  69  27.123   2.746   2.746
  492   1HE2  GLN  69          HE22      GLN  69  24.669   5.257   5.257
  493   2HE2  GLN  69          HE21      GLN  69  26.297   4.838   4.838
  494    H    ILE  70           HN       ILE  70  26.519   2.428   2.428
  495    HA   ILE  70           HA       ILE  70  28.289   0.200   0.200
  496    HB   ILE  70           HB       ILE  70  27.552   2.436   2.436
  497   1HG1  ILE  70          HG12      ILE  70  25.964   0.080   0.080
  498   2HG1  ILE  70          HG11      ILE  70  25.819   0.601   0.601
  499   1HG2  ILE  70          HG23      ILE  70  29.241   0.235   0.235
  500   2HG2  ILE  70          HG22      ILE  70  27.736  -0.301  -0.301
  501   3HG2  ILE  70          HG21      ILE  70  28.540   1.158   1.158
  502   1HD1  ILE  70          HD12      ILE  70  25.651   2.994   2.994
  503   2HD1  ILE  70          HD11      ILE  70  24.997   1.993   1.993
  504   3HD1  ILE  70          HD13      ILE  70  24.233   1.986   1.986
  505    H    GLN  71           HN       GLN  71  28.546   3.514   3.514
  506    HA   GLN  71           HA       GLN  71  31.322   3.812   3.812
  507   1HB   GLN  71           HB2      GLN  71  29.093   5.558   5.558
  508   2HB   GLN  71           HB1      GLN  71  30.750   6.135   6.135
  509   1HG   GLN  71           HG2      GLN  71  29.593   6.836   6.836
  510   2HG   GLN  71           HG1      GLN  71  31.033   5.860   5.860
  511   1HE2  GLN  71          HE22      GLN  71  27.353   4.393   4.393
  512   2HE2  GLN  71          HE21      GLN  71  27.499   5.864   5.864
  513    H    ASP  72           HN       ASP  72  29.496   4.810   4.810
  514    HA   ASP  72           HA       ASP  72  31.489   4.886   4.886
  515   1HB   ASP  72           HB2      ASP  72  28.576   4.110   4.110
  516   2HB   ASP  72           HB1      ASP  72  29.608   4.223   4.223
  517    H    VAL  73           HN       VAL  73  29.508   2.074   2.074
  518    HA   VAL  73           HA       VAL  73  30.618   0.255   0.255
  519    HB   VAL  73           HB       VAL  73  28.553   0.118   0.118
  520   1HG1  VAL  73          HG12      VAL  73  30.296  -0.186  -0.186
  521   2HG1  VAL  73          HG11      VAL  73  30.492  -1.817  -1.817
  522   3HG1  VAL  73          HG13      VAL  73  28.919  -1.287  -1.287
  523   1HG2  VAL  73          HG23      VAL  73  29.091  -1.315  -1.315
  524   2HG2  VAL  73          HG22      VAL  73  28.345  -2.194  -2.194
  525   3HG2  VAL  73          HG21      VAL  73  30.082  -2.316  -2.316
  526    H    ALA  74           HN       ALA  74  31.771   1.259   1.259
  527    HA   ALA  74           HA       ALA  74  33.761  -0.863  -0.863
  528   1HB   ALA  74           HB2      ALA  74  32.913   1.399   1.399
  529   2HB   ALA  74           HB1      ALA  74  34.672   1.295   1.295
  530   3HB   ALA  74           HB3      ALA  74  33.735  -0.081  -0.081
  531    H    ALA  75           HN       ALA  75  34.045   2.661   2.661
  532    HA   ALA  75           HA       ALA  75  36.683   2.690   2.690
  533   1HB   ALA  75           HB1      ALA  75  34.268   4.466   4.466
  534   2HB   ALA  75           HB3      ALA  75  35.608   4.764   4.764
  535   3HB   ALA  75           HB2      ALA  75  35.878   4.836   4.836
  536    H    TYR  76           HN       TYR  76  33.673   1.654   1.654
  537    HA   TYR  76           HA       TYR  76  34.131   1.829   1.829
  538   1HB   TYR  76           HB2      TYR  76  31.899   1.372   1.372
  539   2HB   TYR  76           HB1      TYR  76  32.445  -0.035  -0.035
  540    HD1  TYR  76           HD1      TYR  76  31.693   1.296   1.296
  541    HD2  TYR  76           HD2      TYR  76  32.944  -2.125  -2.125
  542    HE1  TYR  76           HE1      TYR  76  31.276  -0.049  -0.049
  543    HE2  TYR  76           HE2      TYR  76  32.501  -3.539  -3.539
  544    HH   TYR  76           HH       TYR  76  31.339  -3.530  -3.530
  545    H    VAL  77           HN       VAL  77  34.736  -0.767  -0.767
  546    HA   VAL  77           HA       VAL  77  35.853  -2.554  -2.554
  547    HB   VAL  77           HB       VAL  77  36.217  -2.385  -2.385
  548   1HG1  VAL  77          HG13      VAL  77  37.869  -3.728  -3.728
  549   2HG1  VAL  77          HG12      VAL  77  36.693  -4.964  -4.964
  550   3HG1  VAL  77          HG11      VAL  77  37.636  -4.153  -4.153
  551   1HG2  VAL  77          HG23      VAL  77  34.109  -3.328  -3.328
  552   2HG2  VAL  77          HG22      VAL  77  34.168  -3.316  -3.316
  553   3HG2  VAL  77          HG21      VAL  77  34.805  -4.696  -4.696
  554    H    LEU  78           HN       LEU  78  37.080   0.152   0.152
  555    HA   LEU  78           HA       LEU  78  39.891  -0.486  -0.486
  556   1HB   LEU  78           HB2      LEU  78  39.007   2.267   2.267
  557   2HB   LEU  78           HB1      LEU  78  40.410   1.349   1.349
  558    HG   LEU  78           HG       LEU  78  37.537   1.087   1.087
  559   1HD1  LEU  78          HD11      LEU  78  40.022   2.132   2.132
  560   2HD1  LEU  78          HD13      LEU  78  39.384   0.867   0.867
  561   3HD1  LEU  78          HD12      LEU  78  38.390   2.269   2.269
  562   1HD2  LEU  78          HD23      LEU  78  39.448  -1.052  -1.052
  563   2HD2  LEU  78          HD22      LEU  78  37.778  -1.141  -1.141
  564   3HD2  LEU  78          HD21      LEU  78  39.084  -0.854  -0.854
  565    H    ASP  79           HN       ASP  79  37.321   0.808   0.808
  566    HA   ASP  79           HA       ASP  79  39.019   2.511   2.511
  567   1HB   ASP  79           HB2      ASP  79  36.541   2.899   2.899
  568   2HB   ASP  79           HB1      ASP  79  36.144   2.071   2.071
  569    H    GLN  80           HN       GLN  80  37.112  -0.401  -0.401
  570    HA   GLN  80           HA       GLN  80  37.273  -0.889  -0.889
  571   1HB   GLN  80           HB2      GLN  80  36.660  -2.845  -2.845
  572   2HB   GLN  80           HB1      GLN  80  36.181  -2.965  -2.965
  573   1HG   GLN  80           HG2      GLN  80  35.357  -0.510  -0.510
  574   2HG   GLN  80           HG1      GLN  80  34.546  -2.018  -2.018
  575   1HE2  GLN  80          HE22      GLN  80  33.062  -0.217  -0.217
  576   2HE2  GLN  80          HE21      GLN  80  33.709   0.482   0.482
  577    H    ALA  81           HN       ALA  81  39.019  -2.036  -2.036
  578    HA   ALA  81           HA       ALA  81  40.562  -4.002  -4.002
  579   1HB   ALA  81           HB1      ALA  81  40.162  -3.942  -3.942
  580   2HB   ALA  81           HB3      ALA  81  41.380  -2.668  -2.668
  581   3HB   ALA  81           HB2      ALA  81  41.817  -4.277  -4.277
  582    H    ALA  82           HN       ALA  82  40.755  -0.595  -0.595
  583    HA   ALA  82           HA       ALA  82  43.600  -0.489  -0.489
  584   1HB   ALA  82           HB1      ALA  82  41.485   1.600   1.600
  585   2HB   ALA  82           HB3      ALA  82  43.101   2.024   2.024
  586   3HB   ALA  82           HB2      ALA  82  42.891   1.228   1.228
  587    H    LYS  83           HN       LYS  83  41.145  -1.328  -1.328
  588    HA   LYS  83           HA       LYS  83  42.561  -0.329  -0.329
  589   1HB   LYS  83           HB2      LYS  83  40.850   1.092   1.092
  590   2HB   LYS  83           HB1      LYS  83  41.202   1.651   1.651
  591   1HG   LYS  83           HG2      LYS  83  39.231  -0.244  -0.244
  592   2HG   LYS  83           HG1      LYS  83  38.726   0.511   0.511
  593   1HD   LYS  83           HD2      LYS  83  39.462   2.034   2.034
  594   2HD   LYS  83           HD1      LYS  83  37.811   1.678   1.678
  595   1HE   LYS  83           HE2      LYS  83  39.668   3.015   3.015
  596   2HE   LYS  83           HE1      LYS  83  38.934   3.979   3.979
  597   1HZ   LYS  83           HZ3      LYS  83  36.797   2.720   2.720
  598   2HZ   LYS  83           HZ2      LYS  83  37.674   2.622   2.622
  599   3HZ   LYS  83           HZ1      LYS  83  37.329   4.137   4.137
  600    H    GLY  84           HN       GLY  84  41.719  -2.982  -2.982
  601   1HA   GLY  84           HA2      GLY  84  41.081  -4.837  -4.837
  602   2HA   GLY  84           HA1      GLY  84  40.422  -3.715  -3.715
  603    H    TRP  85           HN       TRP  85  39.841  -5.066  -5.066
  604    HA   TRP  85           HA       TRP  85  37.327  -4.252  -4.252
  605   1HB   TRP  85           HB2      TRP  85  38.774  -6.794  -6.794
  606   2HB   TRP  85           HB1      TRP  85  37.032  -7.009  -7.009
  607    HD1  TRP  85           HD1      TRP  85  39.785  -6.244  -6.244
  608    HE1  TRP  85           HE1      TRP  85  38.865  -5.292  -5.292
  609    HE3  TRP  85           HE3      TRP  85  35.016  -5.249  -5.249
  610    HZ2  TRP  85           HZ2      TRP  85  36.417  -4.259  -4.259
  611    HZ3  TRP  85           HZ3      TRP  85  33.400  -4.275  -4.275
  612    HH2  TRP  85           HH2      TRP  85  34.086  -3.753  -3.753
  613    H    ALA  86           HN       ALA  86  36.114  -3.600  -3.600
  614    HA   ALA  86           HA       ALA  86  35.515  -5.172  -5.172
  615   1HB   ALA  86           HB2      ALA  86  34.653  -2.659  -2.659
  616   2HB   ALA  86           HB1      ALA  86  33.260  -3.550  -3.550
  617   3HB   ALA  86           HB3      ALA  86  34.612  -3.188  -3.188
  618    H    GLY  87           HN       GLY  87  33.742  -4.776  -4.776
  619   1HA   GLY  87           HA2      GLY  87  31.890  -5.977  -5.977
  620   2HA   GLY  87           HA1      GLY  87  32.852  -7.366  -7.366
  621    HHA  HEC  88           HA       HEM  88  35.996 -10.617 -10.617
  622    HHB  HEC  88           HB       HEM  88  33.818  -5.799  -5.799
  623    HHC  HEC  88           HC       HEM  88  28.177  -8.769  -8.769
  624    HHD  HEC  88           HD       HEM  88  30.828 -13.952 -13.952
  625   1HMA  HEC  88          HMA1      HEM  88  37.369  -6.149  -6.149
  626   2HMA  HEC  88          HMA2      HEM  88  35.913  -5.536  -5.536
  627   3HMA  HEC  88          HMA3      HEM  88  36.133  -5.199  -5.199
  628   1HAA  HEC  88          HAA1      HEM  88  37.315  -7.560  -7.560
  629   2HAA  HEC  88          HAA2      HEM  88  37.315  -9.333  -9.333
  630   1HBA  HEC  88          HBA1      HEM  88  39.233  -8.935  -8.935
  631   2HBA  HEC  88          HBA2      HEM  88  38.874  -7.156  -7.156
  632   1HMB  HEC  88          HMB1      HEM  88  32.626  -4.690  -4.690
  633   2HMB  HEC  88          HMB2      HEM  88  31.178  -4.828  -4.828
  634   3HMB  HEC  88          HMB3      HEM  88  31.034  -4.024  -4.024
  635    HAB  HEC  88           HAB      HEM  88  27.934  -7.016  -7.016
  636   1HBB  HEC  88          HBB1      HEM  88  28.678  -5.337  -5.337
  637   2HBB  HEC  88          HBB2      HEM  88  27.182  -5.032  -5.032
  638   3HBB  HEC  88          HBB3      HEM  88  28.699  -4.132  -4.132
  639   1HMC  HEC  88          HMC1      HEM  88  26.449 -12.193 -12.193
  640   2HMC  HEC  88          HMC2      HEM  88  26.972 -10.885 -10.885
  641   3HMC  HEC  88          HMC3      HEM  88  26.419 -10.466 -10.466
  642    HAC  HEC  88           HAC      HEM  88  27.439 -13.781 -13.781
  643   1HBC  HEC  88          HBC1      HEM  88  29.188 -15.552 -15.552
  644   2HBC  HEC  88          HBC2      HEM  88  27.584 -14.902 -14.902
  645   3HBC  HEC  88          HBC3      HEM  88  29.095 -14.001 -14.001
  646   1HMD  HEC  88          HMD1      HEM  88  32.026 -15.199 -15.199
  647   2HMD  HEC  88          HMD2      HEM  88  33.044 -15.027 -15.027
  648   3HMD  HEC  88          HMD3      HEM  88  33.799 -15.551 -15.551
  649   1HAD  HEC  88          HAD1      HEM  88  35.858 -14.191 -14.191
  650   2HAD  HEC  88          HAD2      HEM  88  36.421 -12.468 -12.468
  651   1HBD  HEC  88          HBD1      HEM  88  35.681 -14.029 -14.029
  652   2HBD  HEC  88          HBD2      HEM  88  34.158 -13.105 -13.105

  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1  32.107   8.694   8.694
    2   2H    ALA   1           HT3      ALA   1  33.115   9.905   9.905
    3   3H    ALA   1           HT2      ALA   1  32.722   9.900   9.900
    4    HA   ALA   1           HA       ALA   1  30.590  10.645  10.645
    5   1HB   ALA   1           HB3      ALA   1  32.364  11.819  11.819
    6   2HB   ALA   1           HB2      ALA   1  30.783  12.480  12.480
    7   3HB   ALA   1           HB1      ALA   1  32.074  12.461  12.461
    8    H    ASP   2           HN       ASP   2  31.934   9.158   9.158
    9    HA   ASP   2           HA       ASP   2  29.134   8.786   8.786
   10   1HB   ASP   2           HB2      ASP   2  31.692   8.736   8.736
   11   2HB   ASP   2           HB1      ASP   2  30.040   8.651   8.651
   12    H    LEU   3           HN       LEU   3  32.188   7.264   7.264
   13    HA   LEU   3           HA       LEU   3  31.465   4.672   4.672
   14   1HB   LEU   3           HB2      LEU   3  33.530   5.263   5.263
   15   2HB   LEU   3           HB1      LEU   3  33.473   3.862   3.862
   16    HG   LEU   3           HG       LEU   3  33.410   6.072   6.072
   17   1HD1  LEU   3          HD11      LEU   3  34.294   7.120   7.120
   18   2HD1  LEU   3          HD13      LEU   3  35.819   6.534   6.534
   19   3HD1  LEU   3          HD12      LEU   3  34.845   7.686   7.686
   20   1HD2  LEU   3          HD23      LEU   3  35.676   4.261   4.261
   21   2HD2  LEU   3          HD22      LEU   3  34.562   3.988   3.988
   22   3HD2  LEU   3          HD21      LEU   3  35.737   5.301   5.301
   23    H    ALA   4           HN       ALA   4  30.587   6.391   6.391
   24    HA   ALA   4           HA       ALA   4  30.213   4.206   4.206
   25   1HB   ALA   4           HB3      ALA   4  29.360   7.012   7.012
   26   2HB   ALA   4           HB2      ALA   4  28.117   5.972   5.972
   27   3HB   ALA   4           HB1      ALA   4  29.718   6.047   6.047
   28    H    ASN   5           HN       ASN   5  28.616   5.428   5.428
   29    HA   ASN   5           HA       ASN   5  26.182   3.843   3.843
   30   1HB   ASN   5           HB2      ASN   5  27.245   5.927   5.927
   31   2HB   ASN   5           HB1      ASN   5  26.541   4.625   4.625
   32   1HD2  ASN   5          HD22      ASN   5  23.502   6.441   6.441
   33   2HD2  ASN   5          HD21      ASN   5  24.746   6.167   6.167
   34    H    GLY   6           HN       GLY   6  29.352   3.605   3.605
   35   1HA   GLY   6           HA2      GLY   6  28.952   1.482   1.482
   36   2HA   GLY   6           HA1      GLY   6  30.457   1.764   1.764
   37    H    ALA   7           HN       ALA   7  29.726   1.372   1.372
   38    HA   ALA   7           HA       ALA   7  29.697  -1.436  -1.436
   39   1HB   ALA   7           HB2      ALA   7  29.690   0.910   0.910
   40   2HB   ALA   7           HB1      ALA   7  28.597  -0.316  -0.316
   41   3HB   ALA   7           HB3      ALA   7  30.289  -0.715  -0.715
   42    H    LYS   8           HN       LYS   8  27.064   0.868   0.868
   43    HA   LYS   8           HA       LYS   8  25.014  -0.834  -0.834
   44   1HB   LYS   8           HB2      LYS   8  24.403   1.430   1.430
   45   2HB   LYS   8           HB1      LYS   8  25.046   1.612   1.612
   46   1HG   LYS   8           HG2      LYS   8  22.791  -0.318  -0.318
   47   2HG   LYS   8           HG1      LYS   8  22.414   1.402   1.402
   48   1HD   LYS   8           HD2      LYS   8  23.635  -0.175  -0.175
   49   2HD   LYS   8           HD1      LYS   8  22.123   0.723   0.723
   50   1HE   LYS   8           HE2      LYS   8  24.936   1.784   1.784
   51   2HE   LYS   8           HE1      LYS   8  23.621   2.139   2.139
   52   1HZ   LYS   8           HZ1      LYS   8  22.515   2.980   2.980
   53   2HZ   LYS   8           HZ3      LYS   8  24.136   3.210   3.210
   54   3HZ   LYS   8           HZ2      LYS   8  23.515   3.983   3.983
   55    H    VAL   9           HN       VAL   9  26.608  -0.541  -0.541
   56    HA   VAL   9           HA       VAL   9  24.676  -2.412  -2.412
   57    HB   VAL   9           HB       VAL   9  26.892  -0.650  -0.650
   58   1HG1  VAL   9          HG12      VAL   9  26.868  -2.880  -2.880
   59   2HG1  VAL   9          HG11      VAL   9  25.176  -2.595  -2.595
   60   3HG1  VAL   9          HG13      VAL   9  26.432  -1.533  -1.533
   61   1HG2  VAL   9          HG23      VAL   9  23.927  -0.645  -0.645
   62   2HG2  VAL   9          HG22      VAL   9  25.053   0.714   0.714
   63   3HG2  VAL   9          HG21      VAL   9  24.625  -0.154  -0.154
   64    H    PHE  10           HN       PHE  10  27.846  -2.364  -2.364
   65    HA   PHE  10           HA       PHE  10  28.582  -4.877  -4.877
   66   1HB   PHE  10           HB2      PHE  10  30.355  -3.271  -3.271
   67   2HB   PHE  10           HB1      PHE  10  30.077  -3.020  -3.020
   68    HD1  PHE  10           HD1      PHE  10  30.443  -4.873  -4.873
   69    HD2  PHE  10           HD2      PHE  10  31.727  -5.112  -5.112
   70    HE1  PHE  10           HE1      PHE  10  31.945  -6.726  -6.726
   71    HE2  PHE  10           HE2      PHE  10  33.246  -6.985  -6.985
   72    HZ   PHE  10           HZ       PHE  10  33.362  -7.783  -7.783
   73    H    SER  11           HN       SER  11  27.315  -3.734  -3.734
   74    HA   SER  11           HA       SER  11  27.917  -6.284  -6.284
   75   1HB   SER  11           HB2      SER  11  26.665  -3.716  -3.716
   76   2HB   SER  11           HB1      SER  11  27.016  -5.135  -5.135
   77    HG   SER  11           HG       SER  11  29.239  -4.864  -4.864
   78    H    GLY  12           HN       GLY  12  25.675  -5.358  -5.358
   79   1HA   GLY  12           HA2      GLY  12  23.616  -7.044  -7.044
   80   2HA   GLY  12           HA1      GLY  12  23.135  -5.481  -5.481
   81    H    ASN  13           HN       ASN  13  25.612  -6.631  -6.631
   82    HA   ASN  13           HA       ASN  13  23.932  -8.353  -8.353
   83   1HB   ASN  13           HB2      ASN  13  25.225  -5.960  -5.960
   84   2HB   ASN  13           HB1      ASN  13  23.876  -6.939  -6.939
   85   1HD2  ASN  13          HD22      ASN  13  23.108  -4.108  -4.108
   86   2HD2  ASN  13          HD21      ASN  13  24.653  -4.821  -4.821
   87    H    CYS  14           HN       CYS  14  26.897  -6.385  -6.385
   88    HA   CYS  14           HA       CYS  14  28.412  -8.313  -8.313
   89   1HB   CYS  14           HB2      CYS  14  29.608  -6.344  -6.344
   90   2HB   CYS  14           HB1      CYS  14  30.287  -6.916  -6.916
   91    H    ALA  15           HN       ALA  15  27.897  -7.830  -7.830
   92    HA   ALA  15           HA       ALA  15  29.925  -9.481  -9.481
   93   1HB   ALA  15           HB2      ALA  15  27.240  -8.588  -8.588
   94   2HB   ALA  15           HB1      ALA  15  27.921  -9.991  -9.991
   95   3HB   ALA  15           HB3      ALA  15  28.802  -8.463  -8.463
   96    H    ALA  16           HN       ALA  16  26.785 -10.384 -10.384
   97    HA   ALA  16           HA       ALA  16  26.710 -13.094 -13.094
   98   1HB   ALA  16           HB2      ALA  16  24.950 -11.767 -11.767
   99   2HB   ALA  16           HB1      ALA  16  25.895 -12.153 -12.153
  100   3HB   ALA  16           HB3      ALA  16  25.185 -13.449 -13.449
  101    H    CYS  17           HN       CYS  17  28.327 -11.613 -11.613
  102    HA   CYS  17           HA       CYS  17  29.776 -14.184 -14.184
  103   1HB   CYS  17           HB2      CYS  17  29.305 -11.868 -11.868
  104   2HB   CYS  17           HB1      CYS  17  30.318 -13.247 -13.247
  105    H    HIS  18           HN       HIS  18  30.176 -11.638 -11.638
  106    HA   HIS  18           HA       HIS  18  33.093 -11.649 -11.649
  107   1HB   HIS  18           HB2      HIS  18  31.516  -9.116  -9.116
  108   2HB   HIS  18           HB1      HIS  18  33.258  -9.210  -9.210
  109    HD1  HIS  18           HD1      HIS  18  34.673 -10.301 -10.301
  110    HD2  HIS  18           HD2      HIS  18  30.629 -10.144 -10.144
  111    HE1  HIS  18           HE1      HIS  18  34.504 -10.849 -10.849
  112    H    MET  19           HN       MET  19  31.218 -12.356 -12.356
  113    HA   MET  19           HA       MET  19  30.845 -10.280 -10.280
  114   1HB   MET  19           HB2      MET  19  30.427 -13.093 -13.093
  115   2HB   MET  19           HB1      MET  19  31.230 -12.704 -12.704
  116   1HG   MET  19           HG2      MET  19  29.408 -10.707 -10.707
  117   2HG   MET  19           HG1      MET  19  28.521 -11.957 -11.957
  118   1HE   MET  19           HE3      MET  19  26.692 -12.493 -12.493
  119   2HE   MET  19           HE2      MET  19  27.482 -14.002 -14.002
  120   3HE   MET  19           HE1      MET  19  26.883 -13.788 -13.788
  121    H    GLY  20           HN       GLY  20  32.172  -9.523  -9.523
  122   1HA   GLY  20           HA2      GLY  20  34.278  -8.940  -8.940
  123   2HA   GLY  20           HA1      GLY  20  34.424 -10.683 -10.683
  124    H    GLY  21           HN       GLY  21  34.292  -8.767  -8.767
  125   1HA   GLY  21           HA2      GLY  21  35.632  -8.953  -8.953
  126   2HA   GLY  21           HA1      GLY  21  36.928  -8.628  -8.628
  127    H    GLY  22           HN       GLY  22  34.881 -11.346 -11.346
  128   1HA   GLY  22           HA2      GLY  22  37.319 -13.013 -13.013
  129   2HA   GLY  22           HA1      GLY  22  36.050 -13.591 -13.591
  130    H    ASN  23           HN       ASN  23  36.995 -13.173 -13.173
  131    HA   ASN  23           HA       ASN  23  34.665 -13.430 -13.430
  132   1HB   ASN  23           HB2      ASN  23  37.284 -13.655 -13.655
  133   2HB   ASN  23           HB1      ASN  23  36.806 -15.350 -15.350
  134   1HD2  ASN  23          HD22      ASN  23  35.224 -12.610 -12.610
  135   2HD2  ASN  23          HD21      ASN  23  35.927 -12.068 -12.068
  136    H    VAL  24           HN       VAL  24  33.149 -15.072 -15.072
  137    HA   VAL  24           HA       VAL  24  33.417 -17.476 -17.476
  138    HB   VAL  24           HB       VAL  24  31.026 -17.632 -17.632
  139   1HG1  VAL  24          HG12      VAL  24  31.940 -14.747 -14.747
  140   2HG1  VAL  24          HG11      VAL  24  30.356 -15.312 -15.312
  141   3HG1  VAL  24          HG13      VAL  24  31.816 -15.912 -15.912
  142   1HG2  VAL  24          HG22      VAL  24  31.173 -15.553 -15.553
  143   2HG2  VAL  24          HG21      VAL  24  30.618 -17.221 -17.221
  144   3HG2  VAL  24          HG23      VAL  24  29.675 -16.059 -16.059
  145    H    VAL  25           HN       VAL  25  33.375 -16.478 -16.478
  146    HA   VAL  25           HA       VAL  25  32.738 -19.235 -19.235
  147    HB   VAL  25           HB       VAL  25  33.240 -16.739 -16.739
  148   1HG1  VAL  25          HG11      VAL  25  32.340 -19.551 -19.551
  149   2HG1  VAL  25          HG13      VAL  25  31.836 -18.223 -18.223
  150   3HG1  VAL  25          HG12      VAL  25  33.550 -18.580 -18.580
  151   1HG2  VAL  25          HG21      VAL  25  30.905 -17.679 -17.679
  152   2HG2  VAL  25          HG23      VAL  25  31.222 -16.093 -16.093
  153   3HG2  VAL  25          HG22      VAL  25  30.557 -17.386 -17.386
  154    H    MET  26           HN       MET  26  35.112 -16.783 -16.783
  155    HA   MET  26           HA       MET  26  37.012 -18.934 -18.934
  156   1HB   MET  26           HB2      MET  26  37.493 -15.946 -15.946
  157   2HB   MET  26           HB1      MET  26  38.357 -17.212 -17.212
  158   1HG   MET  26           HG2      MET  26  35.404 -16.606 -16.606
  159   2HG   MET  26           HG1      MET  26  36.670 -16.010 -16.010
  160   1HE   MET  26           HE2      MET  26  34.759 -16.894 -16.894
  161   2HE   MET  26           HE1      MET  26  35.463 -17.998 -17.998
  162   3HE   MET  26           HE3      MET  26  34.215 -18.569 -18.569
  163    H    ALA  27           HN       ALA  27  39.071 -19.172 -19.172
  164    HA   ALA  27           HA       ALA  27  39.174 -18.022 -18.022
  165   1HB   ALA  27           HB2      ALA  27  40.551 -20.473 -20.473
  166   2HB   ALA  27           HB1      ALA  27  40.656 -19.927 -19.927
  167   3HB   ALA  27           HB3      ALA  27  39.116 -20.489 -20.489
  168    H    ASN  28           HN       ASN  28  40.049 -16.043 -16.043
  169    HA   ASN  28           HA       ASN  28  42.836 -15.811 -15.811
  170   1HB   ASN  28           HB2      ASN  28  43.706 -15.755 -15.755
  171   2HB   ASN  28           HB1      ASN  28  42.850 -17.288 -17.288
  172   1HD2  ASN  28          HD22      ASN  28  40.026 -16.152 -16.152
  173   2HD2  ASN  28          HD21      ASN  28  40.327 -17.004 -17.004
  174    H    LYS  29           HN       LYS  29  40.077 -14.686 -14.686
  175    HA   LYS  29           HA       LYS  29  41.068 -11.904 -11.904
  176   1HB   LYS  29           HB2      LYS  29  39.275 -13.399 -13.399
  177   2HB   LYS  29           HB1      LYS  29  38.392 -12.041 -12.041
  178   1HG   LYS  29           HG2      LYS  29  39.348 -10.766 -10.766
  179   2HG   LYS  29           HG1      LYS  29  40.855 -10.944 -10.944
  180   1HD   LYS  29           HD2      LYS  29  41.661 -12.592 -12.592
  181   2HD   LYS  29           HD1      LYS  29  40.047 -13.147 -13.147
  182   1HE   LYS  29           HE2      LYS  29  39.709 -11.068 -11.068
  183   2HE   LYS  29           HE1      LYS  29  41.341 -10.551 -10.551
  184   1HZ   LYS  29           HZ1      LYS  29  41.321 -13.199 -13.199
  185   2HZ   LYS  29           HZ3      LYS  29  40.613 -12.115 -12.115
  186   3HZ   LYS  29           HZ2      LYS  29  42.193 -11.841 -11.841
  187    H    THR  30           HN       THR  30  40.927 -11.433 -11.433
  188    HA   THR  30           HA       THR  30  38.221 -11.680 -11.680
  189    HB   THR  30           HB       THR  30  40.669 -10.641 -10.641
  190    HG1  THR  30           HG1      THR  30  41.563 -12.441 -12.441
  191   1HG2  THR  30          HG21      THR  30  38.036 -11.792 -11.792
  192   2HG2  THR  30          HG23      THR  30  39.385 -12.372 -12.372
  193   3HG2  THR  30          HG22      THR  30  39.035 -10.646 -10.646
  194    H    LEU  31           HN       LEU  31  38.191  -9.526  -9.526
  195    HA   LEU  31           HA       LEU  31  38.191  -7.225  -7.225
  196   1HB   LEU  31           HB2      LEU  31  36.755  -7.510  -7.510
  197   2HB   LEU  31           HB1      LEU  31  36.649  -6.124  -6.124
  198    HG   LEU  31           HG       LEU  31  35.124  -8.568  -8.568
  199   1HD1  LEU  31          HD11      LEU  31  34.681  -5.946  -5.946
  200   2HD1  LEU  31          HD13      LEU  31  34.885  -6.439  -6.439
  201   3HD1  LEU  31          HD12      LEU  31  33.634  -7.188  -7.188
  202   1HD2  LEU  31          HD22      LEU  31  36.851  -7.954  -7.954
  203   2HD2  LEU  31          HD21      LEU  31  36.584  -9.513  -9.513
  204   3HD2  LEU  31          HD23      LEU  31  35.295  -8.759  -8.759
  205    H    LYS  32           HN       LYS  32  39.970  -8.515  -8.515
  206    HA   LYS  32           HA       LYS  32  40.574  -6.276  -6.276
  207   1HB   LYS  32           HB2      LYS  32  42.167  -8.689  -8.689
  208   2HB   LYS  32           HB1      LYS  32  42.951  -7.402  -7.402
  209   1HG   LYS  32           HG2      LYS  32  42.013  -8.156  -8.156
  210   2HG   LYS  32           HG1      LYS  32  40.405  -7.978  -7.978
  211   1HD   LYS  32           HD2      LYS  32  40.411 -10.263 -10.263
  212   2HD   LYS  32           HD1      LYS  32  41.113 -10.223 -10.223
  213   1HE   LYS  32           HE2      LYS  32  43.378  -9.952  -9.952
  214   2HE   LYS  32           HE1      LYS  32  42.447 -10.712 -10.712
  215   1HZ   LYS  32           HZ2      LYS  32  41.892 -12.514 -12.514
  216   2HZ   LYS  32           HZ1      LYS  32  42.832 -11.791 -11.791
  217   3HZ   LYS  32           HZ3      LYS  32  43.574 -12.369 -12.369
  218    H    LYS  33           HN       LYS  33  43.147  -7.342  -7.342
  219    HA   LYS  33           HA       LYS  33  43.085  -5.359  -5.359
  220   1HB   LYS  33           HB2      LYS  33  44.844  -3.760  -3.760
  221   2HB   LYS  33           HB1      LYS  33  43.112  -3.514  -3.514
  222   1HG   LYS  33           HG2      LYS  33  43.168  -4.190  -4.190
  223   2HG   LYS  33           HG1      LYS  33  44.398  -5.422  -5.422
  224   1HD   LYS  33           HD2      LYS  33  45.251  -2.586  -2.586
  225   2HD   LYS  33           HD1      LYS  33  44.930  -3.145  -3.145
  226   1HE   LYS  33           HE2      LYS  33  46.454  -5.068  -5.068
  227   2HE   LYS  33           HE1      LYS  33  46.806  -4.454  -4.454
  228   1HZ   LYS  33           HZ3      LYS  33  47.302  -2.287  -2.287
  229   2HZ   LYS  33           HZ2      LYS  33  47.658  -3.449  -3.449
  230   3HZ   LYS  33           HZ1      LYS  33  48.484  -3.466  -3.466
  231    H    GLU  34           HN       GLU  34  45.257  -6.901  -6.901
  232    HA   GLU  34           HA       GLU  34  47.670  -6.712  -6.712
  233   1HB   GLU  34           HB2      GLU  34  46.703  -9.091  -9.091
  234   2HB   GLU  34           HB1      GLU  34  48.382  -8.711  -8.711
  235   1HG   GLU  34           HG2      GLU  34  48.290  -6.677  -6.677
  236   2HG   GLU  34           HG1      GLU  34  46.548  -6.852  -6.852
  237    H    ALA  35           HN       ALA  35  44.904  -8.746  -8.746
  238    HA   ALA  35           HA       ALA  35  46.381 -10.170 -10.170
  239   1HB   ALA  35           HB2      ALA  35  45.170 -11.500 -11.500
  240   2HB   ALA  35           HB1      ALA  35  43.663 -10.810 -10.810
  241   3HB   ALA  35           HB3      ALA  35  44.647 -11.845 -11.845
  242    H    LEU  36           HN       LEU  36  43.172  -8.883  -8.883
  243    HA   LEU  36           HA       LEU  36  42.318  -8.821  -8.821
  244   1HB   LEU  36           HB2      LEU  36  40.683  -7.037  -7.037
  245   2HB   LEU  36           HB1      LEU  36  40.616  -8.670  -8.670
  246    HG   LEU  36           HG       LEU  36  42.534  -6.837  -6.837
  247   1HD1  LEU  36          HD12      LEU  36  39.547  -6.438  -6.438
  248   2HD1  LEU  36          HD11      LEU  36  40.646  -5.853  -5.853
  249   3HD1  LEU  36          HD13      LEU  36  40.781  -5.250  -5.250
  250   1HD2  LEU  36          HD22      LEU  36  41.302  -9.292  -9.292
  251   2HD2  LEU  36          HD21      LEU  36  42.298  -8.360  -8.360
  252   3HD2  LEU  36          HD23      LEU  36  40.553  -8.163  -8.163
  253    H    GLU  37           HN       GLU  37  43.811  -6.196  -6.196
  254    HA   GLU  37           HA       GLU  37  43.533  -4.301  -4.301
  255   1HB   GLU  37           HB2      GLU  37  43.928  -3.563  -3.563
  256   2HB   GLU  37           HB1      GLU  37  45.521  -4.326  -4.326
  257   1HG   GLU  37           HG2      GLU  37  46.092  -2.881  -2.881
  258   2HG   GLU  37           HG1      GLU  37  44.570  -2.029  -2.029
  259    H    GLN  38           HN       GLN  38  45.671  -6.898  -6.898
  260    HA   GLN  38           HA       GLN  38  47.902  -5.962  -5.962
  261   1HB   GLN  38           HB2      GLN  38  48.232  -7.580  -7.580
  262   2HB   GLN  38           HB1      GLN  38  47.040  -8.663  -8.663
  263   1HG   GLN  38           HG2      GLN  38  49.276  -9.436  -9.436
  264   2HG   GLN  38           HG1      GLN  38  48.440  -8.850  -8.850
  265   1HE2  GLN  38          HE22      GLN  38  50.461  -5.852  -5.852
  266   2HE2  GLN  38          HE21      GLN  38  48.892  -6.432  -6.432
  267    H    PHE  39           HN       PHE  39  46.266  -8.988  -8.988
  268    HA   PHE  39           HA       PHE  39  46.328  -8.531  -8.531
  269   1HB   PHE  39           HB2      PHE  39  45.942 -10.880 -10.880
  270   2HB   PHE  39           HB1      PHE  39  47.102 -10.633 -10.633
  271    HD1  PHE  39           HD1      PHE  39  44.549  -9.469  -9.469
  272    HD2  PHE  39           HD2      PHE  39  45.584 -13.146 -13.146
  273    HE1  PHE  39           HE1      PHE  39  43.091 -10.700 -10.700
  274    HE2  PHE  39           HE2      PHE  39  44.117 -14.383 -14.383
  275    HZ   PHE  39           HZ       PHE  39  42.869 -13.166 -13.166
  276    H    GLY  40           HN       GLY  40  44.249  -7.722  -7.722
  277   1HA   GLY  40           HA2      GLY  40  41.818  -8.519  -8.519
  278   2HA   GLY  40           HA1      GLY  40  41.851  -8.051  -8.051
  279    H    MET  41           HN       MET  41  43.728  -5.764  -5.764
  280    HA   MET  41           HA       MET  41  43.323  -3.468  -3.468
  281   1HB   MET  41           HB2      MET  41  42.214  -4.864  -4.864
  282   2HB   MET  41           HB1      MET  41  41.626  -3.220  -3.220
  283   1HG   MET  41           HG2      MET  41  44.383  -3.111  -3.111
  284   2HG   MET  41           HG1      MET  41  44.235  -4.103  -4.103
  285   1HE   MET  41           HE3      MET  41  43.255  -3.771  -3.771
  286   2HE   MET  41           HE2      MET  41  42.112  -2.506  -2.506
  287   3HE   MET  41           HE1      MET  41  43.811  -2.336  -2.336
  288    H    TYR  42           HN       TYR  42  42.192  -3.907  -3.907
  289    HA   TYR  42           HA       TYR  42  39.274  -3.875  -3.875
  290   1HB   TYR  42           HB2      TYR  42  39.516  -4.389  -4.389
  291   2HB   TYR  42           HB1      TYR  42  41.069  -4.965  -4.965
  292    HD1  TYR  42           HD1      TYR  42  42.556  -2.471  -2.471
  293    HD2  TYR  42           HD2      TYR  42  39.900  -3.550  -3.550
  294    HE1  TYR  42           HE1      TYR  42  43.715  -0.875  -0.875
  295    HE2  TYR  42           HE2      TYR  42  41.059  -1.953  -1.953
  296    HH   TYR  42           HH       TYR  42  43.639   0.162   0.162
  297    H    SER  43           HN       SER  43  41.607  -1.529  -1.529
  298    HA   SER  43           HA       SER  43  41.059   0.652   0.652
  299   1HB   SER  43           HB2      SER  43  42.203   0.237   0.237
  300   2HB   SER  43           HB1      SER  43  41.115   1.618   1.618
  301    HG   SER  43           HG       SER  43  43.465   1.782   1.782
  302    H    GLU  44           HN       GLU  44  39.667   2.591   2.591
  303    HA   GLU  44           HA       GLU  44  36.946   2.045   2.045
  304   1HB   GLU  44           HB2      GLU  44  36.735   4.492   4.492
  305   2HB   GLU  44           HB1      GLU  44  37.455   4.217   4.217
  306   1HG   GLU  44           HG2      GLU  44  39.565   3.988   3.988
  307   2HG   GLU  44           HG1      GLU  44  38.641   5.406   5.406
  308    H    ASP  45           HN       ASP  45  38.394   3.706   3.706
  309    HA   ASP  45           HA       ASP  45  36.354   3.033   3.033
  310   1HB   ASP  45           HB2      ASP  45  38.293   4.661   4.661
  311   2HB   ASP  45           HB1      ASP  45  39.207   3.250   3.250
  312    H    ALA  46           HN       ALA  46  38.761   1.004   1.004
  313    HA   ALA  46           HA       ALA  46  38.708  -0.929  -0.929
  314   1HB   ALA  46           HB2      ALA  46  40.577  -0.395  -0.395
  315   2HB   ALA  46           HB1      ALA  46  39.715  -1.616  -1.616
  316   3HB   ALA  46           HB3      ALA  46  40.381  -2.020  -2.020
  317    H    ILE  47           HN       ILE  47  38.056  -1.702  -1.702
  318    HA   ILE  47           HA       ILE  47  36.305  -3.826  -3.826
  319    HB   ILE  47           HB       ILE  47  37.310  -3.315  -3.315
  320   1HG1  ILE  47          HG12      ILE  47  34.291  -3.508  -3.508
  321   2HG1  ILE  47          HG11      ILE  47  35.432  -4.835  -4.835
  322   1HG2  ILE  47          HG23      ILE  47  36.335  -0.780  -0.780
  323   2HG2  ILE  47          HG22      ILE  47  35.192  -1.435  -1.435
  324   3HG2  ILE  47          HG21      ILE  47  36.914  -1.388  -1.388
  325   1HD1  ILE  47          HD13      ILE  47  34.984  -2.609  -2.609
  326   2HD1  ILE  47          HD12      ILE  47  34.354  -4.240  -4.240
  327   3HD1  ILE  47          HD11      ILE  47  36.093  -3.961  -3.961
  328    H    ILE  48           HN       ILE  48  35.794  -0.435  -0.435
  329    HA   ILE  48           HA       ILE  48  32.980  -0.284  -0.284
  330    HB   ILE  48           HB       ILE  48  35.009   1.375   1.375
  331   1HG1  ILE  48          HG12      ILE  48  32.959   2.156   2.156
  332   2HG1  ILE  48          HG11      ILE  48  34.535   1.486   1.486
  333   1HG2  ILE  48          HG22      ILE  48  32.137   1.263   1.263
  334   2HG2  ILE  48          HG21      ILE  48  32.700   2.870   2.870
  335   3HG2  ILE  48          HG23      ILE  48  33.433   2.040   2.040
  336   1HD1  ILE  48          HD12      ILE  48  35.370   3.381   3.381
  337   2HD1  ILE  48          HD11      ILE  48  33.854   4.135   4.135
  338   3HD1  ILE  48          HD13      ILE  48  35.069   3.731   3.731
  339    H    TYR  49           HN       TYR  49  34.918  -0.988  -0.988
  340    HA   TYR  49           HA       TYR  49  32.517  -1.453  -1.453
  341   1HB   TYR  49           HB2      TYR  49  34.657  -0.622  -0.622
  342   2HB   TYR  49           HB1      TYR  49  35.420  -2.151  -2.151
  343    HD1  TYR  49           HD1      TYR  49  34.336  -4.320  -4.320
  344    HD2  TYR  49           HD2      TYR  49  33.430  -0.431  -0.431
  345    HE1  TYR  49           HE1      TYR  49  33.433  -5.364  -5.364
  346    HE2  TYR  49           HE2      TYR  49  32.523  -1.473  -1.473
  347    HH   TYR  49           HH       TYR  49  31.464  -4.154  -4.154
  348    H    GLN  50           HN       GLN  50  34.444  -3.204  -3.204
  349    HA   GLN  50           HA       GLN  50  33.664  -5.816  -5.816
  350   1HB   GLN  50           HB2      GLN  50  35.734  -6.080  -6.080
  351   2HB   GLN  50           HB1      GLN  50  35.465  -4.812  -4.812
  352   1HG   GLN  50           HG2      GLN  50  35.466  -6.627  -6.627
  353   2HG   GLN  50           HG1      GLN  50  33.756  -6.612  -6.612
  354   1HE2  GLN  50          HE22      GLN  50  36.021  -9.285  -9.285
  355   2HE2  GLN  50          HE21      GLN  50  36.606  -7.711  -7.711
  356    H    VAL  51           HN       VAL  51  32.250  -3.417  -3.417
  357    HA   VAL  51           HA       VAL  51  30.463  -5.328  -5.328
  358    HB   VAL  51           HB       VAL  51  30.799  -2.340  -2.340
  359   1HG1  VAL  51          HG11      VAL  51  28.964  -4.353  -4.353
  360   2HG1  VAL  51          HG13      VAL  51  29.824  -3.491  -3.491
  361   3HG1  VAL  51          HG12      VAL  51  28.873  -2.595  -2.595
  362   1HG2  VAL  51          HG21      VAL  51  32.629  -4.327  -4.327
  363   2HG2  VAL  51          HG23      VAL  51  32.538  -2.730  -2.730
  364   3HG2  VAL  51          HG22      VAL  51  31.722  -4.101  -4.101
  365    H    GLN  52           HN       GLN  52  30.531  -2.629  -2.629
  366    HA   GLN  52           HA       GLN  52  27.700  -2.201  -2.201
  367   1HB   GLN  52           HB2      GLN  52  30.050  -1.129  -1.129
  368   2HB   GLN  52           HB1      GLN  52  28.960  -1.577  -1.577
  369   1HG   GLN  52           HG2      GLN  52  27.423   0.005   0.005
  370   2HG   GLN  52           HG1      GLN  52  27.666  -0.218  -0.218
  371   1HE2  GLN  52          HE22      GLN  52  30.611   2.018   2.018
  372   2HE2  GLN  52          HE21      GLN  52  30.226   0.459   0.459
  373    H    HIS  53           HN       HIS  53  29.676  -4.738  -4.738
  374    HA   HIS  53           HA       HIS  53  27.517  -5.911  -5.911
  375   1HB   HIS  53           HB2      HIS  53  29.469  -6.117  -6.117
  376   2HB   HIS  53           HB1      HIS  53  27.982  -5.195  -5.195
  377    HD1  HIS  53           HD1      HIS  53  29.171  -3.464  -3.464
  378    HD2  HIS  53           HD2      HIS  53  30.702  -3.616  -3.616
  379    HE1  HIS  53           HE1      HIS  53  30.551  -1.368  -1.368
  380    H    GLY  54           HN       GLY  54  29.070  -6.541  -6.541
  381   1HA   GLY  54           HA2      GLY  54  30.409  -8.272  -8.272
  382   2HA   GLY  54           HA1      GLY  54  29.621  -9.234  -9.234
  383    H    LYS  55           HN       LYS  55  31.151 -10.310 -10.310
  384    HA   LYS  55           HA       LYS  55  32.867  -9.671  -9.671
  385   1HB   LYS  55           HB2      LYS  55  33.901  -8.564  -8.564
  386   2HB   LYS  55           HB1      LYS  55  35.033  -9.684  -9.684
  387   1HG   LYS  55           HG2      LYS  55  35.052  -7.130  -7.130
  388   2HG   LYS  55           HG1      LYS  55  35.326  -8.398  -8.398
  389   1HD   LYS  55           HD2      LYS  55  32.486  -7.874  -7.874
  390   2HD   LYS  55           HD1      LYS  55  33.354  -6.375  -6.375
  391   1HE   LYS  55           HE2      LYS  55  33.502  -8.926  -8.926
  392   2HE   LYS  55           HE1      LYS  55  32.796  -7.389  -7.389
  393   1HZ   LYS  55           HZ1      LYS  55  35.145  -6.488  -6.488
  394   2HZ   LYS  55           HZ3      LYS  55  35.626  -8.104  -8.104
  395   3HZ   LYS  55           HZ2      LYS  55  34.877  -7.284  -7.284
  396    H    ASN  56           HN       ASN  56  33.664 -11.574 -11.574
  397    HA   ASN  56           HA       ASN  56  34.229 -13.843 -13.843
  398   1HB   ASN  56           HB2      ASN  56  35.025 -13.118 -13.118
  399   2HB   ASN  56           HB1      ASN  56  35.251 -14.741 -14.741
  400   1HD2  ASN  56          HD22      ASN  56  37.742 -11.731 -11.731
  401   2HD2  ASN  56          HD21      ASN  56  36.448 -11.442 -11.442
  402    H    ALA  57           HN       ALA  57  33.317 -13.951 -13.951
  403    HA   ALA  57           HA       ALA  57  30.714 -15.195 -15.195
  404   1HB   ALA  57           HB2      ALA  57  32.833 -16.248 -16.248
  405   2HB   ALA  57           HB1      ALA  57  31.141 -16.702 -16.702
  406   3HB   ALA  57           HB3      ALA  57  31.984 -17.096 -17.096
  407    H    MET  58           HN       MET  58  30.794 -12.570 -12.570
  408    HA   MET  58           HA       MET  58  29.800 -12.534 -12.534
  409   1HB   MET  58           HB2      MET  58  31.950 -11.353 -11.353
  410   2HB   MET  58           HB1      MET  58  31.278 -10.339 -10.339
  411   1HG   MET  58           HG2      MET  58  29.589  -9.481  -9.481
  412   2HG   MET  58           HG1      MET  58  30.327 -10.476 -10.476
  413   1HE   MET  58           HE3      MET  58  30.086  -7.942  -7.942
  414   2HE   MET  58           HE2      MET  58  31.118  -6.601  -6.601
  415   3HE   MET  58           HE1      MET  58  29.837  -7.156  -7.156
  416    HA   PRO  59           HA       PRO  59  26.020 -11.223 -11.223
  417   1HB   PRO  59           HB2      PRO  59  24.937 -10.046 -10.046
  418   2HB   PRO  59           HB1      PRO  59  24.954 -11.784 -11.784
  419   1HG   PRO  59           HG2      PRO  59  26.666 -10.163 -10.163
  420   2HG   PRO  59           HG1      PRO  59  26.157 -11.854 -11.854
  421   1HD   PRO  59           HD2      PRO  59  28.673 -11.019 -11.019
  422   2HD   PRO  59           HD1      PRO  59  27.989 -12.617 -12.617
  423    H    ALA  60           HN       ALA  60  26.320  -9.646  -9.646
  424    HA   ALA  60           HA       ALA  60  27.316  -7.038  -7.038
  425   1HB   ALA  60           HB1      ALA  60  25.631  -8.471  -8.471
  426   2HB   ALA  60           HB3      ALA  60  25.754  -6.716  -6.716
  427   3HB   ALA  60           HB2      ALA  60  27.208  -7.710  -7.710
  428    H    PHE  61           HN       PHE  61  26.405  -5.407  -5.407
  429    HA   PHE  61           HA       PHE  61  23.560  -5.498  -5.498
  430   1HB   PHE  61           HB2      PHE  61  25.796  -3.631  -3.631
  431   2HB   PHE  61           HB1      PHE  61  24.129  -3.449  -3.449
  432    HD1  PHE  61           HD1      PHE  61  26.756  -6.112  -6.112
  433    HD2  PHE  61           HD2      PHE  61  23.525  -4.489  -4.489
  434    HE1  PHE  61           HE1      PHE  61  27.151  -7.824  -7.824
  435    HE2  PHE  61           HE2      PHE  61  23.923  -6.206  -6.206
  436    HZ   PHE  61           HZ       PHE  61  25.746  -7.867  -7.867
  437    H    ALA  62           HN       ALA  62  25.874  -3.294  -3.294
  438    HA   ALA  62           HA       ALA  62  25.469  -1.422  -1.422
  439   1HB   ALA  62           HB2      ALA  62  24.609  -3.878  -3.878
  440   2HB   ALA  62           HB1      ALA  62  23.466  -2.627  -2.627
  441   3HB   ALA  62           HB3      ALA  62  25.185  -2.429  -2.429
  442    H    GLY  63           HN       GLY  63  23.624  -1.710  -1.710
  443   1HA   GLY  63           HA2      GLY  63  22.083   0.314   0.314
  444   2HA   GLY  63           HA1      GLY  63  21.247  -0.303  -0.303
  445    H    ARG  64           HN       ARG  64  22.630  -2.344  -2.344
  446    HA   ARG  64           HA       ARG  64  19.895  -3.347  -3.347
  447   1HB   ARG  64           HB2      ARG  64  21.357  -5.118  -5.118
  448   2HB   ARG  64           HB1      ARG  64  22.673  -4.501  -4.501
  449   1HG   ARG  64           HG2      ARG  64  21.271  -4.951  -4.951
  450   2HG   ARG  64           HG1      ARG  64  20.083  -5.725  -5.725
  451   1HD   ARG  64           HD2      ARG  64  22.800  -6.636  -6.636
  452   2HD   ARG  64           HD1      ARG  64  22.308  -6.963  -6.963
  453    HE   ARG  64           HE       ARG  64  20.770  -7.910  -7.910
  454   1HH1  ARG  64          HH21      ARG  64  19.084  -8.101  -8.101
  455   2HH1  ARG  64          HH22      ARG  64  19.503  -9.620  -9.620
  456   1HH2  ARG  64          HH11      ARG  64  22.507  -9.900  -9.900
  457   2HH2  ARG  64          HH12      ARG  64  21.440 -10.639 -10.639
  458    H    LEU  65           HN       LEU  65  22.994  -2.415  -2.415
  459    HA   LEU  65           HA       LEU  65  22.061  -2.212  -2.212
  460   1HB   LEU  65           HB2      LEU  65  24.269  -0.647  -0.647
  461   2HB   LEU  65           HB1      LEU  65  24.074  -0.880  -0.880
  462    HG   LEU  65           HG       LEU  65  24.715  -2.986  -2.986
  463   1HD1  LEU  65          HD13      LEU  65  26.266  -1.357  -1.357
  464   2HD1  LEU  65          HD12      LEU  65  26.356  -3.020  -3.020
  465   3HD1  LEU  65          HD11      LEU  65  26.829  -2.637  -2.637
  466   1HD2  LEU  65          HD23      LEU  65  23.628  -3.199  -3.199
  467   2HD2  LEU  65          HD22      LEU  65  23.274  -4.192  -4.192
  468   3HD2  LEU  65          HD21      LEU  65  24.798  -4.400  -4.400
  469    H    THR  66           HN       THR  66  23.005   0.628   0.628
  470    HA   THR  66           HA       THR  66  20.390   1.847   1.847
  471    HB   THR  66           HB       THR  66  22.562   2.652   2.652
  472    HG1  THR  66           HG1      THR  66  20.872   1.210   1.210
  473   1HG2  THR  66          HG21      THR  66  20.751   4.373   4.373
  474   2HG2  THR  66          HG23      THR  66  20.523   4.515   4.515
  475   3HG2  THR  66          HG22      THR  66  22.112   4.805   4.805
  476    H    ASP  67           HN       ASP  67  23.840   2.697   2.697
  477    HA   ASP  67           HA       ASP  67  24.380   3.320   3.320
  478   1HB   ASP  67           HB2      ASP  67  22.332   5.213   5.213
  479   2HB   ASP  67           HB1      ASP  67  23.715   5.967   5.967
  480    H    GLU  68           HN       GLU  68  24.028   5.418   5.418
  481    HA   GLU  68           HA       GLU  68  26.710   6.474   6.474
  482   1HB   GLU  68           HB2      GLU  68  24.649   6.236   6.236
  483   2HB   GLU  68           HB1      GLU  68  26.150   7.167   7.167
  484   1HG   GLU  68           HG2      GLU  68  23.886   7.633   7.633
  485   2HG   GLU  68           HG1      GLU  68  24.371   8.689   8.689
  486    H    GLN  69           HN       GLN  69  25.640   3.402   3.402
  487    HA   GLN  69           HA       GLN  69  27.805   2.758   2.758
  488   1HB   GLN  69           HB2      GLN  69  25.966   0.608   0.608
  489   2HB   GLN  69           HB1      GLN  69  26.407   1.411   1.411
  490   1HG   GLN  69           HG2      GLN  69  24.344   2.387   2.387
  491   2HG   GLN  69           HG1      GLN  69  23.989   1.638   1.638
  492   1HE2  GLN  69          HE22      GLN  69  25.974   4.859   4.859
  493   2HE2  GLN  69          HE21      GLN  69  26.686   3.365   3.365
  494    H    ILE  70           HN       ILE  70  26.388   2.119   2.119
  495    HA   ILE  70           HA       ILE  70  28.034  -0.151  -0.151
  496    HB   ILE  70           HB       ILE  70  27.148   2.167   2.167
  497   1HG1  ILE  70          HG12      ILE  70  25.279   0.879   0.879
  498   2HG1  ILE  70          HG11      ILE  70  25.340   0.679   0.679
  499   1HG2  ILE  70          HG21      ILE  70  29.063   0.252   0.252
  500   2HG2  ILE  70          HG23      ILE  70  27.603  -0.469  -0.469
  501   3HG2  ILE  70          HG22      ILE  70  28.134   1.123   1.123
  502   1HD1  ILE  70          HD13      ILE  70  26.623  -1.247  -1.247
  503   2HD1  ILE  70          HD12      ILE  70  25.013  -1.476  -1.476
  504   3HD1  ILE  70          HD11      ILE  70  26.425  -1.468  -1.468
  505    H    GLN  71           HN       GLN  71  28.520   3.145   3.145
  506    HA   GLN  71           HA       GLN  71  31.253   3.295   3.295
  507   1HB   GLN  71           HB2      GLN  71  29.112   5.144   5.144
  508   2HB   GLN  71           HB1      GLN  71  30.782   5.689   5.689
  509   1HG   GLN  71           HG2      GLN  71  30.424   4.495   4.495
  510   2HG   GLN  71           HG1      GLN  71  28.996   5.495   5.495
  511   1HE2  GLN  71          HE22      GLN  71  31.424   8.339   8.339
  512   2HE2  GLN  71          HE21      GLN  71  30.399   7.441   7.441
  513    H    ASP  72           HN       ASP  72  29.532   4.321   4.321
  514    HA   ASP  72           HA       ASP  72  31.647   4.576   4.576
  515   1HB   ASP  72           HB2      ASP  72  28.742   3.908   3.908
  516   2HB   ASP  72           HB1      ASP  72  29.806   3.916   3.916
  517    H    VAL  73           HN       VAL  73  29.622   1.690   1.690
  518    HA   VAL  73           HA       VAL  73  30.816  -0.009  -0.009
  519    HB   VAL  73           HB       VAL  73  28.769  -0.387  -0.387
  520   1HG1  VAL  73          HG13      VAL  73  30.452  -0.264  -0.264
  521   2HG1  VAL  73          HG12      VAL  73  30.755  -1.954  -1.954
  522   3HG1  VAL  73          HG11      VAL  73  29.129  -1.428  -1.428
  523   1HG2  VAL  73          HG23      VAL  73  29.751  -1.946  -1.946
  524   2HG2  VAL  73          HG22      VAL  73  28.865  -2.726  -2.726
  525   3HG2  VAL  73          HG21      VAL  73  30.629  -2.720  -2.720
  526    H    ALA  74           HN       ALA  74  32.018   1.046   1.046
  527    HA   ALA  74           HA       ALA  74  34.159  -0.978  -0.978
  528   1HB   ALA  74           HB3      ALA  74  33.617   1.521   1.521
  529   2HB   ALA  74           HB2      ALA  74  35.032   0.496   0.496
  530   3HB   ALA  74           HB1      ALA  74  33.416  -0.157  -0.157
  531    H    ALA  75           HN       ALA  75  34.260   2.615   2.615
  532    HA   ALA  75           HA       ALA  75  36.864   2.843   2.843
  533   1HB   ALA  75           HB1      ALA  75  34.340   4.489   4.489
  534   2HB   ALA  75           HB3      ALA  75  35.799   4.946   4.946
  535   3HB   ALA  75           HB2      ALA  75  35.827   4.880   4.880
  536    H    TYR  76           HN       TYR  76  33.930   1.755   1.755
  537    HA   TYR  76           HA       TYR  76  34.360   2.030   2.030
  538   1HB   TYR  76           HB2      TYR  76  32.159   1.537   1.537
  539   2HB   TYR  76           HB1      TYR  76  32.731   0.147   0.147
  540    HD1  TYR  76           HD1      TYR  76  32.028   1.428   1.428
  541    HD2  TYR  76           HD2      TYR  76  33.064  -1.986  -1.986
  542    HE1  TYR  76           HE1      TYR  76  31.529   0.059   0.059
  543    HE2  TYR  76           HE2      TYR  76  32.558  -3.418  -3.418
  544    HH   TYR  76           HH       TYR  76  32.423  -3.199  -3.199
  545    H    VAL  77           HN       VAL  77  34.962  -0.692  -0.692
  546    HA   VAL  77           HA       VAL  77  36.073  -2.383  -2.383
  547    HB   VAL  77           HB       VAL  77  35.419  -3.450  -3.450
  548   1HG1  VAL  77          HG11      VAL  77  36.940  -1.253  -1.253
  549   2HG1  VAL  77          HG13      VAL  77  36.501  -2.714  -2.714
  550   3HG1  VAL  77          HG12      VAL  77  35.239  -1.693  -1.693
  551   1HG2  VAL  77          HG22      VAL  77  37.971  -3.819  -3.819
  552   2HG2  VAL  77          HG21      VAL  77  37.281  -4.737  -4.737
  553   3HG2  VAL  77          HG23      VAL  77  38.283  -3.324  -3.324
  554    H    LEU  78           HN       LEU  78  37.319   0.262   0.262
  555    HA   LEU  78           HA       LEU  78  40.131  -0.369  -0.369
  556   1HB   LEU  78           HB2      LEU  78  39.220   2.419   2.419
  557   2HB   LEU  78           HB1      LEU  78  40.637   1.551   1.551
  558    HG   LEU  78           HG       LEU  78  37.760   1.225   1.225
  559   1HD1  LEU  78          HD11      LEU  78  39.296   2.998   2.998
  560   2HD1  LEU  78          HD13      LEU  78  40.284   1.673   1.673
  561   3HD1  LEU  78          HD12      LEU  78  38.616   1.851   1.851
  562   1HD2  LEU  78          HD22      LEU  78  39.164  -0.976  -0.976
  563   2HD2  LEU  78          HD21      LEU  78  38.276  -0.764  -0.764
  564   3HD2  LEU  78          HD23      LEU  78  40.011  -0.460  -0.460
  565    H    ASP  79           HN       ASP  79  37.600   0.839   0.839
  566    HA   ASP  79           HA       ASP  79  39.300   2.437   2.437
  567   1HB   ASP  79           HB2      ASP  79  36.781   2.825   2.825
  568   2HB   ASP  79           HB1      ASP  79  36.442   1.978   1.978
  569    H    GLN  80           HN       GLN  80  37.122  -0.326  -0.326
  570    HA   GLN  80           HA       GLN  80  37.370  -1.041  -1.041
  571   1HB   GLN  80           HB2      GLN  80  36.796  -2.875  -2.875
  572   2HB   GLN  80           HB1      GLN  80  36.315  -3.101  -3.101
  573   1HG   GLN  80           HG2      GLN  80  35.461  -0.563  -0.563
  574   2HG   GLN  80           HG1      GLN  80  34.678  -2.041  -2.041
  575   1HE2  GLN  80          HE22      GLN  80  33.333  -0.492  -0.492
  576   2HE2  GLN  80          HE21      GLN  80  34.122   0.366   0.366
  577    H    ALA  81           HN       ALA  81  39.054  -2.214  -2.214
  578    HA   ALA  81           HA       ALA  81  40.647  -4.143  -4.143
  579   1HB   ALA  81           HB2      ALA  81  40.179  -3.750  -3.750
  580   2HB   ALA  81           HB1      ALA  81  41.729  -2.919  -2.919
  581   3HB   ALA  81           HB3      ALA  81  41.599  -4.618  -4.618
  582    H    ALA  82           HN       ALA  82  40.737  -0.765  -0.765
  583    HA   ALA  82           HA       ALA  82  43.608  -0.565  -0.565
  584   1HB   ALA  82           HB2      ALA  82  41.600   1.165   1.165
  585   2HB   ALA  82           HB1      ALA  82  42.186   1.873   1.873
  586   3HB   ALA  82           HB3      ALA  82  43.315   1.526   1.526
  587    H    LYS  83           HN       LYS  83  41.258  -1.601  -1.601
  588    HA   LYS  83           HA       LYS  83  42.823  -0.967  -0.967
  589   1HB   LYS  83           HB2      LYS  83  41.299   0.587   0.587
  590   2HB   LYS  83           HB1      LYS  83  41.889   1.274   1.274
  591   1HG   LYS  83           HG2      LYS  83  39.690   0.021   0.021
  592   2HG   LYS  83           HG1      LYS  83  39.157   0.338   0.338
  593   1HD   LYS  83           HD2      LYS  83  40.277   2.427   2.427
  594   2HD   LYS  83           HD1      LYS  83  38.564   2.197   2.197
  595   1HE   LYS  83           HE2      LYS  83  38.962   2.687   2.687
  596   2HE   LYS  83           HE1      LYS  83  40.690   2.853   2.853
  597   1HZ   LYS  83           HZ3      LYS  83  40.153   4.664   4.664
  598   2HZ   LYS  83           HZ2      LYS  83  38.519   4.548   4.548
  599   3HZ   LYS  83           HZ1      LYS  83  39.689   5.011   5.011
  600    H    GLY  84           HN       GLY  84  41.688  -3.418  -3.418
  601   1HA   GLY  84           HA2      GLY  84  40.755  -5.166  -5.166
  602   2HA   GLY  84           HA1      GLY  84  40.071  -3.946  -3.946
  603    H    TRP  85           HN       TRP  85  39.750  -5.332  -5.332
  604    HA   TRP  85           HA       TRP  85  37.435  -4.293  -4.293
  605   1HB   TRP  85           HB2      TRP  85  38.805  -6.815  -6.815
  606   2HB   TRP  85           HB1      TRP  85  37.068  -7.091  -7.091
  607    HD1  TRP  85           HD1      TRP  85  39.807  -6.283  -6.283
  608    HE1  TRP  85           HE1      TRP  85  38.905  -5.292  -5.292
  609    HE3  TRP  85           HE3      TRP  85  35.037  -5.265  -5.265
  610    HZ2  TRP  85           HZ2      TRP  85  36.470  -4.207  -4.207
  611    HZ3  TRP  85           HZ3      TRP  85  33.450  -4.250  -4.250
  612    HH2  TRP  85           HH2      TRP  85  34.148  -3.697  -3.697
  613    H    ALA  86           HN       ALA  86  36.134  -3.595  -3.595
  614    HA   ALA  86           HA       ALA  86  34.440  -3.847  -3.847
  615   1HB   ALA  86           HB1      ALA  86  33.287  -4.417  -4.417
  616   2HB   ALA  86           HB3      ALA  86  33.632  -6.117  -6.117
  617   3HB   ALA  86           HB2      ALA  86  32.579  -5.213  -5.213
  618    H    GLY  87           HN       GLY  87  36.941  -5.515  -5.515
  619   1HA   GLY  87           HA2      GLY  87  36.415  -8.100  -8.100
  620   2HA   GLY  87           HA1      GLY  87  37.730  -7.088  -7.088
  621    HHA  HEC  88           HA       HEM  88  36.081 -10.867 -10.867
  622    HHB  HEC  88           HB       HEM  88  33.777  -5.925  -5.925
  623    HHC  HEC  88           HC       HEM  88  28.087  -8.719  -8.719
  624    HHD  HEC  88           HD       HEM  88  30.558 -13.858 -13.858
  625   1HMA  HEC  88          HMA1      HEM  88  36.784  -5.677  -5.677
  626   2HMA  HEC  88          HMA2      HEM  88  37.308  -6.771  -6.771
  627   3HMA  HEC  88          HMA3      HEM  88  35.802  -5.794  -5.794
  628   1HAA  HEC  88          HAA1      HEM  88  37.726  -9.747  -9.747
  629   2HAA  HEC  88          HAA2      HEM  88  38.196  -8.199  -8.199
  630   1HBA  HEC  88          HBA1      HEM  88  37.135  -8.607  -8.607
  631   2HBA  HEC  88          HBA2      HEM  88  37.232  -6.982  -6.982
  632   1HMB  HEC  88          HMB1      HEM  88  32.534  -4.606  -4.606
  633   2HMB  HEC  88          HMB2      HEM  88  31.604  -5.090  -5.090
  634   3HMB  HEC  88          HMB3      HEM  88  30.793  -4.146  -4.146
  635    HAB  HEC  88           HAB      HEM  88  28.644  -5.203  -5.203
  636   1HBB  HEC  88          HBB1      HEM  88  27.360  -7.190  -7.190
  637   2HBB  HEC  88          HBB2      HEM  88  26.470  -6.060  -6.060
  638   3HBB  HEC  88          HBB3      HEM  88  27.203  -7.555  -7.555
  639   1HMC  HEC  88          HMC1      HEM  88  26.521  -9.868  -9.868
  640   2HMC  HEC  88          HMC2      HEM  88  26.063 -11.551 -11.551
  641   3HMC  HEC  88          HMC3      HEM  88  26.705 -11.233 -11.233
  642    HAC  HEC  88           HAC      HEM  88  29.031 -14.360 -14.360
  643   1HBC  HEC  88          HBC1      HEM  88  26.629 -15.048 -15.048
  644   2HBC  HEC  88          HBC2      HEM  88  27.167 -13.969 -13.969
  645   3HBC  HEC  88          HBC3      HEM  88  26.150 -13.308 -13.308
  646   1HMD  HEC  88          HMD1      HEM  88  32.749 -14.904 -14.904
  647   2HMD  HEC  88          HMD2      HEM  88  33.533 -15.583 -15.583
  648   3HMD  HEC  88          HMD3      HEM  88  31.774 -15.166 -15.166
  649   1HAD  HEC  88          HAD1      HEM  88  35.483 -14.434 -14.434
  650   2HAD  HEC  88          HAD2      HEM  88  36.392 -12.972 -12.972
  651   1HBD  HEC  88          HBD1      HEM  88  35.586 -13.666 -13.666
  652   2HBD  HEC  88          HBD2      HEM  88  34.596 -12.235 -12.235

  Start of MODEL   15
    1   1H    ALA   1           HT2      ALA   1  28.355  12.998  12.998
    2   2H    ALA   1           HT1      ALA   1  26.890  12.707  12.707
    3   3H    ALA   1           HT3      ALA   1  27.323  11.757  11.757
    4    HA   ALA   1           HA       ALA   1  27.692  10.522  10.522
    5   1HB   ALA   1           HB3      ALA   1  28.255  12.926  12.926
    6   2HB   ALA   1           HB2      ALA   1  29.893  12.339  12.339
    7   3HB   ALA   1           HB1      ALA   1  28.781  11.398  11.398
    8    H    ASP   2           HN       ASP   2  28.437   9.371   9.371
    9    HA   ASP   2           HA       ASP   2  31.413   9.519   9.519
   10   1HB   ASP   2           HB2      ASP   2  29.857  10.258  10.258
   11   2HB   ASP   2           HB1      ASP   2  29.574   8.521   8.521
   12    H    LEU   3           HN       LEU   3  32.489   7.484   7.484
   13    HA   LEU   3           HA       LEU   3  31.065   5.276   5.276
   14   1HB   LEU   3           HB2      LEU   3  33.103   4.062   4.062
   15   2HB   LEU   3           HB1      LEU   3  33.597   5.746   5.746
   16    HG   LEU   3           HG       LEU   3  33.620   5.760   5.760
   17   1HD1  LEU   3          HD12      LEU   3  33.073   3.033   3.033
   18   2HD1  LEU   3          HD11      LEU   3  34.647   3.114   3.114
   19   3HD1  LEU   3          HD13      LEU   3  33.208   3.746   3.746
   20   1HD2  LEU   3          HD23      LEU   3  35.740   4.403   4.403
   21   2HD2  LEU   3          HD22      LEU   3  35.596   6.137   6.137
   22   3HD2  LEU   3          HD21      LEU   3  36.005   5.056   5.056
   23    H    ALA   4           HN       ALA   4  30.855   6.470   6.470
   24    HA   ALA   4           HA       ALA   4  30.946   4.137   4.137
   25   1HB   ALA   4           HB2      ALA   4  29.525   6.799   6.799
   26   2HB   ALA   4           HB1      ALA   4  29.198   5.539   5.539
   27   3HB   ALA   4           HB3      ALA   4  30.829   6.193   6.193
   28    H    ASN   5           HN       ASN   5  28.479   5.774   5.774
   29    HA   ASN   5           HA       ASN   5  26.210   4.225   4.225
   30   1HB   ASN   5           HB2      ASN   5  27.070   6.105   6.105
   31   2HB   ASN   5           HB1      ASN   5  26.610   4.695   4.695
   32   1HD2  ASN   5          HD22      ASN   5  23.503   6.698   6.698
   33   2HD2  ASN   5          HD21      ASN   5  24.988   6.949   6.949
   34    H    GLY   6           HN       GLY   6  29.147   3.492   3.492
   35   1HA   GLY   6           HA2      GLY   6  28.395   1.186   1.186
   36   2HA   GLY   6           HA1      GLY   6  30.012   1.475   1.475
   37    H    ALA   7           HN       ALA   7  29.843   1.304   1.304
   38    HA   ALA   7           HA       ALA   7  29.653  -1.374  -1.374
   39   1HB   ALA   7           HB3      ALA   7  30.025   1.039   1.039
   40   2HB   ALA   7           HB2      ALA   7  28.712   0.194   0.194
   41   3HB   ALA   7           HB1      ALA   7  30.271  -0.604  -0.604
   42    H    LYS   8           HN       LYS   8  27.023   0.914   0.914
   43    HA   LYS   8           HA       LYS   8  25.058  -0.680  -0.680
   44   1HB   LYS   8           HB2      LYS   8  24.256   1.474   1.474
   45   2HB   LYS   8           HB1      LYS   8  24.990   1.640   1.640
   46   1HG   LYS   8           HG2      LYS   8  22.856  -0.411  -0.411
   47   2HG   LYS   8           HG1      LYS   8  22.318   1.253   1.253
   48   1HD   LYS   8           HD2      LYS   8  23.794   0.081   0.081
   49   2HD   LYS   8           HD1      LYS   8  22.168   0.759   0.759
   50   1HE   LYS   8           HE2      LYS   8  23.843   2.771   2.771
   51   2HE   LYS   8           HE1      LYS   8  24.692   2.106   2.106
   52   1HZ   LYS   8           HZ2      LYS   8  22.475   2.298   2.298
   53   2HZ   LYS   8           HZ1      LYS   8  21.984   3.289   3.289
   54   3HZ   LYS   8           HZ3      LYS   8  23.297   3.752   3.752
   55    H    VAL   9           HN       VAL   9  26.007  -0.331  -0.331
   56    HA   VAL   9           HA       VAL   9  24.212  -2.377  -2.377
   57    HB   VAL   9           HB       VAL   9  26.572  -0.890  -0.890
   58   1HG1  VAL   9          HG12      VAL   9  26.414  -3.294  -3.294
   59   2HG1  VAL   9          HG11      VAL   9  24.853  -2.827  -2.827
   60   3HG1  VAL   9          HG13      VAL   9  26.322  -2.007  -2.007
   61   1HG2  VAL   9          HG21      VAL   9  23.610  -0.765  -0.765
   62   2HG2  VAL   9          HG23      VAL   9  24.794   0.539   0.539
   63   3HG2  VAL   9          HG22      VAL   9  24.440  -0.434  -0.434
   64    H    PHE  10           HN       PHE  10  27.782  -2.331  -2.331
   65    HA   PHE  10           HA       PHE  10  28.125  -5.068  -5.068
   66   1HB   PHE  10           HB2      PHE  10  30.006  -3.476  -3.476
   67   2HB   PHE  10           HB1      PHE  10  29.778  -3.305  -3.305
   68    HD1  PHE  10           HD1      PHE  10  29.759  -5.516  -5.516
   69    HD2  PHE  10           HD2      PHE  10  31.528  -5.127  -5.127
   70    HE1  PHE  10           HE1      PHE  10  31.104  -7.510  -7.510
   71    HE2  PHE  10           HE2      PHE  10  32.894  -7.143  -7.143
   72    HZ   PHE  10           HZ       PHE  10  32.690  -8.346  -8.346
   73    H    SER  11           HN       SER  11  27.106  -3.512  -3.512
   74    HA   SER  11           HA       SER  11  27.403  -5.948  -5.948
   75   1HB   SER  11           HB2      SER  11  27.681  -3.730  -3.730
   76   2HB   SER  11           HB1      SER  11  26.014  -3.326  -3.326
   77    HG   SER  11           HG       SER  11  26.675  -4.347  -4.347
   78    H    GLY  12           HN       GLY  12  25.470  -5.532  -5.532
   79   1HA   GLY  12           HA2      GLY  12  23.372  -7.188  -7.188
   80   2HA   GLY  12           HA1      GLY  12  22.812  -5.585  -5.585
   81    H    ASN  13           HN       ASN  13  25.388  -6.709  -6.709
   82    HA   ASN  13           HA       ASN  13  23.687  -8.147  -8.147
   83   1HB   ASN  13           HB2      ASN  13  25.020  -5.631  -5.631
   84   2HB   ASN  13           HB1      ASN  13  23.751  -6.582  -6.582
   85   1HD2  ASN  13          HD22      ASN  13  22.738  -3.545  -3.545
   86   2HD2  ASN  13          HD21      ASN  13  24.315  -3.810  -3.810
   87    H    CYS  14           HN       CYS  14  26.723  -6.304  -6.304
   88    HA   CYS  14           HA       CYS  14  28.184  -8.141  -8.141
   89   1HB   CYS  14           HB2      CYS  14  29.410  -6.253  -6.253
   90   2HB   CYS  14           HB1      CYS  14  30.047  -6.745  -6.745
   91    H    ALA  15           HN       ALA  15  27.497  -7.896  -7.896
   92    HA   ALA  15           HA       ALA  15  29.591  -9.427  -9.427
   93   1HB   ALA  15           HB3      ALA  15  27.014  -8.461  -8.461
   94   2HB   ALA  15           HB2      ALA  15  27.217 -10.127 -10.127
   95   3HB   ALA  15           HB1      ALA  15  28.399  -8.900  -8.900
   96    H    ALA  16           HN       ALA  16  26.561 -10.496 -10.496
   97    HA   ALA  16           HA       ALA  16  26.749 -13.248 -13.248
   98   1HB   ALA  16           HB1      ALA  16  24.992 -11.667 -11.667
   99   2HB   ALA  16           HB3      ALA  16  25.650 -12.749 -12.749
  100   3HB   ALA  16           HB2      ALA  16  24.866 -13.415 -13.415
  101    H    CYS  17           HN       CYS  17  28.589 -11.406 -11.406
  102    HA   CYS  17           HA       CYS  17  29.742 -13.967 -13.967
  103   1HB   CYS  17           HB2      CYS  17  29.333 -11.409 -11.409
  104   2HB   CYS  17           HB1      CYS  17  30.234 -12.778 -12.778
  105    H    HIS  18           HN       HIS  18  30.436 -11.591 -11.591
  106    HA   HIS  18           HA       HIS  18  33.327 -11.857 -11.857
  107   1HB   HIS  18           HB2      HIS  18  31.932  -9.155  -9.155
  108   2HB   HIS  18           HB1      HIS  18  33.668  -9.402  -9.402
  109    HD1  HIS  18           HD1      HIS  18  34.899  -9.995  -9.995
  110    HD2  HIS  18           HD2      HIS  18  30.794  -9.731  -9.731
  111    HE1  HIS  18           HE1      HIS  18  34.540 -10.099 -10.099
  112    H    MET  19           HN       MET  19  31.203  -9.812  -9.812
  113    HA   MET  19           HA       MET  19  31.108  -9.514  -9.514
  114   1HB   MET  19           HB2      MET  19  30.951 -12.229 -12.229
  115   2HB   MET  19           HB1      MET  19  32.181 -12.091 -12.091
  116   1HG   MET  19           HG2      MET  19  30.708 -11.039 -11.039
  117   2HG   MET  19           HG1      MET  19  29.569 -10.608 -10.608
  118   1HE   MET  19           HE3      MET  19  27.698 -11.190 -11.190
  119   2HE   MET  19           HE2      MET  19  26.978 -12.796 -12.796
  120   3HE   MET  19           HE1      MET  19  27.421 -12.102 -12.102
  121    H    GLY  20           HN       GLY  20  32.599  -8.163  -8.163
  122   1HA   GLY  20           HA2      GLY  20  34.728  -7.307  -7.307
  123   2HA   GLY  20           HA1      GLY  20  34.821  -8.832  -8.832
  124    H    GLY  21           HN       GLY  21  35.103  -7.781  -7.781
  125   1HA   GLY  21           HA2      GLY  21  36.583  -8.516  -8.516
  126   2HA   GLY  21           HA1      GLY  21  37.789  -8.390  -8.390
  127    H    GLY  22           HN       GLY  22  35.259 -10.591 -10.591
  128   1HA   GLY  22           HA2      GLY  22  37.098 -12.849 -12.849
  129   2HA   GLY  22           HA1      GLY  22  35.658 -12.897 -12.897
  130    H    ASN  23           HN       ASN  23  36.746 -12.811 -12.811
  131    HA   ASN  23           HA       ASN  23  34.243 -13.058 -13.058
  132   1HB   ASN  23           HB2      ASN  23  36.819 -13.033 -13.033
  133   2HB   ASN  23           HB1      ASN  23  36.434 -14.744 -14.744
  134   1HD2  ASN  23          HD22      ASN  23  35.099 -12.186 -12.186
  135   2HD2  ASN  23          HD21      ASN  23  36.391 -11.877 -11.877
  136    H    VAL  24           HN       VAL  24  33.291 -15.100 -15.100
  137    HA   VAL  24           HA       VAL  24  33.894 -17.547 -17.547
  138    HB   VAL  24           HB       VAL  24  31.603 -17.871 -17.871
  139   1HG1  VAL  24          HG11      VAL  24  33.060 -16.285 -16.285
  140   2HG1  VAL  24          HG13      VAL  24  32.246 -14.956 -14.956
  141   3HG1  VAL  24          HG12      VAL  24  31.325 -16.049 -16.049
  142   1HG2  VAL  24          HG21      VAL  24  31.127 -15.528 -15.528
  143   2HG2  VAL  24          HG23      VAL  24  30.300 -17.085 -17.085
  144   3HG2  VAL  24          HG22      VAL  24  29.989 -15.887 -15.887
  145    H    VAL  25           HN       VAL  25  33.879 -16.420 -16.420
  146    HA   VAL  25           HA       VAL  25  32.488 -18.802 -18.802
  147    HB   VAL  25           HB       VAL  25  32.595 -15.962 -15.962
  148   1HG1  VAL  25          HG11      VAL  25  32.441 -18.529 -18.529
  149   2HG1  VAL  25          HG13      VAL  25  31.131 -17.414 -17.414
  150   3HG1  VAL  25          HG12      VAL  25  32.809 -16.917 -16.917
  151   1HG2  VAL  25          HG23      VAL  25  30.405 -17.897 -17.897
  152   2HG2  VAL  25          HG22      VAL  25  30.729 -16.299 -16.299
  153   3HG2  VAL  25          HG21      VAL  25  30.085 -16.454 -16.454
  154    H    MET  26           HN       MET  26  34.904 -16.278 -16.278
  155    HA   MET  26           HA       MET  26  36.303 -18.057 -18.057
  156   1HB   MET  26           HB2      MET  26  36.758 -15.301 -15.301
  157   2HB   MET  26           HB1      MET  26  38.100 -16.144 -16.144
  158   1HG   MET  26           HG2      MET  26  35.367 -15.765 -15.765
  159   2HG   MET  26           HG1      MET  26  36.758 -14.730 -14.730
  160   1HE   MET  26           HE3      MET  26  36.185 -15.160 -15.160
  161   2HE   MET  26           HE2      MET  26  37.947 -15.177 -15.177
  162   3HE   MET  26           HE1      MET  26  37.064 -16.368 -16.368
  163    H    ALA  27           HN       ALA  27  38.939 -17.896 -17.896
  164    HA   ALA  27           HA       ALA  27  39.274 -18.894 -18.894
  165   1HB   ALA  27           HB3      ALA  27  39.312 -20.517 -20.517
  166   2HB   ALA  27           HB2      ALA  27  41.003 -20.296 -20.296
  167   3HB   ALA  27           HB1      ALA  27  39.863 -20.961 -20.961
  168    H    ASN  28           HN       ASN  28  39.932 -16.323 -16.323
  169    HA   ASN  28           HA       ASN  28  42.642 -16.100 -16.100
  170   1HB   ASN  28           HB2      ASN  28  43.724 -15.481 -15.481
  171   2HB   ASN  28           HB1      ASN  28  43.003 -17.082 -17.082
  172   1HD2  ASN  28          HD22      ASN  28  40.371 -15.870 -15.870
  173   2HD2  ASN  28          HD21      ASN  28  40.679 -17.038 -17.038
  174    H    LYS  29           HN       LYS  29  40.150 -14.621 -14.621
  175    HA   LYS  29           HA       LYS  29  40.954 -11.911 -11.911
  176   1HB   LYS  29           HB2      LYS  29  39.033 -13.198 -13.198
  177   2HB   LYS  29           HB1      LYS  29  38.251 -11.904 -11.904
  178   1HG   LYS  29           HG2      LYS  29  39.493 -10.265 -10.265
  179   2HG   LYS  29           HG1      LYS  29  40.934 -11.277 -11.277
  180   1HD   LYS  29           HD2      LYS  29  39.943 -12.530 -12.530
  181   2HD   LYS  29           HD1      LYS  29  38.471 -11.565 -11.565
  182   1HE   LYS  29           HE2      LYS  29  39.551 -10.351 -10.351
  183   2HE   LYS  29           HE1      LYS  29  40.242  -9.563  -9.563
  184   1HZ   LYS  29           HZ2      LYS  29  41.952 -11.516 -11.516
  185   2HZ   LYS  29           HZ1      LYS  29  41.459 -11.493 -11.493
  186   3HZ   LYS  29           HZ3      LYS  29  42.126 -10.100 -10.100
  187    H    THR  30           HN       THR  30  40.748 -11.204 -11.204
  188    HA   THR  30           HA       THR  30  38.129 -11.655 -11.655
  189    HB   THR  30           HB       THR  30  40.870 -11.853 -11.853
  190    HG1  THR  30           HG1      THR  30  40.370 -13.695 -13.695
  191   1HG2  THR  30          HG21      THR  30  38.434 -11.107 -11.107
  192   2HG2  THR  30          HG23      THR  30  38.584 -12.822 -12.822
  193   3HG2  THR  30          HG22      THR  30  39.852 -11.697 -11.697
  194    H    LEU  31           HN       LEU  31  37.475  -9.985  -9.985
  195    HA   LEU  31           HA       LEU  31  38.383  -7.368  -7.368
  196   1HB   LEU  31           HB2      LEU  31  36.274  -8.483  -8.483
  197   2HB   LEU  31           HB1      LEU  31  36.760  -6.811  -6.811
  198    HG   LEU  31           HG       LEU  31  36.233  -6.234  -6.234
  199   1HD1  LEU  31          HD13      LEU  31  36.393  -9.163  -9.163
  200   2HD1  LEU  31          HD12      LEU  31  35.295  -8.243  -8.243
  201   3HD1  LEU  31          HD11      LEU  31  37.010  -7.845  -7.845
  202   1HD2  LEU  31          HD22      LEU  31  34.167  -8.090  -8.090
  203   2HD2  LEU  31          HD21      LEU  31  34.225  -6.336  -6.336
  204   3HD2  LEU  31          HD23      LEU  31  33.880  -7.084  -7.084
  205    H    LYS  32           HN       LYS  32  39.269  -9.494  -9.494
  206    HA   LYS  32           HA       LYS  32  39.879  -7.885  -7.885
  207   1HB   LYS  32           HB2      LYS  32  40.891 -10.356 -10.356
  208   2HB   LYS  32           HB1      LYS  32  42.271  -9.380  -9.380
  209   1HG   LYS  32           HG2      LYS  32  41.764  -9.625  -9.625
  210   2HG   LYS  32           HG1      LYS  32  40.072  -9.206  -9.206
  211   1HD   LYS  32           HD2      LYS  32  39.897 -11.431 -11.431
  212   2HD   LYS  32           HD1      LYS  32  39.950 -11.605 -11.605
  213   1HE   LYS  32           HE2      LYS  32  42.640 -11.503 -11.503
  214   2HE   LYS  32           HE1      LYS  32  41.740 -12.713 -12.713
  215   1HZ   LYS  32           HZ1      LYS  32  41.426 -12.646 -12.646
  216   2HZ   LYS  32           HZ3      LYS  32  42.856 -13.299 -13.299
  217   3HZ   LYS  32           HZ2      LYS  32  41.355 -13.967 -13.967
  218    H    LYS  33           HN       LYS  33  42.673  -8.538  -8.538
  219    HA   LYS  33           HA       LYS  33  43.159  -5.913  -5.913
  220   1HB   LYS  33           HB2      LYS  33  44.831  -5.124  -5.124
  221   2HB   LYS  33           HB1      LYS  33  43.241  -5.287  -5.287
  222   1HG   LYS  33           HG2      LYS  33  43.901  -7.540  -7.540
  223   2HG   LYS  33           HG1      LYS  33  45.511  -7.294  -7.294
  224   1HD   LYS  33           HD2      LYS  33  44.633  -5.055  -5.055
  225   2HD   LYS  33           HD1      LYS  33  44.734  -6.578  -6.578
  226   1HE   LYS  33           HE2      LYS  33  47.006  -6.709  -6.709
  227   2HE   LYS  33           HE1      LYS  33  46.986  -6.018  -6.018
  228   1HZ   LYS  33           HZ3      LYS  33  46.143  -3.991  -3.991
  229   2HZ   LYS  33           HZ2      LYS  33  47.392  -4.729  -4.729
  230   3HZ   LYS  33           HZ1      LYS  33  47.684  -4.150  -4.150
  231    H    GLU  34           HN       GLU  34  44.716  -8.712  -8.712
  232    HA   GLU  34           HA       GLU  34  47.211  -8.579  -8.579
  233   1HB   GLU  34           HB2      GLU  34  45.657 -11.096 -11.096
  234   2HB   GLU  34           HB1      GLU  34  47.404 -10.972 -10.972
  235   1HG   GLU  34           HG2      GLU  34  46.454  -9.028  -9.028
  236   2HG   GLU  34           HG1      GLU  34  45.981 -10.666 -10.666
  237    H    ALA  35           HN       ALA  35  44.129  -9.811  -9.811
  238    HA   ALA  35           HA       ALA  35  45.391 -10.616 -10.616
  239   1HB   ALA  35           HB1      ALA  35  42.943 -11.356 -11.356
  240   2HB   ALA  35           HB3      ALA  35  42.743 -11.221 -11.221
  241   3HB   ALA  35           HB2      ALA  35  43.944 -12.328 -12.328
  242    H    LEU  36           HN       LEU  36  42.907  -8.397  -8.397
  243    HA   LEU  36           HA       LEU  36  42.187  -7.425  -7.425
  244   1HB   LEU  36           HB2      LEU  36  40.710  -6.065  -6.065
  245   2HB   LEU  36           HB1      LEU  36  41.001  -7.226  -7.226
  246    HG   LEU  36           HG       LEU  36  43.007  -5.577  -5.577
  247   1HD1  LEU  36          HD11      LEU  36  41.303  -4.164  -4.164
  248   2HD1  LEU  36          HD13      LEU  36  41.542  -3.263  -3.263
  249   3HD1  LEU  36          HD12      LEU  36  42.932  -3.778  -3.778
  250   1HD2  LEU  36          HD22      LEU  36  40.079  -5.300  -5.300
  251   2HD2  LEU  36          HD21      LEU  36  41.331  -6.087  -6.087
  252   3HD2  LEU  36          HD23      LEU  36  41.308  -4.329  -4.329
  253    H    GLU  37           HN       GLU  37  44.941  -7.061  -7.061
  254    HA   GLU  37           HA       GLU  37  45.715  -4.618  -4.618
  255   1HB   GLU  37           HB2      GLU  37  46.791  -5.588  -5.588
  256   2HB   GLU  37           HB1      GLU  37  47.221  -4.082  -4.082
  257   1HG   GLU  37           HG2      GLU  37  44.595  -3.698  -3.698
  258   2HG   GLU  37           HG1      GLU  37  44.686  -4.821  -4.821
  259    H    GLN  38           HN       GLN  38  46.014  -7.837  -7.837
  260    HA   GLN  38           HA       GLN  38  48.886  -8.100  -8.100
  261   1HB   GLN  38           HB2      GLN  38  47.912 -10.047 -10.047
  262   2HB   GLN  38           HB1      GLN  38  46.492  -9.910  -9.910
  263   1HG   GLN  38           HG2      GLN  38  48.089 -11.742 -11.742
  264   2HG   GLN  38           HG1      GLN  38  47.756 -10.564 -10.564
  265   1HE2  GLN  38          HE22      GLN  38  51.239  -9.567  -9.567
  266   2HE2  GLN  38          HE21      GLN  38  49.772  -9.606  -9.606
  267    H    PHE  39           HN       PHE  39  45.997  -8.389  -8.389
  268    HA   PHE  39           HA       PHE  39  47.655  -8.312  -8.312
  269   1HB   PHE  39           HB2      PHE  39  45.188  -8.224  -8.224
  270   2HB   PHE  39           HB1      PHE  39  45.933  -9.721  -9.721
  271    HD1  PHE  39           HD1      PHE  39  43.945  -6.881  -6.881
  272    HD2  PHE  39           HD2      PHE  39  44.716 -11.110 -11.110
  273    HE1  PHE  39           HE1      PHE  39  42.114  -7.270  -7.270
  274    HE2  PHE  39           HE2      PHE  39  42.876 -11.491 -11.491
  275    HZ   PHE  39           HZ       PHE  39  41.574  -9.570  -9.570
  276    H    GLY  40           HN       GLY  40  45.443  -6.228  -6.228
  277   1HA   GLY  40           HA2      GLY  40  46.096  -3.789  -3.789
  278   2HA   GLY  40           HA1      GLY  40  46.202  -4.050  -4.050
  279    H    MET  41           HN       MET  41  43.713  -4.892  -4.892
  280    HA   MET  41           HA       MET  41  41.736  -3.532  -3.532
  281   1HB   MET  41           HB2      MET  41  40.245  -5.207  -5.207
  282   2HB   MET  41           HB1      MET  41  41.675  -6.142  -6.142
  283   1HG   MET  41           HG2      MET  41  40.505  -6.562  -6.562
  284   2HG   MET  41           HG1      MET  41  41.149  -5.013  -5.013
  285   1HE   MET  41           HE2      MET  41  39.781  -3.407  -3.407
  286   2HE   MET  41           HE1      MET  41  38.036  -3.555  -3.555
  287   3HE   MET  41           HE3      MET  41  39.100  -4.862  -4.862
  288    H    TYR  42           HN       TYR  42  43.510  -2.871  -2.871
  289    HA   TYR  42           HA       TYR  42  41.638  -2.058  -2.058
  290   1HB   TYR  42           HB2      TYR  42  44.122  -2.499  -2.499
  291   2HB   TYR  42           HB1      TYR  42  44.400  -0.945  -0.945
  292    HD1  TYR  42           HD1      TYR  42  43.762   1.165   1.165
  293    HD2  TYR  42           HD2      TYR  42  43.216  -2.619  -2.619
  294    HE1  TYR  42           HE1      TYR  42  43.435   2.330   2.330
  295    HE2  TYR  42           HE2      TYR  42  42.884  -1.456  -1.456
  296    HH   TYR  42           HH       TYR  42  43.535   1.925   1.925
  297    H    SER  43           HN       SER  43  41.604  -0.921  -0.921
  298    HA   SER  43           HA       SER  43  41.408   1.943   1.943
  299   1HB   SER  43           HB2      SER  43  41.948   2.480   2.480
  300   2HB   SER  43           HB1      SER  43  42.767   0.918   0.918
  301    HG   SER  43           HG       SER  43  41.498   0.965   0.965
  302    H    GLU  44           HN       GLU  44  39.467   3.068   3.068
  303    HA   GLU  44           HA       GLU  44  37.000   1.835   1.835
  304   1HB   GLU  44           HB2      GLU  44  37.396   4.325   4.325
  305   2HB   GLU  44           HB1      GLU  44  35.989   3.891   3.891
  306   1HG   GLU  44           HG2      GLU  44  37.887   3.811   3.811
  307   2HG   GLU  44           HG1      GLU  44  38.611   5.015   5.015
  308    H    ASP  45           HN       ASP  45  38.292   3.017   3.017
  309    HA   ASP  45           HA       ASP  45  36.335   2.006   2.006
  310   1HB   ASP  45           HB2      ASP  45  38.207   3.353   3.353
  311   2HB   ASP  45           HB1      ASP  45  39.281   1.989   1.989
  312    H    ALA  46           HN       ALA  46  39.005   0.184   0.184
  313    HA   ALA  46           HA       ALA  46  38.663  -2.235  -2.235
  314   1HB   ALA  46           HB2      ALA  46  40.059  -1.372  -1.372
  315   2HB   ALA  46           HB1      ALA  46  39.429  -3.011  -3.011
  316   3HB   ALA  46           HB3      ALA  46  40.515  -2.609  -2.609
  317    H    ILE  47           HN       ILE  47  37.704  -1.797  -1.797
  318    HA   ILE  47           HA       ILE  47  35.812  -3.958  -3.958
  319    HB   ILE  47           HB       ILE  47  36.932  -3.039  -3.039
  320   1HG1  ILE  47          HG12      ILE  47  33.924  -2.741  -2.741
  321   2HG1  ILE  47          HG11      ILE  47  34.772  -4.286  -4.286
  322   1HG2  ILE  47          HG23      ILE  47  35.625  -0.611  -0.611
  323   2HG2  ILE  47          HG22      ILE  47  35.347  -0.918  -0.918
  324   3HG2  ILE  47          HG21      ILE  47  36.996  -0.793  -0.793
  325   1HD1  ILE  47          HD12      ILE  47  36.158  -3.276  -3.276
  326   2HD1  ILE  47          HD11      ILE  47  34.976  -1.977  -1.977
  327   3HD1  ILE  47          HD13      ILE  47  34.468  -3.627  -3.627
  328    H    ILE  48           HN       ILE  48  35.662  -0.882  -0.882
  329    HA   ILE  48           HA       ILE  48  32.757  -0.551  -0.551
  330    HB   ILE  48           HB       ILE  48  34.964   1.068   1.068
  331   1HG1  ILE  48          HG12      ILE  48  32.895   1.685   1.685
  332   2HG1  ILE  48          HG11      ILE  48  34.569   1.244   1.244
  333   1HG2  ILE  48          HG23      ILE  48  32.656   0.984   0.984
  334   2HG2  ILE  48          HG22      ILE  48  32.141   2.047   2.047
  335   3HG2  ILE  48          HG21      ILE  48  33.486   2.513   2.513
  336   1HD1  ILE  48          HD11      ILE  48  33.734   3.629   3.629
  337   2HD1  ILE  48          HD13      ILE  48  34.148   3.725   3.725
  338   3HD1  ILE  48          HD12      ILE  48  35.365   3.233   3.233
  339    H    TYR  49           HN       TYR  49  35.085  -1.805  -1.805
  340    HA   TYR  49           HA       TYR  49  33.106  -1.950  -1.950
  341   1HB   TYR  49           HB2      TYR  49  35.305  -1.511  -1.511
  342   2HB   TYR  49           HB1      TYR  49  36.013  -2.750  -2.750
  343    HD1  TYR  49           HD1      TYR  49  33.363  -2.427  -2.427
  344    HD2  TYR  49           HD2      TYR  49  36.523  -4.810  -4.810
  345    HE1  TYR  49           HE1      TYR  49  33.004  -4.128  -4.128
  346    HE2  TYR  49           HE2      TYR  49  36.167  -6.512  -6.512
  347    HH   TYR  49           HH       TYR  49  35.067  -7.028  -7.028
  348    H    GLN  50           HN       GLN  50  34.346  -3.981  -3.981
  349    HA   GLN  50           HA       GLN  50  33.149  -6.338  -6.338
  350   1HB   GLN  50           HB2      GLN  50  34.005  -7.638  -7.638
  351   2HB   GLN  50           HB1      GLN  50  35.267  -6.826  -6.826
  352   1HG   GLN  50           HG2      GLN  50  35.907  -6.215  -6.215
  353   2HG   GLN  50           HG1      GLN  50  34.798  -4.906  -4.906
  354   1HE2  GLN  50          HE22      GLN  50  33.088  -5.743  -5.743
  355   2HE2  GLN  50          HE21      GLN  50  33.886  -4.546  -4.546
  356    H    VAL  51           HN       VAL  51  32.540  -4.030  -4.030
  357    HA   VAL  51           HA       VAL  51  30.386  -5.503  -5.503
  358    HB   VAL  51           HB       VAL  51  31.395  -2.668  -2.668
  359   1HG1  VAL  51          HG12      VAL  51  28.695  -3.633  -3.633
  360   2HG1  VAL  51          HG11      VAL  51  29.516  -2.337  -2.337
  361   3HG1  VAL  51          HG13      VAL  51  29.115  -2.136  -2.136
  362   1HG2  VAL  51          HG21      VAL  51  31.422  -5.052  -5.052
  363   2HG2  VAL  51          HG23      VAL  51  32.485  -3.647  -3.647
  364   3HG2  VAL  51          HG22      VAL  51  30.936  -3.601  -3.601
  365    H    GLN  52           HN       GLN  52  30.560  -2.782  -2.782
  366    HA   GLN  52           HA       GLN  52  27.761  -2.475  -2.475
  367   1HB   GLN  52           HB2      GLN  52  30.152  -1.385  -1.385
  368   2HB   GLN  52           HB1      GLN  52  29.056  -1.765  -1.765
  369   1HG   GLN  52           HG2      GLN  52  27.424  -0.299  -0.299
  370   2HG   GLN  52           HG1      GLN  52  27.924  -0.415  -0.415
  371   1HE2  GLN  52          HE22      GLN  52  30.769   1.867   1.867
  372   2HE2  GLN  52          HE21      GLN  52  30.540   0.319   0.319
  373    H    HIS  53           HN       HIS  53  29.819  -5.002  -5.002
  374    HA   HIS  53           HA       HIS  53  27.570  -5.845  -5.845
  375   1HB   HIS  53           HB2      HIS  53  30.223  -6.235  -6.235
  376   2HB   HIS  53           HB1      HIS  53  28.720  -5.869  -5.869
  377    HD1  HIS  53           HD1      HIS  53  28.894  -3.627  -3.627
  378    HD2  HIS  53           HD2      HIS  53  30.957  -3.687  -3.687
  379    HE1  HIS  53           HE1      HIS  53  29.862  -1.309  -1.309
  380    H    GLY  54           HN       GLY  54  29.340  -6.621  -6.621
  381   1HA   GLY  54           HA2      GLY  54  29.841  -8.726  -8.726
  382   2HA   GLY  54           HA1      GLY  54  29.083  -9.445  -9.445
  383    H    LYS  55           HN       LYS  55  30.576 -10.751 -10.751
  384    HA   LYS  55           HA       LYS  55  32.518 -10.348 -10.348
  385   1HB   LYS  55           HB2      LYS  55  33.503  -9.305  -9.305
  386   2HB   LYS  55           HB1      LYS  55  34.588 -10.469 -10.469
  387   1HG   LYS  55           HG2      LYS  55  34.703  -7.872  -7.872
  388   2HG   LYS  55           HG1      LYS  55  35.033  -9.140  -9.140
  389   1HD   LYS  55           HD2      LYS  55  32.181  -8.475  -8.475
  390   2HD   LYS  55           HD1      LYS  55  33.175  -7.085  -7.085
  391   1HE   LYS  55           HE2      LYS  55  33.474  -7.892  -7.892
  392   2HE   LYS  55           HE1      LYS  55  34.112  -9.403  -9.403
  393   1HZ   LYS  55           HZ1      LYS  55  31.290  -9.222  -9.222
  394   2HZ   LYS  55           HZ3      LYS  55  31.721  -9.061  -9.061
  395   3HZ   LYS  55           HZ2      LYS  55  32.210 -10.433 -10.433
  396    H    ASN  56           HN       ASN  56  33.510 -12.251 -12.251
  397    HA   ASN  56           HA       ASN  56  33.765 -14.576 -14.576
  398   1HB   ASN  56           HB2      ASN  56  34.518 -13.880 -13.880
  399   2HB   ASN  56           HB1      ASN  56  34.726 -15.493 -15.493
  400   1HD2  ASN  56          HD22      ASN  56  36.980 -12.456 -12.456
  401   2HD2  ASN  56          HD21      ASN  56  35.410 -12.112 -12.112
  402    H    ALA  57           HN       ALA  57  32.845 -14.601 -14.601
  403    HA   ALA  57           HA       ALA  57  30.154 -15.672 -15.672
  404   1HB   ALA  57           HB1      ALA  57  32.199 -17.233 -17.233
  405   2HB   ALA  57           HB3      ALA  57  31.355 -16.758 -16.758
  406   3HB   ALA  57           HB2      ALA  57  30.485 -17.595 -17.595
  407    H    MET  58           HN       MET  58  30.492 -13.028 -13.028
  408    HA   MET  58           HA       MET  58  29.530 -12.836 -12.836
  409   1HB   MET  58           HB2      MET  58  31.696 -11.880 -11.880
  410   2HB   MET  58           HB1      MET  58  31.377 -11.031 -11.031
  411   1HG   MET  58           HG2      MET  58  29.499  -9.830  -9.830
  412   2HG   MET  58           HG1      MET  58  30.384 -10.413 -10.413
  413   1HE   MET  58           HE1      MET  58  30.961  -8.304  -8.304
  414   2HE   MET  58           HE3      MET  58  31.669  -6.896  -6.896
  415   3HE   MET  58           HE2      MET  58  30.030  -7.408  -7.408
  416    HA   PRO  59           HA       PRO  59  25.946 -10.975 -10.975
  417   1HB   PRO  59           HB2      PRO  59  24.989  -9.906  -9.906
  418   2HB   PRO  59           HB1      PRO  59  24.892 -11.620 -11.620
  419   1HG   PRO  59           HG2      PRO  59  26.661 -10.211 -10.211
  420   2HG   PRO  59           HG1      PRO  59  26.131 -11.898 -11.898
  421   1HD   PRO  59           HD2      PRO  59  28.652 -10.920 -10.920
  422   2HD   PRO  59           HD1      PRO  59  28.032 -12.560 -12.560
  423    H    ALA  60           HN       ALA  60  26.290  -9.154  -9.154
  424    HA   ALA  60           HA       ALA  60  27.492  -6.734  -6.734
  425   1HB   ALA  60           HB1      ALA  60  24.813  -7.183  -7.183
  426   2HB   ALA  60           HB3      ALA  60  25.835  -5.766  -5.766
  427   3HB   ALA  60           HB2      ALA  60  26.384  -7.350  -7.350
  428    H    PHE  61           HN       PHE  61  26.483  -4.601  -4.601
  429    HA   PHE  61           HA       PHE  61  24.227  -4.560  -4.560
  430   1HB   PHE  61           HB2      PHE  61  27.048  -3.806  -3.806
  431   2HB   PHE  61           HB1      PHE  61  25.653  -3.149  -3.149
  432    HD1  PHE  61           HD1      PHE  61  23.946  -4.805  -4.805
  433    HD2  PHE  61           HD2      PHE  61  27.866  -5.953  -5.953
  434    HE1  PHE  61           HE1      PHE  61  23.793  -6.894  -6.894
  435    HE2  PHE  61           HE2      PHE  61  27.715  -8.034  -8.034
  436    HZ   PHE  61           HZ       PHE  61  25.682  -8.504  -8.504
  437    H    ALA  62           HN       ALA  62  25.414  -3.441  -3.441
  438    HA   ALA  62           HA       ALA  62  25.805  -0.702  -0.702
  439   1HB   ALA  62           HB3      ALA  62  24.978  -2.627  -2.627
  440   2HB   ALA  62           HB2      ALA  62  24.025  -1.156  -1.156
  441   3HB   ALA  62           HB1      ALA  62  25.785  -1.078  -1.078
  442    H    GLY  63           HN       GLY  63  22.861  -2.492  -2.492
  443   1HA   GLY  63           HA2      GLY  63  21.620  -0.092  -0.092
  444   2HA   GLY  63           HA1      GLY  63  20.809  -0.698  -0.698
  445    H    ARG  64           HN       ARG  64  22.465  -2.623  -2.623
  446    HA   ARG  64           HA       ARG  64  19.903  -4.012  -4.012
  447   1HB   ARG  64           HB2      ARG  64  21.861  -5.358  -5.358
  448   2HB   ARG  64           HB1      ARG  64  22.768  -4.813  -4.813
  449   1HG   ARG  64           HG2      ARG  64  20.959  -5.802  -5.802
  450   2HG   ARG  64           HG1      ARG  64  20.246  -6.488  -6.488
  451   1HD   ARG  64           HD2      ARG  64  23.052  -7.044  -7.044
  452   2HD   ARG  64           HD1      ARG  64  22.399  -7.532  -7.532
  453    HE   ARG  64           HE       ARG  64  21.708  -8.717  -8.717
  454   1HH1  ARG  64          HH11      ARG  64  22.116  -9.450  -9.450
  455   2HH1  ARG  64          HH12      ARG  64  20.656 -10.361 -10.361
  456   1HH2  ARG  64          HH21      ARG  64  19.328  -9.401  -9.401
  457   2HH2  ARG  64          HH22      ARG  64  19.079 -10.333 -10.333
  458    H    LEU  65           HN       LEU  65  22.785  -2.502  -2.502
  459    HA   LEU  65           HA       LEU  65  21.775  -2.438  -2.438
  460   1HB   LEU  65           HB2      LEU  65  24.029  -0.843  -0.843
  461   2HB   LEU  65           HB1      LEU  65  23.769  -1.151  -1.151
  462    HG   LEU  65           HG       LEU  65  24.518  -3.145  -3.145
  463   1HD1  LEU  65          HD12      LEU  65  26.028  -1.577  -1.577
  464   2HD1  LEU  65          HD11      LEU  65  25.990  -3.177  -3.177
  465   3HD1  LEU  65          HD13      LEU  65  26.596  -2.981  -2.981
  466   1HD2  LEU  65          HD22      LEU  65  23.507  -3.573  -3.573
  467   2HD2  LEU  65          HD21      LEU  65  22.880  -4.273  -4.273
  468   3HD2  LEU  65          HD23      LEU  65  24.443  -4.793  -4.793
  469    H    THR  66           HN       THR  66  22.731   0.404   0.404
  470    HA   THR  66           HA       THR  66  20.147   1.625   1.625
  471    HB   THR  66           HB       THR  66  22.250   2.431   2.431
  472    HG1  THR  66           HG1      THR  66  19.506   1.781   1.781
  473   1HG2  THR  66          HG23      THR  66  19.967   4.108   4.108
  474   2HG2  THR  66          HG22      THR  66  20.916   4.499   4.499
  475   3HG2  THR  66          HG21      THR  66  21.687   4.463   4.463
  476    H    ASP  67           HN       ASP  67  23.568   2.590   2.590
  477    HA   ASP  67           HA       ASP  67  24.248   3.146   3.146
  478   1HB   ASP  67           HB2      ASP  67  22.061   4.961   4.961
  479   2HB   ASP  67           HB1      ASP  67  23.475   5.791   5.791
  480    H    GLU  68           HN       GLU  68  23.694   5.190   5.190
  481    HA   GLU  68           HA       GLU  68  26.340   6.354   6.354
  482   1HB   GLU  68           HB2      GLU  68  24.601   7.540   7.540
  483   2HB   GLU  68           HB1      GLU  68  24.110   6.106   6.106
  484   1HG   GLU  68           HG2      GLU  68  25.874   6.297   6.297
  485   2HG   GLU  68           HG1      GLU  68  26.925   7.084   7.084
  486    H    GLN  69           HN       GLN  69  25.354   3.254   3.254
  487    HA   GLN  69           HA       GLN  69  27.433   2.650   2.650
  488   1HB   GLN  69           HB2      GLN  69  25.791   0.400   0.400
  489   2HB   GLN  69           HB1      GLN  69  26.061   1.151   1.151
  490   1HG   GLN  69           HG2      GLN  69  24.055   2.046   2.046
  491   2HG   GLN  69           HG1      GLN  69  23.670   1.230   1.230
  492   1HE2  GLN  69          HE22      GLN  69  25.291   4.554   4.554
  493   2HE2  GLN  69          HE21      GLN  69  26.144   3.132   3.132
  494    H    ILE  70           HN       ILE  70  26.257   2.061   2.061
  495    HA   ILE  70           HA       ILE  70  28.114  -0.030  -0.030
  496    HB   ILE  70           HB       ILE  70  27.154   2.275   2.275
  497   1HG1  ILE  70          HG12      ILE  70  25.219   1.090   1.090
  498   2HG1  ILE  70          HG11      ILE  70  25.537   0.493   0.493
  499   1HG2  ILE  70          HG21      ILE  70  29.196   0.688   0.688
  500   2HG2  ILE  70          HG23      ILE  70  27.902  -0.433  -0.433
  501   3HG2  ILE  70          HG22      ILE  70  28.005   1.136   1.136
  502   1HD1  ILE  70          HD11      ILE  70  26.766  -1.435  -1.435
  503   2HD1  ILE  70          HD13      ILE  70  26.383  -0.849  -0.849
  504   3HD1  ILE  70          HD12      ILE  70  25.089  -1.387  -1.387
  505    H    GLN  71           HN       GLN  71  28.326   3.267   3.267
  506    HA   GLN  71           HA       GLN  71  31.073   3.648   3.648
  507   1HB   GLN  71           HB2      GLN  71  28.764   5.283   5.283
  508   2HB   GLN  71           HB1      GLN  71  30.378   5.933   5.933
  509   1HG   GLN  71           HG2      GLN  71  29.363   6.658   6.658
  510   2HG   GLN  71           HG1      GLN  71  30.891   5.797   5.797
  511   1HE2  GLN  71          HE22      GLN  71  27.431   4.104   4.104
  512   2HE2  GLN  71          HE21      GLN  71  27.379   5.526   5.526
  513    H    ASP  72           HN       ASP  72  29.306   4.593   4.593
  514    HA   ASP  72           HA       ASP  72  31.302   4.766   4.766
  515   1HB   ASP  72           HB2      ASP  72  28.437   3.839   3.839
  516   2HB   ASP  72           HB1      ASP  72  29.432   4.000   4.000
  517    H    VAL  73           HN       VAL  73  29.398   1.878   1.878
  518    HA   VAL  73           HA       VAL  73  30.693   0.072   0.072
  519    HB   VAL  73           HB       VAL  73  28.534  -0.112  -0.112
  520   1HG1  VAL  73          HG12      VAL  73  30.159  -0.307  -0.307
  521   2HG1  VAL  73          HG11      VAL  73  30.491  -1.931  -1.931
  522   3HG1  VAL  73          HG13      VAL  73  28.854  -1.488  -1.488
  523   1HG2  VAL  73          HG22      VAL  73  30.277  -2.060  -2.060
  524   2HG2  VAL  73          HG21      VAL  73  28.567  -1.705  -1.705
  525   3HG2  VAL  73          HG23      VAL  73  29.072  -2.731  -2.731
  526    H    ALA  74           HN       ALA  74  31.566   1.157   1.157
  527    HA   ALA  74           HA       ALA  74  33.613  -0.851  -0.851
  528   1HB   ALA  74           HB3      ALA  74  32.496   0.970   0.970
  529   2HB   ALA  74           HB2      ALA  74  33.991   1.811   1.811
  530   3HB   ALA  74           HB1      ALA  74  34.053   0.207   0.207
  531    H    ALA  75           HN       ALA  75  33.921   2.645   2.645
  532    HA   ALA  75           HA       ALA  75  36.583   2.655   2.655
  533   1HB   ALA  75           HB2      ALA  75  34.169   4.403   4.403
  534   2HB   ALA  75           HB1      ALA  75  35.466   4.650   4.650
  535   3HB   ALA  75           HB3      ALA  75  35.799   4.818   4.818
  536    H    TYR  76           HN       TYR  76  33.635   1.553   1.553
  537    HA   TYR  76           HA       TYR  76  34.202   1.664   1.664
  538   1HB   TYR  76           HB2      TYR  76  31.933   1.255   1.255
  539   2HB   TYR  76           HB1      TYR  76  32.455  -0.157  -0.157
  540    HD1  TYR  76           HD1      TYR  76  32.019   1.182   1.182
  541    HD2  TYR  76           HD2      TYR  76  32.707  -2.243  -2.243
  542    HE1  TYR  76           HE1      TYR  76  31.632  -0.187  -0.187
  543    HE2  TYR  76           HE2      TYR  76  32.288  -3.685  -3.685
  544    HH   TYR  76           HH       TYR  76  32.310  -3.563  -3.563
  545    H    VAL  77           HN       VAL  77  34.723  -0.897  -0.897
  546    HA   VAL  77           HA       VAL  77  35.907  -2.695  -2.695
  547    HB   VAL  77           HB       VAL  77  36.097  -2.540  -2.540
  548   1HG1  VAL  77          HG11      VAL  77  37.974  -3.772  -3.772
  549   2HG1  VAL  77          HG13      VAL  77  36.767  -5.055  -5.055
  550   3HG1  VAL  77          HG12      VAL  77  37.442  -4.394  -4.394
  551   1HG2  VAL  77          HG22      VAL  77  34.522  -4.273  -4.273
  552   2HG2  VAL  77          HG21      VAL  77  33.873  -3.102  -3.102
  553   3HG2  VAL  77          HG23      VAL  77  34.630  -4.586  -4.586
  554    H    LEU  78           HN       LEU  78  37.004   0.039   0.039
  555    HA   LEU  78           HA       LEU  78  39.850  -0.581  -0.581
  556   1HB   LEU  78           HB2      LEU  78  38.890   2.163   2.163
  557   2HB   LEU  78           HB1      LEU  78  40.296   1.282   1.282
  558    HG   LEU  78           HG       LEU  78  37.412   1.009   1.009
  559   1HD1  LEU  78          HD12      LEU  78  39.927   1.941   1.941
  560   2HD1  LEU  78          HD11      LEU  78  39.172   0.717   0.717
  561   3HD1  LEU  78          HD13      LEU  78  38.282   2.177   2.177
  562   1HD2  LEU  78          HD22      LEU  78  39.321  -1.159  -1.159
  563   2HD2  LEU  78          HD21      LEU  78  37.617  -1.233  -1.233
  564   3HD2  LEU  78          HD23      LEU  78  38.846  -0.987  -0.987
  565    H    ASP  79           HN       ASP  79  37.346   0.663   0.663
  566    HA   ASP  79           HA       ASP  79  39.100   2.375   2.375
  567   1HB   ASP  79           HB2      ASP  79  36.600   2.809   2.809
  568   2HB   ASP  79           HB1      ASP  79  36.240   1.860   1.860
  569    H    GLN  80           HN       GLN  80  37.233  -0.575  -0.575
  570    HA   GLN  80           HA       GLN  80  37.633  -1.105  -1.105
  571   1HB   GLN  80           HB2      GLN  80  36.819  -3.007  -3.007
  572   2HB   GLN  80           HB1      GLN  80  36.488  -3.160  -3.160
  573   1HG   GLN  80           HG2      GLN  80  35.569  -0.622  -0.622
  574   2HG   GLN  80           HG1      GLN  80  34.793  -2.035  -2.035
  575   1HE2  GLN  80          HE22      GLN  80  33.462  -0.837  -0.837
  576   2HE2  GLN  80          HE21      GLN  80  34.281   0.139   0.139
  577    H    ALA  81           HN       ALA  81  39.164  -2.070  -2.070
  578    HA   ALA  81           HA       ALA  81  40.776  -4.180  -4.180
  579   1HB   ALA  81           HB3      ALA  81  41.148  -2.372  -2.372
  580   2HB   ALA  81           HB2      ALA  81  42.227  -3.717  -3.717
  581   3HB   ALA  81           HB1      ALA  81  40.528  -4.022  -4.022
  582    H    ALA  82           HN       ALA  82  41.423  -0.711  -0.711
  583    HA   ALA  82           HA       ALA  82  44.033  -1.001  -1.001
  584   1HB   ALA  82           HB2      ALA  82  42.566   1.368   1.368
  585   2HB   ALA  82           HB1      ALA  82  44.161   1.483   1.483
  586   3HB   ALA  82           HB3      ALA  82  43.934   0.506   0.506
  587    H    LYS  83           HN       LYS  83  41.197  -1.151  -1.151
  588    HA   LYS  83           HA       LYS  83  42.183   0.444   0.444
  589   1HB   LYS  83           HB2      LYS  83  40.235   1.711   1.711
  590   2HB   LYS  83           HB1      LYS  83  40.461   1.742   1.742
  591   1HG   LYS  83           HG2      LYS  83  38.908  -0.235  -0.235
  592   2HG   LYS  83           HG1      LYS  83  38.584  -0.050  -0.050
  593   1HD   LYS  83           HD2      LYS  83  38.223   2.228   2.228
  594   2HD   LYS  83           HD1      LYS  83  36.927   1.090   1.090
  595   1HE   LYS  83           HE2      LYS  83  36.848   1.740   1.740
  596   2HE   LYS  83           HE1      LYS  83  38.418   2.540   2.540
  597   1HZ   LYS  83           HZ1      LYS  83  37.140   3.915   3.915
  598   2HZ   LYS  83           HZ3      LYS  83  35.800   3.474   3.474
  599   3HZ   LYS  83           HZ2      LYS  83  37.083   4.340   4.340
  600    H    GLY  84           HN       GLY  84  41.775  -2.509  -2.509
  601   1HA   GLY  84           HA2      GLY  84  41.434  -4.260  -4.260
  602   2HA   GLY  84           HA1      GLY  84  40.606  -3.108  -3.108
  603    H    TRP  85           HN       TRP  85  40.227  -4.778  -4.778
  604    HA   TRP  85           HA       TRP  85  37.596  -4.402  -4.402
  605   1HB   TRP  85           HB2      TRP  85  39.496  -6.571  -6.571
  606   2HB   TRP  85           HB1      TRP  85  37.850  -7.178  -7.178
  607    HD1  TRP  85           HD1      TRP  85  40.177  -6.117  -6.117
  608    HE1  TRP  85           HE1      TRP  85  38.987  -5.254  -5.254
  609    HE3  TRP  85           HE3      TRP  85  35.494  -5.471  -5.471
  610    HZ2  TRP  85           HZ2      TRP  85  36.378  -4.446  -4.446
  611    HZ3  TRP  85           HZ3      TRP  85  33.669  -4.630  -4.630
  612    HH2  TRP  85           HH2      TRP  85  34.091  -4.080  -4.080
  613    H    ALA  86           HN       ALA  86  36.422  -3.985  -3.985
  614    HA   ALA  86           HA       ALA  86  35.108  -4.581  -4.581
  615   1HB   ALA  86           HB3      ALA  86  33.865  -5.564  -5.564
  616   2HB   ALA  86           HB2      ALA  86  34.697  -7.089  -7.089
  617   3HB   ALA  86           HB1      ALA  86  33.600  -6.431  -6.431
  618    H    GLY  87           HN       GLY  87  37.970  -5.468  -5.468
  619   1HA   GLY  87           HA2      GLY  87  39.398  -6.938  -6.938
  620   2HA   GLY  87           HA1      GLY  87  38.200  -6.730  -6.730
  621    HHA  HEC  88           HA       HEM  88  36.078  -9.977  -9.977
  622    HHB  HEC  88           HB       HEM  88  33.688  -5.266  -5.266
  623    HHC  HEC  88           HC       HEM  88  28.048  -8.183  -8.183
  624    HHD  HEC  88           HD       HEM  88  30.665 -13.152 -13.152
  625   1HMA  HEC  88          HMA1      HEM  88  37.360  -6.011  -6.011
  626   2HMA  HEC  88          HMA2      HEM  88  35.833  -5.218  -5.218
  627   3HMA  HEC  88          HMA3      HEM  88  36.526  -4.820  -4.820
  628   1HAA  HEC  88          HAA1      HEM  88  38.149  -7.497  -7.497
  629   2HAA  HEC  88          HAA2      HEM  88  37.608  -9.029  -9.029
  630   1HBA  HEC  88          HBA1      HEM  88  38.775  -7.394  -7.394
  631   2HBA  HEC  88          HBA2      HEM  88  37.286  -6.384  -6.384
  632   1HMB  HEC  88          HMB1      HEM  88  30.527  -3.651  -3.651
  633   2HMB  HEC  88          HMB2      HEM  88  32.287  -3.921  -3.921
  634   3HMB  HEC  88          HMB3      HEM  88  31.520  -4.601  -4.601
  635    HAB  HEC  88           HAB      HEM  88  27.743  -6.420  -6.420
  636   1HBB  HEC  88          HBB1      HEM  88  27.554  -4.859  -4.859
  637   2HBB  HEC  88          HBB2      HEM  88  29.199  -4.189  -4.189
  638   3HBB  HEC  88          HBB3      HEM  88  27.790  -3.635  -3.635
  639   1HMC  HEC  88          HMC1      HEM  88  26.672 -11.111 -11.111
  640   2HMC  HEC  88          HMC2      HEM  88  26.647  -9.427  -9.427
  641   3HMC  HEC  88          HMC3      HEM  88  26.082 -10.793 -10.793
  642    HAC  HEC  88           HAC      HEM  88  27.366 -13.309 -13.309
  643   1HBC  HEC  88          HBC1      HEM  88  28.931 -15.204 -15.204
  644   2HBC  HEC  88          HBC2      HEM  88  30.264 -13.995 -13.995
  645   3HBC  HEC  88          HBC3      HEM  88  29.225 -14.357 -14.357
  646   1HMD  HEC  88          HMD1      HEM  88  32.315 -14.622 -14.622
  647   2HMD  HEC  88          HMD2      HEM  88  32.455 -14.011 -14.011
  648   3HMD  HEC  88          HMD3      HEM  88  33.920 -14.621 -14.621
  649   1HAD  HEC  88          HAD1      HEM  88  36.067 -13.276 -13.276
  650   2HAD  HEC  88          HAD2      HEM  88  36.372 -11.545 -11.545
  651   1HBD  HEC  88          HBD1      HEM  88  35.555 -13.815 -13.815
  652   2HBD  HEC  88          HBD2      HEM  88  34.349 -12.470 -12.470

  Start of MODEL   16
    1   1H    ALA   1           HT3      ALA   1  28.504   9.588   9.588
    2   2H    ALA   1           HT2      ALA   1  27.578  10.906  10.906
    3   3H    ALA   1           HT1      ALA   1  28.926  10.385  10.385
    4    HA   ALA   1           HA       ALA   1  29.857  12.158  12.158
    5   1HB   ALA   1           HB3      ALA   1  28.021  11.459  11.459
    6   2HB   ALA   1           HB2      ALA   1  29.206  12.763  12.763
    7   3HB   ALA   1           HB1      ALA   1  27.863  12.830  12.830
    8    H    ASP   2           HN       ASP   2  29.191   9.704   9.704
    9    HA   ASP   2           HA       ASP   2  32.146   9.374   9.374
   10   1HB   ASP   2           HB2      ASP   2  30.035   8.474   8.474
   11   2HB   ASP   2           HB1      ASP   2  31.755   8.771   8.771
   12    H    LEU   3           HN       LEU   3  32.996   7.227   7.227
   13    HA   LEU   3           HA       LEU   3  31.285   5.300   5.300
   14   1HB   LEU   3           HB2      LEU   3  33.184   3.933   3.933
   15   2HB   LEU   3           HB1      LEU   3  33.833   5.571   5.571
   16    HG   LEU   3           HG       LEU   3  35.301   4.391   4.391
   17   1HD1  LEU   3          HD13      LEU   3  33.275   5.888   5.888
   18   2HD1  LEU   3          HD12      LEU   3  34.824   5.326   5.326
   19   3HD1  LEU   3          HD11      LEU   3  34.770   6.517   6.517
   20   1HD2  LEU   3          HD21      LEU   3  33.148   2.720   2.720
   21   2HD2  LEU   3          HD23      LEU   3  34.688   2.573   2.573
   22   3HD2  LEU   3          HD22      LEU   3  33.341   3.417   3.417
   23    H    ALA   4           HN       ALA   4  31.310   6.296   6.296
   24    HA   ALA   4           HA       ALA   4  31.351   3.943   3.943
   25   1HB   ALA   4           HB3      ALA   4  30.305   6.710   6.710
   26   2HB   ALA   4           HB2      ALA   4  29.441   5.514   5.514
   27   3HB   ALA   4           HB1      ALA   4  31.176   5.748   5.748
   28    H    ASN   5           HN       ASN   5  28.895   5.624   5.624
   29    HA   ASN   5           HA       ASN   5  26.606   4.097   4.097
   30   1HB   ASN   5           HB2      ASN   5  27.420   6.081   6.081
   31   2HB   ASN   5           HB1      ASN   5  26.932   4.745   4.745
   32   1HD2  ASN   5          HD22      ASN   5  23.753   6.464   6.464
   33   2HD2  ASN   5          HD21      ASN   5  25.155   6.591   6.591
   34    H    GLY   6           HN       GLY   6  29.404   3.432   3.432
   35   1HA   GLY   6           HA2      GLY   6  28.530   1.202   1.202
   36   2HA   GLY   6           HA1      GLY   6  30.192   1.447   1.447
   37    H    ALA   7           HN       ALA   7  29.947   1.263   1.263
   38    HA   ALA   7           HA       ALA   7  29.969  -1.472  -1.472
   39   1HB   ALA   7           HB3      ALA   7  30.181   0.887   0.887
   40   2HB   ALA   7           HB2      ALA   7  28.928  -0.086  -0.086
   41   3HB   ALA   7           HB1      ALA   7  30.539  -0.762  -0.762
   42    H    LYS   8           HN       LYS   8  27.218   0.704   0.704
   43    HA   LYS   8           HA       LYS   8  25.336  -1.194  -1.194
   44   1HB   LYS   8           HB2      LYS   8  24.342   0.885   0.885
   45   2HB   LYS   8           HB1      LYS   8  25.216   1.394   1.394
   46   1HG   LYS   8           HG2      LYS   8  23.239  -0.766  -0.766
   47   2HG   LYS   8           HG1      LYS   8  22.544   0.772   0.772
   48   1HD   LYS   8           HD2      LYS   8  24.348   0.276   0.276
   49   2HD   LYS   8           HD1      LYS   8  22.663   0.792   0.792
   50   1HE   LYS   8           HE2      LYS   8  24.082   2.620   2.620
   51   2HE   LYS   8           HE1      LYS   8  25.017   2.405   2.405
   52   1HZ   LYS   8           HZ1      LYS   8  22.663   2.634   2.634
   53   2HZ   LYS   8           HZ3      LYS   8  22.302   3.453   3.453
   54   3HZ   LYS   8           HZ2      LYS   8  23.552   4.015   4.015
   55    H    VAL   9           HN       VAL   9  26.464  -0.292  -0.292
   56    HA   VAL   9           HA       VAL   9  24.898  -2.127  -2.127
   57    HB   VAL   9           HB       VAL   9  27.711  -1.193  -1.193
   58   1HG1  VAL   9          HG12      VAL   9  26.602  -2.979  -2.979
   59   2HG1  VAL   9          HG11      VAL   9  25.375  -1.782  -1.782
   60   3HG1  VAL   9          HG13      VAL   9  27.058  -1.515  -1.515
   61   1HG2  VAL   9          HG22      VAL   9  25.071   0.207   0.207
   62   2HG2  VAL   9          HG21      VAL   9  26.340   0.738   0.738
   63   3HG2  VAL   9          HG23      VAL   9  26.626   0.740   0.740
   64    H    PHE  10           HN       PHE  10  28.407  -2.415  -2.415
   65    HA   PHE  10           HA       PHE  10  28.671  -5.104  -5.104
   66   1HB   PHE  10           HB2      PHE  10  30.573  -3.579  -3.579
   67   2HB   PHE  10           HB1      PHE  10  30.200  -3.523  -3.523
   68    HD1  PHE  10           HD1      PHE  10  30.109  -5.691  -5.691
   69    HD2  PHE  10           HD2      PHE  10  31.921  -5.362  -5.362
   70    HE1  PHE  10           HE1      PHE  10  31.315  -7.783  -7.783
   71    HE2  PHE  10           HE2      PHE  10  33.139  -7.483  -7.483
   72    HZ   PHE  10           HZ       PHE  10  32.845  -8.700  -8.700
   73    H    SER  11           HN       SER  11  27.406  -3.700  -3.700
   74    HA   SER  11           HA       SER  11  27.525  -6.295  -6.295
   75   1HB   SER  11           HB2      SER  11  27.993  -4.117  -4.117
   76   2HB   SER  11           HB1      SER  11  26.296  -3.696  -3.696
   77    HG   SER  11           HG       SER  11  27.451  -5.448  -5.448
   78    H    GLY  12           HN       GLY  12  25.901  -5.946  -5.946
   79   1HA   GLY  12           HA2      GLY  12  23.421  -7.030  -7.030
   80   2HA   GLY  12           HA1      GLY  12  23.223  -5.501  -5.501
   81    H    ASN  13           HN       ASN  13  25.471  -6.263  -6.263
   82    HA   ASN  13           HA       ASN  13  24.025  -8.371  -8.371
   83   1HB   ASN  13           HB2      ASN  13  25.430  -6.113  -6.113
   84   2HB   ASN  13           HB1      ASN  13  24.061  -7.077  -7.077
   85   1HD2  ASN  13          HD22      ASN  13  23.423  -3.730  -3.730
   86   2HD2  ASN  13          HD21      ASN  13  25.005  -4.304  -4.304
   87    H    CYS  14           HN       CYS  14  27.055  -6.559  -6.559
   88    HA   CYS  14           HA       CYS  14  28.642  -8.520  -8.520
   89   1HB   CYS  14           HB2      CYS  14  29.756  -6.472  -6.472
   90   2HB   CYS  14           HB1      CYS  14  30.439  -7.053  -7.053
   91    H    ALA  15           HN       ALA  15  27.678  -8.073  -8.073
   92    HA   ALA  15           HA       ALA  15  29.716  -9.549  -9.549
   93   1HB   ALA  15           HB3      ALA  15  26.770  -9.234  -9.234
   94   2HB   ALA  15           HB2      ALA  15  27.907 -10.037 -10.037
   95   3HB   ALA  15           HB1      ALA  15  28.115  -8.329  -8.329
   96    H    ALA  16           HN       ALA  16  26.831 -10.615 -10.615
   97    HA   ALA  16           HA       ALA  16  26.823 -13.338 -13.338
   98   1HB   ALA  16           HB3      ALA  16  25.670 -11.758 -11.758
   99   2HB   ALA  16           HB2      ALA  16  25.862 -13.480 -13.480
  100   3HB   ALA  16           HB1      ALA  16  24.907 -12.947 -12.947
  101    H    CYS  17           HN       CYS  17  28.554 -11.796 -11.796
  102    HA   CYS  17           HA       CYS  17  29.891 -14.425 -14.425
  103   1HB   CYS  17           HB2      CYS  17  28.743 -12.575 -12.575
  104   2HB   CYS  17           HB1      CYS  17  30.486 -12.406 -12.406
  105    H    HIS  18           HN       HIS  18  30.541 -12.380 -12.380
  106    HA   HIS  18           HA       HIS  18  33.431 -12.368 -12.368
  107   1HB   HIS  18           HB2      HIS  18  31.852  -9.778  -9.778
  108   2HB   HIS  18           HB1      HIS  18  33.598  -9.884  -9.884
  109    HD1  HIS  18           HD1      HIS  18  35.023 -10.505 -10.505
  110    HD2  HIS  18           HD2      HIS  18  30.972 -10.131 -10.131
  111    HE1  HIS  18           HE1      HIS  18  34.845 -10.474 -10.474
  112    H    MET  19           HN       MET  19  30.912 -10.791 -10.791
  113    HA   MET  19           HA       MET  19  30.849 -10.356 -10.356
  114   1HB   MET  19           HB2      MET  19  31.323 -12.687 -12.687
  115   2HB   MET  19           HB1      MET  19  29.848 -12.399 -12.399
  116   1HG   MET  19           HG2      MET  19  30.922 -13.412 -13.412
  117   2HG   MET  19           HG1      MET  19  32.369 -13.737 -13.737
  118   1HE   MET  19           HE3      MET  19  28.763 -13.766 -13.766
  119   2HE   MET  19           HE2      MET  19  28.551 -15.429 -15.429
  120   3HE   MET  19           HE1      MET  19  28.196 -14.997 -14.997
  121    H    GLY  20           HN       GLY  20  32.498  -9.002  -9.002
  122   1HA   GLY  20           HA2      GLY  20  34.470  -8.409  -8.409
  123   2HA   GLY  20           HA1      GLY  20  34.646 -10.109 -10.109
  124    H    GLY  21           HN       GLY  21  34.653  -8.364  -8.364
  125   1HA   GLY  21           HA2      GLY  21  36.049  -8.691  -8.691
  126   2HA   GLY  21           HA1      GLY  21  37.315  -8.380  -8.380
  127    H    GLY  22           HN       GLY  22  35.094 -11.088 -11.088
  128   1HA   GLY  22           HA2      GLY  22  37.436 -12.854 -12.854
  129   2HA   GLY  22           HA1      GLY  22  36.308 -13.276 -13.276
  130    H    ASN  23           HN       ASN  23  36.666 -12.935 -12.935
  131    HA   ASN  23           HA       ASN  23  34.066 -13.516 -13.516
  132   1HB   ASN  23           HB2      ASN  23  36.498 -13.255 -13.255
  133   2HB   ASN  23           HB1      ASN  23  36.199 -14.983 -14.983
  134   1HD2  ASN  23          HD22      ASN  23  34.466 -12.714 -12.714
  135   2HD2  ASN  23          HD21      ASN  23  35.997 -12.513 -12.513
  136    H    VAL  24           HN       VAL  24  33.128 -15.608 -15.608
  137    HA   VAL  24           HA       VAL  24  34.134 -17.893 -17.893
  138    HB   VAL  24           HB       VAL  24  31.830 -18.577 -18.577
  139   1HG1  VAL  24          HG11      VAL  24  32.975 -16.129 -16.129
  140   2HG1  VAL  24          HG13      VAL  24  31.240 -15.875 -15.875
  141   3HG1  VAL  24          HG12      VAL  24  31.830 -17.177 -17.177
  142   1HG2  VAL  24          HG21      VAL  24  31.357 -16.747 -16.747
  143   2HG2  VAL  24          HG23      VAL  24  30.317 -18.023 -18.023
  144   3HG2  VAL  24          HG22      VAL  24  30.279 -16.412 -16.412
  145    H    VAL  25           HN       VAL  25  33.399 -16.755 -16.755
  146    HA   VAL  25           HA       VAL  25  32.924 -19.496 -19.496
  147    HB   VAL  25           HB       VAL  25  32.881 -16.870 -16.870
  148   1HG1  VAL  25          HG11      VAL  25  32.681 -19.632 -19.632
  149   2HG1  VAL  25          HG13      VAL  25  31.118 -18.863 -18.863
  150   3HG1  VAL  25          HG12      VAL  25  32.570 -18.210 -18.210
  151   1HG2  VAL  25          HG23      VAL  25  30.719 -18.328 -18.328
  152   2HG2  VAL  25          HG22      VAL  25  31.181 -16.630 -16.630
  153   3HG2  VAL  25          HG21      VAL  25  30.338 -17.217 -17.217
  154    H    MET  26           HN       MET  26  34.865 -16.649 -16.649
  155    HA   MET  26           HA       MET  26  36.699 -17.984 -17.984
  156   1HB   MET  26           HB2      MET  26  38.309 -16.129 -16.129
  157   2HB   MET  26           HB1      MET  26  36.741 -15.587 -15.587
  158   1HG   MET  26           HG2      MET  26  36.851 -14.312 -14.312
  159   2HG   MET  26           HG1      MET  26  36.104 -15.761 -15.761
  160   1HE   MET  26           HE1      MET  26  36.633 -16.999 -16.999
  161   2HE   MET  26           HE3      MET  26  38.214 -17.769 -17.769
  162   3HE   MET  26           HE2      MET  26  37.697 -16.513 -16.513
  163    H    ALA  27           HN       ALA  27  39.239 -17.872 -17.872
  164    HA   ALA  27           HA       ALA  27  39.287 -19.626 -19.626
  165   1HB   ALA  27           HB3      ALA  27  39.913 -20.545 -20.545
  166   2HB   ALA  27           HB2      ALA  27  41.445 -19.734 -19.734
  167   3HB   ALA  27           HB1      ALA  27  40.873 -21.004 -21.004
  168    H    ASN  28           HN       ASN  28  40.244 -16.668 -16.668
  169    HA   ASN  28           HA       ASN  28  41.985 -16.188 -16.188
  170   1HB   ASN  28           HB2      ASN  28  43.923 -15.534 -15.534
  171   2HB   ASN  28           HB1      ASN  28  43.435 -17.091 -17.091
  172   1HD2  ASN  28          HD22      ASN  28  42.092 -15.519 -15.519
  173   2HD2  ASN  28          HD21      ASN  28  41.675 -16.732 -16.732
  174    H    LYS  29           HN       LYS  29  40.454 -14.957 -14.957
  175    HA   LYS  29           HA       LYS  29  40.765 -12.213 -12.213
  176   1HB   LYS  29           HB2      LYS  29  38.971 -13.951 -13.951
  177   2HB   LYS  29           HB1      LYS  29  37.987 -12.736 -12.736
  178   1HG   LYS  29           HG2      LYS  29  38.518 -11.756 -11.756
  179   2HG   LYS  29           HG1      LYS  29  39.647 -11.011 -11.011
  180   1HD   LYS  29           HD2      LYS  29  41.433 -12.451 -12.451
  181   2HD   LYS  29           HD1      LYS  29  40.330 -13.483 -13.483
  182   1HE   LYS  29           HE2      LYS  29  39.774 -11.262 -11.262
  183   2HE   LYS  29           HE1      LYS  29  41.330 -10.727 -10.727
  184   1HZ   LYS  29           HZ1      LYS  29  41.093 -13.350 -13.350
  185   2HZ   LYS  29           HZ3      LYS  29  41.239 -11.944 -11.944
  186   3HZ   LYS  29           HZ2      LYS  29  42.459 -12.355 -12.355
  187    H    THR  30           HN       THR  30  40.912 -11.619 -11.619
  188    HA   THR  30           HA       THR  30  38.312 -11.699 -11.699
  189    HB   THR  30           HB       THR  30  41.042 -11.394 -11.394
  190    HG1  THR  30           HG1      THR  30  39.549 -13.756 -13.756
  191   1HG2  THR  30          HG22      THR  30  38.273 -11.513 -11.513
  192   2HG2  THR  30          HG21      THR  30  39.279 -12.728 -12.728
  193   3HG2  THR  30          HG23      THR  30  39.718 -11.023 -11.023
  194    H    LEU  31           HN       LEU  31  37.733  -9.744  -9.744
  195    HA   LEU  31           HA       LEU  31  38.674  -7.324  -7.324
  196   1HB   LEU  31           HB2      LEU  31  36.940  -7.283  -7.283
  197   2HB   LEU  31           HB1      LEU  31  36.918  -6.215  -6.215
  198    HG   LEU  31           HG       LEU  31  35.723  -8.954  -8.954
  199   1HD1  LEU  31          HD13      LEU  31  34.616  -6.522  -6.522
  200   2HD1  LEU  31          HD12      LEU  31  34.706  -6.792  -6.792
  201   3HD1  LEU  31          HD11      LEU  31  33.810  -7.917  -7.917
  202   1HD2  LEU  31          HD23      LEU  31  37.166  -7.933  -7.933
  203   2HD2  LEU  31          HD22      LEU  31  36.812  -9.594  -9.594
  204   3HD2  LEU  31          HD21      LEU  31  35.565  -8.611  -8.611
  205    H    LYS  32           HN       LYS  32  39.786  -9.144  -9.144
  206    HA   LYS  32           HA       LYS  32  40.491  -7.287  -7.287
  207   1HB   LYS  32           HB2      LYS  32  41.827  -9.783  -9.783
  208   2HB   LYS  32           HB1      LYS  32  42.620  -8.799  -8.799
  209   1HG   LYS  32           HG2      LYS  32  40.982  -9.219  -9.219
  210   2HG   LYS  32           HG1      LYS  32  39.732  -9.499  -9.499
  211   1HD   LYS  32           HD2      LYS  32  40.183 -11.663 -11.663
  212   2HD   LYS  32           HD1      LYS  32  41.153 -11.573 -11.573
  213   1HE   LYS  32           HE2      LYS  32  42.762 -10.490 -10.490
  214   2HE   LYS  32           HE1      LYS  32  42.030 -11.946 -11.946
  215   1HZ   LYS  32           HZ2      LYS  32  42.984 -12.222 -12.222
  216   2HZ   LYS  32           HZ1      LYS  32  44.205 -11.925 -11.925
  217   3HZ   LYS  32           HZ3      LYS  32  43.175 -13.259 -13.259
  218    H    LYS  33           HN       LYS  33  42.642  -6.269  -6.269
  219    HA   LYS  33           HA       LYS  33  43.458  -4.650  -4.650
  220   1HB   LYS  33           HB2      LYS  33  43.672  -3.605  -3.605
  221   2HB   LYS  33           HB1      LYS  33  44.443  -5.015  -5.015
  222   1HG   LYS  33           HG2      LYS  33  46.072  -3.190  -3.190
  223   2HG   LYS  33           HG1      LYS  33  46.453  -4.638  -4.638
  224   1HD   LYS  33           HD2      LYS  33  46.528  -3.205  -3.205
  225   2HD   LYS  33           HD1      LYS  33  44.768  -3.307  -3.307
  226   1HE   LYS  33           HE2      LYS  33  45.330  -0.967  -0.967
  227   2HE   LYS  33           HE1      LYS  33  44.823  -1.368  -1.368
  228   1HZ   LYS  33           HZ1      LYS  33  47.312  -1.817  -1.817
  229   2HZ   LYS  33           HZ3      LYS  33  47.542  -0.885  -0.885
  230   3HZ   LYS  33           HZ2      LYS  33  46.774  -0.205  -0.205
  231    H    GLU  34           HN       GLU  34  44.650  -7.649  -7.649
  232    HA   GLU  34           HA       GLU  34  47.216  -7.466  -7.466
  233   1HB   GLU  34           HB2      GLU  34  45.823  -9.388  -9.388
  234   2HB   GLU  34           HB1      GLU  34  46.993 -10.090 -10.090
  235   1HG   GLU  34           HG2      GLU  34  48.119  -7.703  -7.703
  236   2HG   GLU  34           HG1      GLU  34  47.512  -8.717  -8.717
  237    H    ALA  35           HN       ALA  35  44.530  -9.791  -9.791
  238    HA   ALA  35           HA       ALA  35  45.529 -10.697 -10.697
  239   1HB   ALA  35           HB3      ALA  35  43.320 -11.341 -11.341
  240   2HB   ALA  35           HB2      ALA  35  42.847 -11.417 -11.417
  241   3HB   ALA  35           HB1      ALA  35  44.200 -12.387 -12.387
  242    H    LEU  36           HN       LEU  36  43.041  -8.279  -8.279
  243    HA   LEU  36           HA       LEU  36  42.077  -8.075  -8.075
  244   1HB   LEU  36           HB2      LEU  36  40.746  -6.383  -6.383
  245   2HB   LEU  36           HB1      LEU  36  41.157  -7.065  -7.065
  246    HG   LEU  36           HG       LEU  36  43.140  -5.431  -5.431
  247   1HD1  LEU  36          HD13      LEU  36  41.782  -4.815  -4.815
  248   2HD1  LEU  36          HD12      LEU  36  41.956  -3.385  -3.385
  249   3HD1  LEU  36          HD11      LEU  36  43.380  -4.324  -4.324
  250   1HD2  LEU  36          HD23      LEU  36  40.234  -4.825  -4.825
  251   2HD2  LEU  36          HD22      LEU  36  41.484  -4.895  -4.895
  252   3HD2  LEU  36          HD21      LEU  36  41.379  -3.496  -3.496
  253    H    GLU  37           HN       GLU  37  44.635  -6.381  -6.381
  254    HA   GLU  37           HA       GLU  37  45.421  -4.985  -4.985
  255   1HB   GLU  37           HB2      GLU  37  45.836  -4.593  -4.593
  256   2HB   GLU  37           HB1      GLU  37  47.357  -4.496  -4.496
  257   1HG   GLU  37           HG2      GLU  37  45.559  -3.122  -3.122
  258   2HG   GLU  37           HG1      GLU  37  45.092  -2.645  -2.645
  259    H    GLN  38           HN       GLN  38  45.717  -8.018  -8.018
  260    HA   GLN  38           HA       GLN  38  48.593  -8.415  -8.415
  261   1HB   GLN  38           HB2      GLN  38  47.598 -10.139 -10.139
  262   2HB   GLN  38           HB1      GLN  38  46.160 -10.165 -10.165
  263   1HG   GLN  38           HG2      GLN  38  47.693 -12.144 -12.144
  264   2HG   GLN  38           HG1      GLN  38  47.362 -11.241 -11.241
  265   1HE2  GLN  38          HE22      GLN  38  50.908  -9.992  -9.992
  266   2HE2  GLN  38          HE21      GLN  38  49.461  -9.808  -9.808
  267    H    PHE  39           HN       PHE  39  45.717  -9.011  -9.011
  268    HA   PHE  39           HA       PHE  39  47.351  -9.490  -9.490
  269   1HB   PHE  39           HB2      PHE  39  44.791  -9.404  -9.404
  270   2HB   PHE  39           HB1      PHE  39  45.602 -10.850 -10.850
  271    HD1  PHE  39           HD1      PHE  39  43.554  -7.971  -7.971
  272    HD2  PHE  39           HD2      PHE  39  44.667 -12.112 -12.112
  273    HE1  PHE  39           HE1      PHE  39  41.865  -8.276  -8.276
  274    HE2  PHE  39           HE2      PHE  39  42.967 -12.403 -12.403
  275    HZ   PHE  39           HZ       PHE  39  41.563 -10.485 -10.485
  276    H    GLY  40           HN       GLY  40  45.040  -7.050  -7.050
  277   1HA   GLY  40           HA2      GLY  40  45.833  -4.702  -4.702
  278   2HA   GLY  40           HA1      GLY  40  45.966  -5.345  -5.345
  279    H    MET  41           HN       MET  41  43.661  -4.566  -4.566
  280    HA   MET  41           HA       MET  41  41.694  -3.721  -3.721
  281   1HB   MET  41           HB2      MET  41  39.889  -5.187  -5.187
  282   2HB   MET  41           HB1      MET  41  41.144  -6.084  -6.084
  283   1HG   MET  41           HG2      MET  41  41.259  -7.330  -7.330
  284   2HG   MET  41           HG1      MET  41  42.157  -5.973  -5.973
  285   1HE   MET  41           HE2      MET  41  40.028  -8.397  -8.397
  286   2HE   MET  41           HE1      MET  41  40.250  -7.917  -7.917
  287   3HE   MET  41           HE3      MET  41  38.634  -7.930  -7.930
  288    H    TYR  42           HN       TYR  42  43.294  -2.804  -2.804
  289    HA   TYR  42           HA       TYR  42  41.336  -2.176  -2.176
  290   1HB   TYR  42           HB2      TYR  42  43.776  -2.678  -2.678
  291   2HB   TYR  42           HB1      TYR  42  44.164  -1.155  -1.155
  292    HD1  TYR  42           HD1      TYR  42  43.471   1.018   1.018
  293    HD2  TYR  42           HD2      TYR  42  42.949  -2.715  -2.715
  294    HE1  TYR  42           HE1      TYR  42  43.158   2.235   2.235
  295    HE2  TYR  42           HE2      TYR  42  42.635  -1.495  -1.495
  296    HH   TYR  42           HH       TYR  42  43.239   1.927   1.927
  297    H    SER  43           HN       SER  43  41.336  -1.113  -1.113
  298    HA   SER  43           HA       SER  43  41.291   1.785   1.785
  299   1HB   SER  43           HB2      SER  43  42.244   0.329   0.329
  300   2HB   SER  43           HB1      SER  43  40.849   1.252   1.252
  301    HG   SER  43           HG       SER  43  41.835   3.087   3.087
  302    H    GLU  44           HN       GLU  44  39.420   2.918   2.918
  303    HA   GLU  44           HA       GLU  44  36.880   1.841   1.841
  304   1HB   GLU  44           HB2      GLU  44  38.008   4.475   4.475
  305   2HB   GLU  44           HB1      GLU  44  36.421   4.237   4.237
  306   1HG   GLU  44           HG2      GLU  44  35.372   4.236   4.236
  307   2HG   GLU  44           HG1      GLU  44  36.632   3.260   3.260
  308    H    ASP  45           HN       ASP  45  38.158   3.290   3.290
  309    HA   ASP  45           HA       ASP  45  36.106   2.549   2.549
  310   1HB   ASP  45           HB2      ASP  45  38.042   3.897   3.897
  311   2HB   ASP  45           HB1      ASP  45  39.026   2.440   2.440
  312    H    ALA  46           HN       ALA  46  38.755   0.496   0.496
  313    HA   ALA  46           HA       ALA  46  38.267  -1.746  -1.746
  314   1HB   ALA  46           HB2      ALA  46  39.336  -1.656  -1.656
  315   2HB   ALA  46           HB1      ALA  46  39.431  -3.055  -3.055
  316   3HB   ALA  46           HB3      ALA  46  40.293  -1.574  -1.574
  317    H    ILE  47           HN       ILE  47  37.507  -1.759  -1.759
  318    HA   ILE  47           HA       ILE  47  35.528  -3.812  -3.812
  319    HB   ILE  47           HB       ILE  47  36.797  -3.225  -3.225
  320   1HG1  ILE  47          HG12      ILE  47  33.780  -3.140  -3.140
  321   2HG1  ILE  47          HG11      ILE  47  34.785  -4.586  -4.586
  322   1HG2  ILE  47          HG23      ILE  47  35.643  -0.668  -0.668
  323   2HG2  ILE  47          HG22      ILE  47  35.059  -1.246  -1.246
  324   3HG2  ILE  47          HG21      ILE  47  36.792  -1.117  -1.117
  325   1HD1  ILE  47          HD13      ILE  47  36.008  -3.416  -3.416
  326   2HD1  ILE  47          HD12      ILE  47  34.559  -2.418  -2.418
  327   3HD1  ILE  47          HD11      ILE  47  34.439  -4.158  -4.158
  328    H    ILE  48           HN       ILE  48  35.394  -0.568  -0.568
  329    HA   ILE  48           HA       ILE  48  32.568  -0.130  -0.130
  330    HB   ILE  48           HB       ILE  48  34.706   1.407   1.407
  331   1HG1  ILE  48          HG12      ILE  48  32.776   2.131   2.131
  332   2HG1  ILE  48          HG11      ILE  48  34.441   1.606   1.606
  333   1HG2  ILE  48          HG23      ILE  48  31.852   1.475   1.475
  334   2HG2  ILE  48          HG22      ILE  48  32.451   3.031   3.031
  335   3HG2  ILE  48          HG21      ILE  48  33.184   2.273   2.273
  336   1HD1  ILE  48          HD12      ILE  48  33.590   4.042   4.042
  337   2HD1  ILE  48          HD11      ILE  48  34.249   4.078   4.078
  338   3HD1  ILE  48          HD13      ILE  48  35.251   3.527   3.527
  339    H    TYR  49           HN       TYR  49  34.551  -1.136  -1.136
  340    HA   TYR  49           HA       TYR  49  32.171  -1.401  -1.401
  341   1HB   TYR  49           HB2      TYR  49  34.253  -0.577  -0.577
  342   2HB   TYR  49           HB1      TYR  49  35.097  -2.036  -2.036
  343    HD1  TYR  49           HD1      TYR  49  34.424  -4.268  -4.268
  344    HD2  TYR  49           HD2      TYR  49  32.797  -0.592  -0.592
  345    HE1  TYR  49           HE1      TYR  49  33.601  -5.459  -5.459
  346    HE2  TYR  49           HE2      TYR  49  31.976  -1.783  -1.783
  347    HH   TYR  49           HH       TYR  49  31.863  -3.717  -3.717
  348    H    GLN  50           HN       GLN  50  33.982  -3.193  -3.193
  349    HA   GLN  50           HA       GLN  50  33.250  -5.807  -5.807
  350   1HB   GLN  50           HB2      GLN  50  35.330  -6.089  -6.089
  351   2HB   GLN  50           HB1      GLN  50  35.094  -4.807  -4.807
  352   1HG   GLN  50           HG2      GLN  50  34.972  -6.512  -6.512
  353   2HG   GLN  50           HG1      GLN  50  33.330  -6.719  -6.719
  354   1HE2  GLN  50          HE22      GLN  50  34.673 -10.061 -10.061
  355   2HE2  GLN  50          HE21      GLN  50  33.982  -9.082  -9.082
  356    H    VAL  51           HN       VAL  51  32.051  -3.454  -3.454
  357    HA   VAL  51           HA       VAL  51  30.287  -5.372  -5.372
  358    HB   VAL  51           HB       VAL  51  30.681  -2.379  -2.379
  359   1HG1  VAL  51          HG12      VAL  51  28.738  -4.270  -4.270
  360   2HG1  VAL  51          HG11      VAL  51  29.250  -2.782  -2.782
  361   3HG1  VAL  51          HG13      VAL  51  28.413  -2.709  -2.709
  362   1HG2  VAL  51          HG22      VAL  51  32.383  -4.177  -4.177
  363   2HG2  VAL  51          HG21      VAL  51  31.903  -2.839  -2.839
  364   3HG2  VAL  51          HG23      VAL  51  31.165  -4.426  -4.426
  365    H    GLN  52           HN       GLN  52  30.074  -2.515  -2.515
  366    HA   GLN  52           HA       GLN  52  27.244  -2.406  -2.406
  367   1HB   GLN  52           HB2      GLN  52  29.532  -1.168  -1.168
  368   2HB   GLN  52           HB1      GLN  52  28.335  -1.537  -1.537
  369   1HG   GLN  52           HG2      GLN  52  26.742  -0.136  -0.136
  370   2HG   GLN  52           HG1      GLN  52  27.364  -0.340  -0.340
  371   1HE2  GLN  52          HE22      GLN  52  30.067   2.081   2.081
  372   2HE2  GLN  52          HE21      GLN  52  29.885   0.516   0.516
  373    H    HIS  53           HN       HIS  53  29.386  -4.747  -4.747
  374    HA   HIS  53           HA       HIS  53  27.238  -5.908  -5.908
  375   1HB   HIS  53           HB2      HIS  53  29.766  -5.964  -5.964
  376   2HB   HIS  53           HB1      HIS  53  28.165  -5.693  -5.693
  377    HD1  HIS  53           HD1      HIS  53  28.130  -3.461  -3.461
  378    HD2  HIS  53           HD2      HIS  53  30.401  -3.375  -3.375
  379    HE1  HIS  53           HE1      HIS  53  28.941  -1.076  -1.076
  380    H    GLY  54           HN       GLY  54  28.995  -6.346  -6.346
  381   1HA   GLY  54           HA2      GLY  54  30.154  -8.154  -8.154
  382   2HA   GLY  54           HA1      GLY  54  29.271  -9.134  -9.134
  383    H    LYS  55           HN       LYS  55  30.748 -10.325 -10.325
  384    HA   LYS  55           HA       LYS  55  32.364  -9.756  -9.756
  385   1HB   LYS  55           HB2      LYS  55  33.554  -8.631  -8.631
  386   2HB   LYS  55           HB1      LYS  55  34.632  -9.757  -9.757
  387   1HG   LYS  55           HG2      LYS  55  34.539  -7.170  -7.170
  388   2HG   LYS  55           HG1      LYS  55  34.876  -8.453  -8.453
  389   1HD   LYS  55           HD2      LYS  55  32.002  -7.945  -7.945
  390   2HD   LYS  55           HD1      LYS  55  32.890  -6.531  -6.531
  391   1HE   LYS  55           HE2      LYS  55  33.365  -7.471  -7.471
  392   2HE   LYS  55           HE1      LYS  55  33.674  -9.057  -9.057
  393   1HZ   LYS  55           HZ3      LYS  55  30.920  -8.159  -8.159
  394   2HZ   LYS  55           HZ2      LYS  55  31.524  -8.473  -8.473
  395   3HZ   LYS  55           HZ1      LYS  55  31.553  -9.690  -9.690
  396    H    ASN  56           HN       ASN  56  33.203 -11.613 -11.613
  397    HA   ASN  56           HA       ASN  56  33.657 -13.897 -13.897
  398   1HB   ASN  56           HB2      ASN  56  34.804 -13.243 -13.243
  399   2HB   ASN  56           HB1      ASN  56  35.072 -14.768 -14.768
  400   1HD2  ASN  56          HD22      ASN  56  36.738 -11.349 -11.349
  401   2HD2  ASN  56          HD21      ASN  56  35.301 -11.223 -11.223
  402    H    ALA  57           HN       ALA  57  33.267 -13.968 -13.968
  403    HA   ALA  57           HA       ALA  57  30.663 -15.383 -15.383
  404   1HB   ALA  57           HB2      ALA  57  33.068 -16.486 -16.486
  405   2HB   ALA  57           HB1      ALA  57  32.077 -16.229 -16.229
  406   3HB   ALA  57           HB3      ALA  57  31.462 -17.208 -17.208
  407    H    MET  58           HN       MET  58  30.423 -12.754 -12.754
  408    HA   MET  58           HA       MET  58  29.532 -12.687 -12.687
  409   1HB   MET  58           HB2      MET  58  31.583 -11.612 -11.612
  410   2HB   MET  58           HB1      MET  58  31.481 -10.765 -10.765
  411   1HG   MET  58           HG2      MET  58  29.470  -9.519  -9.519
  412   2HG   MET  58           HG1      MET  58  29.938 -10.216 -10.216
  413   1HE   MET  58           HE3      MET  58  30.051  -8.038  -8.038
  414   2HE   MET  58           HE2      MET  58  31.119  -6.697  -6.697
  415   3HE   MET  58           HE1      MET  58  29.745  -7.072  -7.072
  416    HA   PRO  59           HA       PRO  59  25.969 -10.976 -10.976
  417   1HB   PRO  59           HB2      PRO  59  24.799  -9.998  -9.998
  418   2HB   PRO  59           HB1      PRO  59  24.774 -11.699 -11.699
  419   1HG   PRO  59           HG2      PRO  59  26.378 -10.339 -10.339
  420   2HG   PRO  59           HG1      PRO  59  25.859 -12.026 -12.026
  421   1HD   PRO  59           HD2      PRO  59  28.431 -11.073 -11.073
  422   2HD   PRO  59           HD1      PRO  59  27.802 -12.662 -12.662
  423    H    ALA  60           HN       ALA  60  25.981  -9.151  -9.151
  424    HA   ALA  60           HA       ALA  60  27.160  -6.688  -6.688
  425   1HB   ALA  60           HB2      ALA  60  25.906  -7.382  -7.382
  426   2HB   ALA  60           HB1      ALA  60  24.396  -7.226  -7.226
  427   3HB   ALA  60           HB3      ALA  60  25.374  -5.797  -5.797
  428    H    PHE  61           HN       PHE  61  26.161  -4.575  -4.575
  429    HA   PHE  61           HA       PHE  61  24.002  -4.744  -4.744
  430   1HB   PHE  61           HB2      PHE  61  26.780  -3.782  -3.782
  431   2HB   PHE  61           HB1      PHE  61  25.399  -3.159  -3.159
  432    HD1  PHE  61           HD1      PHE  61  24.005  -4.654  -4.654
  433    HD2  PHE  61           HD2      PHE  61  27.503  -6.075  -6.075
  434    HE1  PHE  61           HE1      PHE  61  23.981  -6.707  -6.707
  435    HE2  PHE  61           HE2      PHE  61  27.481  -8.121  -8.121
  436    HZ   PHE  61           HZ       PHE  61  25.745  -8.423  -8.423
  437    H    ALA  62           HN       ALA  62  24.891  -3.499  -3.499
  438    HA   ALA  62           HA       ALA  62  24.954  -0.743  -0.743
  439   1HB   ALA  62           HB2      ALA  62  24.730  -2.418  -2.418
  440   2HB   ALA  62           HB1      ALA  62  23.003  -2.101  -2.101
  441   3HB   ALA  62           HB3      ALA  62  24.113  -0.775  -0.775
  442    H    GLY  63           HN       GLY  63  22.311  -2.833  -2.833
  443   1HA   GLY  63           HA2      GLY  63  20.914  -0.477  -0.477
  444   2HA   GLY  63           HA1      GLY  63  20.011  -1.420  -1.420
  445    H    ARG  64           HN       ARG  64  22.283  -2.723  -2.723
  446    HA   ARG  64           HA       ARG  64  20.033  -4.294  -4.294
  447   1HB   ARG  64           HB2      ARG  64  22.958  -4.722  -4.722
  448   2HB   ARG  64           HB1      ARG  64  22.231  -5.373  -5.373
  449   1HG   ARG  64           HG2      ARG  64  21.125  -5.879  -5.879
  450   2HG   ARG  64           HG1      ARG  64  22.248  -6.970  -6.970
  451   1HD   ARG  64           HD2      ARG  64  20.537  -6.778  -6.778
  452   2HD   ARG  64           HD1      ARG  64  19.417  -6.288  -6.288
  453    HE   ARG  64           HE       ARG  64  19.596  -8.494  -8.494
  454   1HH1  ARG  64          HH11      ARG  64  22.151  -8.000  -8.000
  455   2HH1  ARG  64          HH12      ARG  64  22.236  -9.653  -9.653
  456   1HH2  ARG  64          HH21      ARG  64  19.449 -10.630 -10.630
  457   2HH2  ARG  64          HH22      ARG  64  20.706 -11.143 -11.143
  458    H    LEU  65           HN       LEU  65  23.002  -2.534  -2.534
  459    HA   LEU  65           HA       LEU  65  22.101  -2.032  -2.032
  460   1HB   LEU  65           HB2      LEU  65  24.489  -0.699  -0.699
  461   2HB   LEU  65           HB1      LEU  65  24.254  -1.230  -1.230
  462    HG   LEU  65           HG       LEU  65  24.658  -3.030  -3.030
  463   1HD1  LEU  65          HD11      LEU  65  26.466  -1.730  -1.730
  464   2HD1  LEU  65          HD13      LEU  65  26.608  -3.484  -3.484
  465   3HD1  LEU  65          HD12      LEU  65  26.842  -2.667  -2.667
  466   1HD2  LEU  65          HD23      LEU  65  23.802  -3.494  -3.494
  467   2HD2  LEU  65          HD22      LEU  65  23.419  -4.417  -4.417
  468   3HD2  LEU  65          HD21      LEU  65  24.981  -4.625  -4.625
  469    H    THR  66           HN       THR  66  23.195   0.534   0.534
  470    HA   THR  66           HA       THR  66  21.059   2.124   2.124
  471    HB   THR  66           HB       THR  66  22.918   3.073   3.073
  472    HG1  THR  66           HG1      THR  66  20.718   1.346   1.346
  473   1HG2  THR  66          HG23      THR  66  20.566   4.048   4.048
  474   2HG2  THR  66          HG22      THR  66  20.357   4.073   4.073
  475   3HG2  THR  66          HG21      THR  66  21.711   4.927   4.927
  476    H    ASP  67           HN       ASP  67  22.022   4.582   4.582
  477    HA   ASP  67           HA       ASP  67  24.059   4.291   4.291
  478   1HB   ASP  67           HB2      ASP  67  22.828   6.799   6.799
  479   2HB   ASP  67           HB1      ASP  67  23.800   6.725   6.725
  480    H    GLU  68           HN       GLU  68  23.882   6.252   6.252
  481    HA   GLU  68           HA       GLU  68  26.697   6.828   6.828
  482   1HB   GLU  68           HB2      GLU  68  25.033   8.177   8.177
  483   2HB   GLU  68           HB1      GLU  68  24.570   6.773   6.773
  484   1HG   GLU  68           HG2      GLU  68  26.497   6.852   6.852
  485   2HG   GLU  68           HG1      GLU  68  27.456   7.555   7.555
  486    H    GLN  69           HN       GLN  69  25.023   3.987   3.987
  487    HA   GLN  69           HA       GLN  69  26.847   2.815   2.815
  488   1HB   GLN  69           HB2      GLN  69  24.311   1.990   1.990
  489   2HB   GLN  69           HB1      GLN  69  25.259   0.798   0.798
  490   1HG   GLN  69           HG2      GLN  69  23.373   1.865   1.865
  491   2HG   GLN  69           HG1      GLN  69  24.957   2.048   2.048
  492   1HE2  GLN  69          HE22      GLN  69  25.198   5.497   5.497
  493   2HE2  GLN  69          HE21      GLN  69  26.120   4.103   4.103
  494    H    ILE  70           HN       ILE  70  25.942   2.650   2.650
  495    HA   ILE  70           HA       ILE  70  27.644   0.390   0.390
  496    HB   ILE  70           HB       ILE  70  26.330   2.600   2.600
  497   1HG1  ILE  70          HG12      ILE  70  24.952   0.695   0.695
  498   2HG1  ILE  70          HG11      ILE  70  25.229   0.631   0.631
  499   1HG2  ILE  70          HG23      ILE  70  28.555   0.781   0.781
  500   2HG2  ILE  70          HG22      ILE  70  27.262   1.107   1.107
  501   3HG2  ILE  70          HG21      ILE  70  28.215   2.438   2.438
  502   1HD1  ILE  70          HD11      ILE  70  27.405  -0.735  -0.735
  503   2HD1  ILE  70          HD13      ILE  70  26.035  -1.254  -1.254
  504   3HD1  ILE  70          HD12      ILE  70  25.998  -1.469  -1.469
  505    H    GLN  71           HN       GLN  71  28.100   3.608   3.608
  506    HA   GLN  71           HA       GLN  71  30.745   3.919   3.919
  507   1HB   GLN  71           HB2      GLN  71  28.614   5.592   5.592
  508   2HB   GLN  71           HB1      GLN  71  30.260   6.146   6.146
  509   1HG   GLN  71           HG2      GLN  71  29.208   7.076   7.076
  510   2HG   GLN  71           HG1      GLN  71  30.698   6.185   6.185
  511   1HE2  GLN  71          HE22      GLN  71  27.206   4.858   4.858
  512   2HE2  GLN  71          HE21      GLN  71  27.283   6.295   6.295
  513    H    ASP  72           HN       ASP  72  29.386   4.799   4.799
  514    HA   ASP  72           HA       ASP  72  31.588   4.794   4.794
  515   1HB   ASP  72           HB2      ASP  72  28.687   4.155   4.155
  516   2HB   ASP  72           HB1      ASP  72  29.815   4.090   4.090
  517    H    VAL  73           HN       VAL  73  29.578   2.021   2.021
  518    HA   VAL  73           HA       VAL  73  30.791   0.114   0.114
  519    HB   VAL  73           HB       VAL  73  28.591  -0.086  -0.086
  520   1HG1  VAL  73          HG13      VAL  73  29.748   0.359   0.359
  521   2HG1  VAL  73          HG12      VAL  73  30.507  -1.226  -1.226
  522   3HG1  VAL  73          HG11      VAL  73  28.753  -1.098  -1.098
  523   1HG2  VAL  73          HG23      VAL  73  30.626  -2.294  -2.294
  524   2HG2  VAL  73          HG22      VAL  73  29.278  -1.910  -1.910
  525   3HG2  VAL  73          HG21      VAL  73  28.969  -2.603  -2.603
  526    H    ALA  74           HN       ALA  74  31.588   1.181   1.181
  527    HA   ALA  74           HA       ALA  74  33.615  -0.840  -0.840
  528   1HB   ALA  74           HB3      ALA  74  32.471   1.048   1.048
  529   2HB   ALA  74           HB2      ALA  74  34.038   1.786   1.786
  530   3HB   ALA  74           HB1      ALA  74  33.953   0.179   0.179
  531    H    ALA  75           HN       ALA  75  33.847   2.645   2.645
  532    HA   ALA  75           HA       ALA  75  36.567   2.631   2.631
  533   1HB   ALA  75           HB1      ALA  75  34.221   4.423   4.423
  534   2HB   ALA  75           HB3      ALA  75  35.367   4.571   4.571
  535   3HB   ALA  75           HB2      ALA  75  35.911   4.825   4.825
  536    H    TYR  76           HN       TYR  76  33.629   1.486   1.486
  537    HA   TYR  76           HA       TYR  76  34.260   1.553   1.553
  538   1HB   TYR  76           HB2      TYR  76  31.938   1.106   1.106
  539   2HB   TYR  76           HB1      TYR  76  32.506  -0.359  -0.359
  540    HD1  TYR  76           HD1      TYR  76  32.173   1.243   1.243
  541    HD2  TYR  76           HD2      TYR  76  32.779  -2.342  -2.342
  542    HE1  TYR  76           HE1      TYR  76  31.866  -0.007  -0.007
  543    HE2  TYR  76           HE2      TYR  76  32.481  -3.653  -3.653
  544    HH   TYR  76           HH       TYR  76  31.058  -2.676  -2.676
  545    H    VAL  77           HN       VAL  77  34.824  -0.858  -0.858
  546    HA   VAL  77           HA       VAL  77  36.001  -2.748  -2.748
  547    HB   VAL  77           HB       VAL  77  36.146  -2.435  -2.435
  548   1HG1  VAL  77          HG12      VAL  77  37.469  -4.433  -4.433
  549   2HG1  VAL  77          HG11      VAL  77  37.089  -4.833  -4.833
  550   3HG1  VAL  77          HG13      VAL  77  38.195  -3.508  -3.508
  551   1HG2  VAL  77          HG23      VAL  77  34.563  -4.071  -4.071
  552   2HG2  VAL  77          HG22      VAL  77  34.027  -3.255  -3.255
  553   3HG2  VAL  77          HG21      VAL  77  34.933  -4.765  -4.765
  554    H    LEU  78           HN       LEU  78  37.097   0.053   0.053
  555    HA   LEU  78           HA       LEU  78  39.944  -0.567  -0.567
  556   1HB   LEU  78           HB2      LEU  78  39.086   2.200   2.200
  557   2HB   LEU  78           HB1      LEU  78  40.395   1.231   1.231
  558    HG   LEU  78           HG       LEU  78  37.440   1.044   1.044
  559   1HD1  LEU  78          HD12      LEU  78  39.919   1.928   1.928
  560   2HD1  LEU  78          HD11      LEU  78  38.716   1.076   1.076
  561   3HD1  LEU  78          HD13      LEU  78  38.276   2.559   2.559
  562   1HD2  LEU  78          HD22      LEU  78  39.416  -1.063  -1.063
  563   2HD2  LEU  78          HD21      LEU  78  37.700  -1.161  -1.161
  564   3HD2  LEU  78          HD23      LEU  78  38.876  -0.779  -0.779
  565    H    ASP  79           HN       ASP  79  37.425   0.632   0.632
  566    HA   ASP  79           HA       ASP  79  39.162   2.363   2.363
  567   1HB   ASP  79           HB2      ASP  79  36.636   2.747   2.747
  568   2HB   ASP  79           HB1      ASP  79  36.325   1.791   1.791
  569    H    GLN  80           HN       GLN  80  37.122  -0.482  -0.482
  570    HA   GLN  80           HA       GLN  80  37.627  -1.106  -1.106
  571   1HB   GLN  80           HB2      GLN  80  36.792  -2.945  -2.945
  572   2HB   GLN  80           HB1      GLN  80  36.480  -3.158  -3.158
  573   1HG   GLN  80           HG2      GLN  80  35.544  -0.624  -0.624
  574   2HG   GLN  80           HG1      GLN  80  34.673  -2.101  -2.101
  575   1HE2  GLN  80          HE22      GLN  80  33.719  -0.387  -0.387
  576   2HE2  GLN  80          HE21      GLN  80  34.384   0.396   0.396
  577    H    ALA  81           HN       ALA  81  39.133  -2.059  -2.059
  578    HA   ALA  81           HA       ALA  81  40.736  -4.183  -4.183
  579   1HB   ALA  81           HB1      ALA  81  41.253  -2.187  -2.187
  580   2HB   ALA  81           HB3      ALA  81  42.251  -3.608  -3.608
  581   3HB   ALA  81           HB2      ALA  81  40.562  -3.802  -3.802
  582    H    ALA  82           HN       ALA  82  41.484  -0.727  -0.727
  583    HA   ALA  82           HA       ALA  82  43.917  -1.020  -1.020
  584   1HB   ALA  82           HB3      ALA  82  42.641   1.206   1.206
  585   2HB   ALA  82           HB2      ALA  82  43.921   1.562   1.562
  586   3HB   ALA  82           HB1      ALA  82  44.239   0.488   0.488
  587    H    LYS  83           HN       LYS  83  40.957  -1.176  -1.176
  588    HA   LYS  83           HA       LYS  83  41.466   0.660   0.660
  589   1HB   LYS  83           HB2      LYS  83  39.766   1.706   1.706
  590   2HB   LYS  83           HB1      LYS  83  38.822   0.216   0.216
  591   1HG   LYS  83           HG2      LYS  83  38.160   0.472   0.472
  592   2HG   LYS  83           HG1      LYS  83  39.570   1.446   1.446
  593   1HD   LYS  83           HD2      LYS  83  38.480   3.115   3.115
  594   2HD   LYS  83           HD1      LYS  83  37.007   2.272   2.272
  595   1HE   LYS  83           HE2      LYS  83  38.964   3.575   3.575
  596   2HE   LYS  83           HE1      LYS  83  37.435   4.284   4.284
  597   1HZ   LYS  83           HZ1      LYS  83  37.203   1.585   1.585
  598   2HZ   LYS  83           HZ3      LYS  83  37.756   2.680   2.680
  599   3HZ   LYS  83           HZ2      LYS  83  36.280   2.960   2.960
  600    H    GLY  84           HN       GLY  84  41.469  -2.442  -2.442
  601   1HA   GLY  84           HA2      GLY  84  41.323  -4.225  -4.225
  602   2HA   GLY  84           HA1      GLY  84  40.566  -3.118  -3.118
  603    H    TRP  85           HN       TRP  85  39.953  -4.776  -4.776
  604    HA   TRP  85           HA       TRP  85  37.259  -4.514  -4.514
  605   1HB   TRP  85           HB2      TRP  85  39.162  -6.748  -6.748
  606   2HB   TRP  85           HB1      TRP  85  37.473  -7.230  -7.230
  607    HD1  TRP  85           HD1      TRP  85  39.986  -6.256  -6.256
  608    HE1  TRP  85           HE1      TRP  85  38.928  -5.326  -5.326
  609    HE3  TRP  85           HE3      TRP  85  35.260  -5.447  -5.447
  610    HZ2  TRP  85           HZ2      TRP  85  36.400  -4.390  -4.390
  611    HZ3  TRP  85           HZ3      TRP  85  33.540  -4.523  -4.523
  612    HH2  TRP  85           HH2      TRP  85  34.088  -3.966  -3.966
  613    H    ALA  86           HN       ALA  86  36.285  -4.092  -4.092
  614    HA   ALA  86           HA       ALA  86  35.222  -4.692  -4.692
  615   1HB   ALA  86           HB1      ALA  86  33.846  -5.702  -5.702
  616   2HB   ALA  86           HB3      ALA  86  34.522  -7.247  -7.247
  617   3HB   ALA  86           HB2      ALA  86  33.531  -6.301  -6.301
  618    H    GLY  87           HN       GLY  87  38.036  -5.633  -5.633
  619   1HA   GLY  87           HA2      GLY  87  38.448  -8.250  -8.250
  620   2HA   GLY  87           HA1      GLY  87  39.563  -6.917  -6.917
  621    HHA  HEC  88           HA       HEM  88  36.320 -10.540 -10.540
  622    HHB  HEC  88           HB       HEM  88  33.837  -5.832  -5.832
  623    HHC  HEC  88           HC       HEM  88  28.304  -8.986  -8.986
  624    HHD  HEC  88           HD       HEM  88  31.073 -13.930 -13.930
  625   1HMA  HEC  88          HMA1      HEM  88  36.505  -5.222  -5.222
  626   2HMA  HEC  88          HMA2      HEM  88  37.450  -6.235  -6.235
  627   3HMA  HEC  88          HMA3      HEM  88  35.873  -5.513  -5.513
  628   1HAA  HEC  88          HAA1      HEM  88  38.038  -9.162  -9.162
  629   2HAA  HEC  88          HAA2      HEM  88  38.178  -7.385  -7.385
  630   1HBA  HEC  88          HBA1      HEM  88  36.772  -8.724  -8.724
  631   2HBA  HEC  88          HBA2      HEM  88  36.937  -6.944  -6.944
  632   1HMB  HEC  88          HMB1      HEM  88  32.531  -4.612  -4.612
  633   2HMB  HEC  88          HMB2      HEM  88  30.773  -4.289  -4.289
  634   3HMB  HEC  88          HMB3      HEM  88  31.719  -5.234  -5.234
  635    HAB  HEC  88           HAB      HEM  88  28.655  -5.469  -5.469
  636   1HBB  HEC  88          HBB1      HEM  88  26.574  -6.429  -6.429
  637   2HBB  HEC  88          HBB2      HEM  88  27.497  -7.510  -7.510
  638   3HBB  HEC  88          HBB3      HEM  88  27.420  -7.866  -7.866
  639   1HMC  HEC  88          HMC1      HEM  88  26.450 -11.680 -11.680
  640   2HMC  HEC  88          HMC2      HEM  88  27.070 -11.971 -11.971
  641   3HMC  HEC  88          HMC3      HEM  88  26.955 -10.280 -10.280
  642    HAC  HEC  88           HAC      HEM  88  27.759 -13.931 -13.931
  643   1HBC  HEC  88          HBC1      HEM  88  29.344 -14.207 -14.207
  644   2HBC  HEC  88          HBC2      HEM  88  29.618 -15.659 -15.659
  645   3HBC  HEC  88          HBC3      HEM  88  27.942 -15.204 -15.204
  646   1HMD  HEC  88          HMD1      HEM  88  32.372 -15.180 -15.180
  647   2HMD  HEC  88          HMD2      HEM  88  33.198 -14.883 -14.883
  648   3HMD  HEC  88          HMD3      HEM  88  34.154 -15.452 -15.452
  649   1HAD  HEC  88          HAD1      HEM  88  36.027 -14.109 -14.109
  650   2HAD  HEC  88          HAD2      HEM  88  36.700 -12.446 -12.446
  651   1HBD  HEC  88          HBD1      HEM  88  35.606 -13.662 -13.662
  652   2HBD  HEC  88          HBD2      HEM  88  34.464 -12.351 -12.351

  Start of MODEL   17
    1   1H    ALA   1           HT2      ALA   1  33.858  10.398  10.398
    2   2H    ALA   1           HT1      ALA   1  35.024  11.263  11.263
    3   3H    ALA   1           HT3      ALA   1  34.885   9.584   9.584
    4    HA   ALA   1           HA       ALA   1  33.718  10.184  10.184
    5   1HB   ALA   1           HB2      ALA   1  33.960  12.720  12.720
    6   2HB   ALA   1           HB1      ALA   1  32.235  12.501  12.501
    7   3HB   ALA   1           HB3      ALA   1  33.385  12.371  12.371
    8    H    ASP   2           HN       ASP   2  31.408   9.987   9.987
    9    HA   ASP   2           HA       ASP   2  29.172   9.407   9.407
   10   1HB   ASP   2           HB2      ASP   2  29.715   9.550   9.550
   11   2HB   ASP   2           HB1      ASP   2  28.185   9.751   9.751
   12    H    LEU   3           HN       LEU   3  31.915   7.753   7.753
   13    HA   LEU   3           HA       LEU   3  30.792   5.486   5.486
   14   1HB   LEU   3           HB2      LEU   3  32.875   4.416   4.416
   15   2HB   LEU   3           HB1      LEU   3  33.289   6.132   6.132
   16    HG   LEU   3           HG       LEU   3  32.930   5.981   5.981
   17   1HD1  LEU   3          HD11      LEU   3  32.746   3.288   3.288
   18   2HD1  LEU   3          HD13      LEU   3  34.283   3.445   3.445
   19   3HD1  LEU   3          HD12      LEU   3  32.771   3.873   3.873
   20   1HD2  LEU   3          HD22      LEU   3  35.259   5.506   5.506
   21   2HD2  LEU   3          HD21      LEU   3  35.036   6.723   6.723
   22   3HD2  LEU   3          HD23      LEU   3  35.485   5.074   5.074
   23    H    ALA   4           HN       ALA   4  29.986   6.582   6.582
   24    HA   ALA   4           HA       ALA   4  30.036   4.139   4.139
   25   1HB   ALA   4           HB2      ALA   4  29.084   6.877   6.877
   26   2HB   ALA   4           HB1      ALA   4  27.917   5.698   5.698
   27   3HB   ALA   4           HB3      ALA   4  29.567   5.701   5.701
   28    H    ASN   5           HN       ASN   5  28.151   5.530   5.530
   29    HA   ASN   5           HA       ASN   5  25.759   3.943   3.943
   30   1HB   ASN   5           HB2      ASN   5  26.653   5.976   5.976
   31   2HB   ASN   5           HB1      ASN   5  25.983   4.660   4.660
   32   1HD2  ASN   5          HD22      ASN   5  22.997   6.610   6.610
   33   2HD2  ASN   5          HD21      ASN   5  24.289   6.541   6.541
   34    H    GLY   6           HN       GLY   6  28.851   3.133   3.133
   35   1HA   GLY   6           HA2      GLY   6  28.234   1.127   1.127
   36   2HA   GLY   6           HA1      GLY   6  29.826   1.448   1.448
   37    H    ALA   7           HN       ALA   7  29.308   1.243   1.243
   38    HA   ALA   7           HA       ALA   7  29.351  -1.527  -1.527
   39   1HB   ALA   7           HB3      ALA   7  29.563   0.855   0.855
   40   2HB   ALA   7           HB2      ALA   7  28.202  -0.016  -0.016
   41   3HB   ALA   7           HB1      ALA   7  29.783  -0.792  -0.792
   42    H    LYS   8           HN       LYS   8  26.689   0.816   0.816
   43    HA   LYS   8           HA       LYS   8  24.702  -0.883  -0.883
   44   1HB   LYS   8           HB2      LYS   8  23.200   0.552   0.552
   45   2HB   LYS   8           HB1      LYS   8  23.868   1.270   1.270
   46   1HG   LYS   8           HG2      LYS   8  25.440   2.478   2.478
   47   2HG   LYS   8           HG1      LYS   8  25.601   1.265   1.265
   48   1HD   LYS   8           HD2      LYS   8  23.249   3.168   3.168
   49   2HD   LYS   8           HD1      LYS   8  24.513   3.305   3.305
   50   1HE   LYS   8           HE2      LYS   8  23.497   1.925   1.925
   51   2HE   LYS   8           HE1      LYS   8  23.471   0.676   0.676
   52   1HZ   LYS   8           HZ1      LYS   8  21.565   2.720   2.720
   53   2HZ   LYS   8           HZ3      LYS   8  21.298   2.037   2.037
   54   3HZ   LYS   8           HZ2      LYS   8  21.324   1.045   1.045
   55    H    VAL   9           HN       VAL   9  26.049  -0.614  -0.614
   56    HA   VAL   9           HA       VAL   9  24.136  -2.638  -2.638
   57    HB   VAL   9           HB       VAL   9  26.297  -1.079  -1.079
   58   1HG1  VAL   9          HG12      VAL   9  24.297  -3.153  -3.153
   59   2HG1  VAL   9          HG11      VAL   9  24.617  -1.823  -1.823
   60   3HG1  VAL   9          HG13      VAL   9  25.933  -2.878  -2.878
   61   1HG2  VAL   9          HG23      VAL   9  23.499  -0.560  -0.560
   62   2HG2  VAL   9          HG22      VAL   9  24.787   0.584   0.584
   63   3HG2  VAL   9          HG21      VAL   9  23.867  -0.221  -0.221
   64    H    PHE  10           HN       PHE  10  27.392  -2.535  -2.535
   65    HA   PHE  10           HA       PHE  10  28.115  -4.916  -4.916
   66   1HB   PHE  10           HB2      PHE  10  29.910  -3.375  -3.375
   67   2HB   PHE  10           HB1      PHE  10  29.550  -3.514  -3.514
   68    HD1  PHE  10           HD1      PHE  10  29.645  -5.832  -5.832
   69    HD2  PHE  10           HD2      PHE  10  31.405  -4.945  -4.945
   70    HE1  PHE  10           HE1      PHE  10  31.036  -7.852  -7.852
   71    HE2  PHE  10           HE2      PHE  10  32.794  -6.987  -6.987
   72    HZ   PHE  10           HZ       PHE  10  32.616  -8.442  -8.442
   73    H    SER  11           HN       SER  11  26.799  -4.175  -4.175
   74    HA   SER  11           HA       SER  11  27.220  -6.912  -6.912
   75   1HB   SER  11           HB2      SER  11  26.545  -6.114  -6.114
   76   2HB   SER  11           HB1      SER  11  27.078  -4.599  -4.599
   77    HG   SER  11           HG       SER  11  24.892  -4.292  -4.292
   78    H    GLY  12           HN       GLY  12  25.346  -6.005  -6.005
   79   1HA   GLY  12           HA2      GLY  12  23.192  -7.837  -7.837
   80   2HA   GLY  12           HA1      GLY  12  22.720  -6.236  -6.236
   81    H    ASN  13           HN       ASN  13  25.497  -7.083  -7.083
   82    HA   ASN  13           HA       ASN  13  24.048  -8.606  -8.606
   83   1HB   ASN  13           HB2      ASN  13  25.609  -6.078  -6.078
   84   2HB   ASN  13           HB1      ASN  13  24.671  -7.053  -7.053
   85   1HD2  ASN  13          HD22      ASN  13  22.597  -4.751  -4.751
   86   2HD2  ASN  13          HD21      ASN  13  24.119  -5.368  -5.368
   87    H    CYS  14           HN       CYS  14  27.133  -7.035  -7.035
   88    HA   CYS  14           HA       CYS  14  28.694  -8.968  -8.968
   89   1HB   CYS  14           HB2      CYS  14  29.883  -7.287  -7.287
   90   2HB   CYS  14           HB1      CYS  14  30.553  -7.703  -7.703
   91    H    ALA  15           HN       ALA  15  27.650  -8.563  -8.563
   92    HA   ALA  15           HA       ALA  15  29.321 -10.259 -10.259
   93   1HB   ALA  15           HB2      ALA  15  27.370  -9.022  -9.022
   94   2HB   ALA  15           HB1      ALA  15  26.308 -10.245 -10.245
   95   3HB   ALA  15           HB3      ALA  15  27.462 -10.695 -10.695
   96    H    ALA  16           HN       ALA  16  26.652 -11.196 -11.196
   97    HA   ALA  16           HA       ALA  16  26.643 -13.975 -13.975
   98   1HB   ALA  16           HB1      ALA  16  25.098 -12.558 -12.558
   99   2HB   ALA  16           HB3      ALA  16  26.314 -12.825 -12.825
  100   3HB   ALA  16           HB2      ALA  16  25.479 -14.200 -14.200
  101    H    CYS  17           HN       CYS  17  28.623 -12.136 -12.136
  102    HA   CYS  17           HA       CYS  17  30.337 -14.558 -14.558
  103   1HB   CYS  17           HB2      CYS  17  29.938 -12.302 -12.302
  104   2HB   CYS  17           HB1      CYS  17  30.993 -13.683 -13.683
  105    H    HIS  18           HN       HIS  18  30.499 -12.375 -12.375
  106    HA   HIS  18           HA       HIS  18  33.371 -11.912 -11.912
  107   1HB   HIS  18           HB2      HIS  18  31.364  -9.639  -9.639
  108   2HB   HIS  18           HB1      HIS  18  33.068  -9.407  -9.407
  109    HD1  HIS  18           HD1      HIS  18  34.815 -10.144 -10.144
  110    HD2  HIS  18           HD2      HIS  18  30.907  -9.981  -9.981
  111    HE1  HIS  18           HE1      HIS  18  34.946 -10.314 -10.314
  112    H    MET  19           HN       MET  19  30.900 -10.066 -10.066
  113    HA   MET  19           HA       MET  19  30.555  -9.704  -9.704
  114   1HB   MET  19           HB2      MET  19  30.488 -12.451 -12.451
  115   2HB   MET  19           HB1      MET  19  31.477 -12.240 -12.240
  116   1HG   MET  19           HG2      MET  19  29.107 -10.520 -10.520
  117   2HG   MET  19           HG1      MET  19  28.708 -12.241 -12.241
  118   1HE   MET  19           HE2      MET  19  27.509 -12.003 -12.003
  119   2HE   MET  19           HE1      MET  19  28.198 -13.033 -13.033
  120   3HE   MET  19           HE3      MET  19  27.901 -11.319 -11.319
  121    H    GLY  20           HN       GLY  20  31.788  -8.595  -8.595
  122   1HA   GLY  20           HA2      GLY  20  33.770  -7.743  -7.743
  123   2HA   GLY  20           HA1      GLY  20  34.053  -9.439  -9.439
  124    H    GLY  21           HN       GLY  21  33.975  -7.816  -7.816
  125   1HA   GLY  21           HA2      GLY  21  35.510  -7.916  -7.916
  126   2HA   GLY  21           HA1      GLY  21  36.691  -7.549  -7.549
  127    H    GLY  22           HN       GLY  22  34.810 -10.338 -10.338
  128   1HA   GLY  22           HA2      GLY  22  37.294 -11.923 -11.923
  129   2HA   GLY  22           HA1      GLY  22  36.023 -12.498 -12.498
  130    H    ASN  23           HN       ASN  23  36.869 -11.955 -11.955
  131    HA   ASN  23           HA       ASN  23  34.446 -12.742 -12.742
  132   1HB   ASN  23           HB2      ASN  23  36.871 -12.053 -12.053
  133   2HB   ASN  23           HB1      ASN  23  36.914 -13.796 -13.796
  134   1HD2  ASN  23          HD22      ASN  23  35.195 -11.987 -11.987
  135   2HD2  ASN  23          HD21      ASN  23  36.691 -11.735 -11.735
  136    H    VAL  24           HN       VAL  24  33.925 -14.895 -14.895
  137    HA   VAL  24           HA       VAL  24  35.156 -17.178 -17.178
  138    HB   VAL  24           HB       VAL  24  32.839 -18.154 -18.154
  139   1HG1  VAL  24          HG12      VAL  24  33.897 -15.763 -15.763
  140   2HG1  VAL  24          HG11      VAL  24  32.237 -16.236 -16.236
  141   3HG1  VAL  24          HG13      VAL  24  33.554 -17.379 -17.379
  142   1HG2  VAL  24          HG21      VAL  24  32.174 -15.428 -15.428
  143   2HG2  VAL  24          HG23      VAL  24  31.464 -16.988 -16.988
  144   3HG2  VAL  24          HG22      VAL  24  31.067 -16.219 -16.219
  145    H    VAL  25           HN       VAL  25  32.781 -16.365 -16.365
  146    HA   VAL  25           HA       VAL  25  32.812 -18.752 -18.752
  147    HB   VAL  25           HB       VAL  25  32.815 -15.902 -15.902
  148   1HG1  VAL  25          HG12      VAL  25  33.685 -17.476 -17.476
  149   2HG1  VAL  25          HG11      VAL  25  32.228 -18.453 -18.453
  150   3HG1  VAL  25          HG13      VAL  25  32.111 -16.810 -16.810
  151   1HG2  VAL  25          HG21      VAL  25  30.880 -16.655 -16.655
  152   2HG2  VAL  25          HG23      VAL  25  30.418 -16.331 -16.331
  153   3HG2  VAL  25          HG22      VAL  25  30.630 -17.993 -17.993
  154    H    MET  26           HN       MET  26  35.014 -16.014 -16.014
  155    HA   MET  26           HA       MET  26  36.767 -17.397 -17.397
  156   1HB   MET  26           HB2      MET  26  38.508 -15.723 -15.723
  157   2HB   MET  26           HB1      MET  26  37.007 -15.019 -15.019
  158   1HG   MET  26           HG2      MET  26  37.328 -13.853 -13.853
  159   2HG   MET  26           HG1      MET  26  36.235 -15.143 -15.143
  160   1HE   MET  26           HE1      MET  26  36.338 -16.457 -16.457
  161   2HE   MET  26           HE3      MET  26  37.688 -17.392 -17.392
  162   3HE   MET  26           HE2      MET  26  37.213 -15.873 -15.873
  163    H    ALA  27           HN       ALA  27  39.313 -17.482 -17.482
  164    HA   ALA  27           HA       ALA  27  39.095 -19.309 -19.309
  165   1HB   ALA  27           HB3      ALA  27  39.775 -20.036 -20.036
  166   2HB   ALA  27           HB2      ALA  27  41.278 -20.070 -20.070
  167   3HB   ALA  27           HB1      ALA  27  39.898 -21.033 -21.033
  168    H    ASN  28           HN       ASN  28  40.382 -16.473 -16.473
  169    HA   ASN  28           HA       ASN  28  42.387 -16.502 -16.502
  170   1HB   ASN  28           HB2      ASN  28  44.311 -16.111 -16.111
  171   2HB   ASN  28           HB1      ASN  28  43.477 -17.443 -17.443
  172   1HD2  ASN  28          HD22      ASN  28  42.160 -15.078 -15.078
  173   2HD2  ASN  28          HD21      ASN  28  41.484 -16.184 -16.184
  174    H    LYS  29           HN       LYS  29  40.675 -14.745 -14.745
  175    HA   LYS  29           HA       LYS  29  41.647 -12.142 -12.142
  176   1HB   LYS  29           HB2      LYS  29  39.057 -12.518 -12.518
  177   2HB   LYS  29           HB1      LYS  29  40.290 -11.277 -11.277
  178   1HG   LYS  29           HG2      LYS  29  41.800 -13.318 -13.318
  179   2HG   LYS  29           HG1      LYS  29  40.250 -14.106 -14.106
  180   1HD   LYS  29           HD2      LYS  29  39.611 -12.054 -12.054
  181   2HD   LYS  29           HD1      LYS  29  41.298 -11.554 -11.554
  182   1HE   LYS  29           HE2      LYS  29  41.600 -14.144 -14.144
  183   2HE   LYS  29           HE1      LYS  29  40.083 -13.736 -13.736
  184   1HZ   LYS  29           HZ2      LYS  29  41.374 -11.601 -11.601
  185   2HZ   LYS  29           HZ1      LYS  29  42.750 -12.551 -12.551
  186   3HZ   LYS  29           HZ3      LYS  29  41.627 -13.039 -13.039
  187    H    THR  30           HN       THR  30  41.180 -11.685 -11.685
  188    HA   THR  30           HA       THR  30  38.410 -12.179 -12.179
  189    HB   THR  30           HB       THR  30  40.436 -12.772 -12.772
  190    HG1  THR  30           HG1      THR  30  39.051 -12.598 -12.598
  191   1HG2  THR  30          HG22      THR  30  40.745  -9.823  -9.823
  192   2HG2  THR  30          HG21      THR  30  41.105 -10.571 -10.571
  193   3HG2  THR  30          HG23      THR  30  41.975 -11.074 -11.074
  194    H    LEU  31           HN       LEU  31  38.703  -9.787  -9.787
  195    HA   LEU  31           HA       LEU  31  38.184  -7.670  -7.670
  196   1HB   LEU  31           HB2      LEU  31  36.691  -8.420  -8.420
  197   2HB   LEU  31           HB1      LEU  31  36.878  -6.699  -6.699
  198    HG   LEU  31           HG       LEU  31  34.929  -8.412  -8.412
  199   1HD1  LEU  31          HD11      LEU  31  35.184  -5.800  -5.800
  200   2HD1  LEU  31          HD13      LEU  31  35.598  -5.843  -5.843
  201   3HD1  LEU  31          HD12      LEU  31  34.035  -6.457  -6.457
  202   1HD2  LEU  31          HD22      LEU  31  36.646  -9.206  -9.206
  203   2HD2  LEU  31          HD21      LEU  31  35.285  -8.371  -8.371
  204   3HD2  LEU  31          HD23      LEU  31  36.818  -7.540  -7.540
  205    H    LYS  32           HN       LYS  32  40.135  -8.613  -8.613
  206    HA   LYS  32           HA       LYS  32  40.683  -6.232  -6.232
  207   1HB   LYS  32           HB2      LYS  32  42.277  -8.649  -8.649
  208   2HB   LYS  32           HB1      LYS  32  43.195  -7.227  -7.227
  209   1HG   LYS  32           HG2      LYS  32  42.445  -7.340  -7.340
  210   2HG   LYS  32           HG1      LYS  32  40.832  -7.863  -7.863
  211   1HD   LYS  32           HD2      LYS  32  42.101  -9.635  -9.635
  212   2HD   LYS  32           HD1      LYS  32  41.636 -10.129 -10.129
  213   1HE   LYS  32           HE2      LYS  32  44.051  -9.005  -9.005
  214   2HE   LYS  32           HE1      LYS  32  44.331  -9.588  -9.588
  215   1HZ   LYS  32           HZ2      LYS  32  43.082 -11.679 -11.679
  216   2HZ   LYS  32           HZ1      LYS  32  43.920 -11.077 -11.077
  217   3HZ   LYS  32           HZ3      LYS  32  44.772 -11.507 -11.507
  218    H    LYS  33           HN       LYS  33  43.150  -7.246  -7.246
  219    HA   LYS  33           HA       LYS  33  42.841  -5.400  -5.400
  220   1HB   LYS  33           HB2      LYS  33  44.482  -3.574  -3.574
  221   2HB   LYS  33           HB1      LYS  33  42.772  -3.494  -3.494
  222   1HG   LYS  33           HG2      LYS  33  43.245  -3.786  -3.786
  223   2HG   LYS  33           HG1      LYS  33  44.209  -5.224  -5.224
  224   1HD   LYS  33           HD2      LYS  33  45.570  -2.789  -2.789
  225   2HD   LYS  33           HD1      LYS  33  45.185  -2.754  -2.754
  226   1HE   LYS  33           HE2      LYS  33  46.128  -5.154  -5.154
  227   2HE   LYS  33           HE1      LYS  33  46.818  -4.796  -4.796
  228   1HZ   LYS  33           HZ2      LYS  33  47.237  -2.781  -2.781
  229   2HZ   LYS  33           HZ1      LYS  33  48.041  -4.255  -4.255
  230   3HZ   LYS  33           HZ3      LYS  33  48.308  -3.381  -3.381
  231    H    GLU  34           HN       GLU  34  45.214  -6.593  -6.593
  232    HA   GLU  34           HA       GLU  34  47.554  -6.366  -6.366
  233   1HB   GLU  34           HB2      GLU  34  48.151  -8.608  -8.608
  234   2HB   GLU  34           HB1      GLU  34  47.913  -7.132  -7.132
  235   1HG   GLU  34           HG2      GLU  34  45.778  -7.787  -7.787
  236   2HG   GLU  34           HG1      GLU  34  45.582  -8.945  -8.945
  237    H    ALA  35           HN       ALA  35  44.885  -8.573  -8.573
  238    HA   ALA  35           HA       ALA  35  46.382 -10.052 -10.052
  239   1HB   ALA  35           HB1      ALA  35  44.955 -11.064 -11.064
  240   2HB   ALA  35           HB3      ALA  35  43.682 -10.945 -10.945
  241   3HB   ALA  35           HB2      ALA  35  45.129 -11.901 -11.901
  242    H    LEU  36           HN       LEU  36  42.994  -9.164  -9.164
  243    HA   LEU  36           HA       LEU  36  42.215  -9.191  -9.191
  244   1HB   LEU  36           HB2      LEU  36  40.472  -7.453  -7.453
  245   2HB   LEU  36           HB1      LEU  36  40.480  -9.033  -9.033
  246    HG   LEU  36           HG       LEU  36  42.303  -7.038  -7.038
  247   1HD1  LEU  36          HD12      LEU  36  39.736  -6.154  -6.154
  248   2HD1  LEU  36          HD11      LEU  36  39.618  -6.624  -6.624
  249   3HD1  LEU  36          HD13      LEU  36  40.816  -5.434  -5.434
  250   1HD2  LEU  36          HD22      LEU  36  41.125  -9.468  -9.468
  251   2HD2  LEU  36          HD21      LEU  36  42.044  -8.421  -8.421
  252   3HD2  LEU  36          HD23      LEU  36  40.295  -8.285  -8.285
  253    H    GLU  37           HN       GLU  37  43.732  -6.507  -6.507
  254    HA   GLU  37           HA       GLU  37  43.215  -4.613  -4.613
  255   1HB   GLU  37           HB2      GLU  37  43.842  -4.000  -4.000
  256   2HB   GLU  37           HB1      GLU  37  45.490  -4.520  -4.520
  257   1HG   GLU  37           HG2      GLU  37  44.838  -2.878  -2.878
  258   2HG   GLU  37           HG1      GLU  37  44.115  -2.054  -2.054
  259    H    GLN  38           HN       GLN  38  45.780  -6.950  -6.950
  260    HA   GLN  38           HA       GLN  38  47.527  -5.826  -5.826
  261   1HB   GLN  38           HB2      GLN  38  47.505  -8.560  -8.560
  262   2HB   GLN  38           HB1      GLN  38  48.818  -7.915  -7.915
  263   1HG   GLN  38           HG2      GLN  38  47.821  -6.863  -6.863
  264   2HG   GLN  38           HG1      GLN  38  49.416  -7.537  -7.537
  265   1HE2  GLN  38          HE22      GLN  38  48.542  -3.705  -3.705
  266   2HE2  GLN  38          HE21      GLN  38  47.272  -4.769  -4.769
  267    H    PHE  39           HN       PHE  39  45.883  -8.977  -8.977
  268    HA   PHE  39           HA       PHE  39  45.914  -9.093  -9.093
  269   1HB   PHE  39           HB2      PHE  39  45.068 -11.434 -11.434
  270   2HB   PHE  39           HB1      PHE  39  46.635 -11.069 -11.069
  271    HD1  PHE  39           HD1      PHE  39  43.001 -10.662 -10.662
  272    HD2  PHE  39           HD2      PHE  39  46.974 -11.861 -11.861
  273    HE1  PHE  39           HE1      PHE  39  42.180 -11.273 -11.273
  274    HE2  PHE  39           HE2      PHE  39  46.134 -12.483 -12.483
  275    HZ   PHE  39           HZ       PHE  39  43.735 -12.192 -12.192
  276    H    GLY  40           HN       GLY  40  43.755  -8.456  -8.456
  277   1HA   GLY  40           HA2      GLY  40  41.343  -9.091  -9.091
  278   2HA   GLY  40           HA1      GLY  40  41.386  -8.457  -8.457
  279    H    MET  41           HN       MET  41  43.343  -6.314  -6.314
  280    HA   MET  41           HA       MET  41  42.965  -4.034  -4.034
  281   1HB   MET  41           HB2      MET  41  41.834  -5.606  -5.606
  282   2HB   MET  41           HB1      MET  41  41.195  -3.964  -3.964
  283   1HG   MET  41           HG2      MET  41  43.864  -3.547  -3.547
  284   2HG   MET  41           HG1      MET  41  43.916  -4.879  -4.879
  285   1HE   MET  41           HE3      MET  41  45.027  -2.214  -2.214
  286   2HE   MET  41           HE2      MET  41  44.727  -1.439  -1.439
  287   3HE   MET  41           HE1      MET  41  43.883  -0.871  -0.871
  288    H    TYR  42           HN       TYR  42  41.891  -4.249  -4.249
  289    HA   TYR  42           HA       TYR  42  38.944  -4.090  -4.090
  290   1HB   TYR  42           HB2      TYR  42  39.118  -5.134  -5.134
  291   2HB   TYR  42           HB1      TYR  42  40.804  -5.398  -5.398
  292    HD1  TYR  42           HD1      TYR  42  42.392  -3.306  -3.306
  293    HD2  TYR  42           HD2      TYR  42  38.621  -4.074  -4.074
  294    HE1  TYR  42           HE1      TYR  42  43.075  -1.894  -1.894
  295    HE2  TYR  42           HE2      TYR  42  39.301  -2.654  -2.654
  296    HH   TYR  42           HH       TYR  42  41.490  -1.908  -1.908
  297    H    SER  43           HN       SER  43  41.535  -1.907  -1.907
  298    HA   SER  43           HA       SER  43  40.947   0.061   0.061
  299   1HB   SER  43           HB2      SER  43  41.671   1.692   1.692
  300   2HB   SER  43           HB1      SER  43  42.826   0.502   0.502
  301    HG   SER  43           HG       SER  43  42.868  -0.344  -0.344
  302    H    GLU  44           HN       GLU  44  39.920   2.316   2.316
  303    HA   GLU  44           HA       GLU  44  37.165   2.135   2.135
  304   1HB   GLU  44           HB2      GLU  44  39.107   4.219   4.219
  305   2HB   GLU  44           HB1      GLU  44  37.798   4.420   4.420
  306   1HG   GLU  44           HG2      GLU  44  36.178   4.668   4.668
  307   2HG   GLU  44           HG1      GLU  44  37.146   3.822   3.822
  308    H    ASP  45           HN       ASP  45  38.728   3.361   3.361
  309    HA   ASP  45           HA       ASP  45  36.657   2.669   2.669
  310   1HB   ASP  45           HB2      ASP  45  38.756   4.082   4.082
  311   2HB   ASP  45           HB1      ASP  45  39.514   2.549   2.549
  312    H    ALA  46           HN       ALA  46  38.961   0.623   0.623
  313    HA   ALA  46           HA       ALA  46  38.841  -1.548  -1.548
  314   1HB   ALA  46           HB1      ALA  46  40.230  -0.897  -0.897
  315   2HB   ALA  46           HB3      ALA  46  39.490  -2.475  -2.475
  316   3HB   ALA  46           HB2      ALA  46  40.587  -2.186  -2.186
  317    H    ILE  47           HN       ILE  47  37.942  -1.934  -1.934
  318    HA   ILE  47           HA       ILE  47  36.093  -3.978  -3.978
  319    HB   ILE  47           HB       ILE  47  36.902  -3.223  -3.223
  320   1HG1  ILE  47          HG12      ILE  47  33.908  -2.803  -2.803
  321   2HG1  ILE  47          HG11      ILE  47  34.666  -4.391  -4.391
  322   1HG2  ILE  47          HG21      ILE  47  35.363  -0.733  -0.733
  323   2HG2  ILE  47          HG23      ILE  47  35.716  -1.174  -1.174
  324   3HG2  ILE  47          HG22      ILE  47  37.036  -0.879  -0.879
  325   1HD1  ILE  47          HD13      ILE  47  35.861  -3.629  -3.629
  326   2HD1  ILE  47          HD12      ILE  47  34.694  -2.308  -2.308
  327   3HD1  ILE  47          HD11      ILE  47  34.137  -3.971  -3.971
  328    H    ILE  48           HN       ILE  48  35.635  -0.516  -0.516
  329    HA   ILE  48           HA       ILE  48  32.827  -0.340  -0.340
  330    HB   ILE  48           HB       ILE  48  34.977   1.216   1.216
  331   1HG1  ILE  48          HG12      ILE  48  33.192   2.017   2.017
  332   2HG1  ILE  48          HG11      ILE  48  34.777   1.281   1.281
  333   1HG2  ILE  48          HG22      ILE  48  32.231   1.176   1.176
  334   2HG2  ILE  48          HG21      ILE  48  32.489   2.629   2.629
  335   3HG2  ILE  48          HG23      ILE  48  33.422   2.376   2.376
  336   1HD1  ILE  48          HD13      ILE  48  35.604   3.160   3.160
  337   2HD1  ILE  48          HD12      ILE  48  34.088   3.955   3.955
  338   3HD1  ILE  48          HD11      ILE  48  35.266   3.579   3.579
  339    H    TYR  49           HN       TYR  49  35.086  -1.181  -1.181
  340    HA   TYR  49           HA       TYR  49  32.923  -1.460  -1.460
  341   1HB   TYR  49           HB2      TYR  49  35.019  -0.861  -0.861
  342   2HB   TYR  49           HB1      TYR  49  35.872  -2.122  -2.122
  343    HD1  TYR  49           HD1      TYR  49  33.003  -1.768  -1.768
  344    HD2  TYR  49           HD2      TYR  49  36.389  -4.090  -4.090
  345    HE1  TYR  49           HE1      TYR  49  32.585  -3.368  -3.368
  346    HE2  TYR  49           HE2      TYR  49  35.974  -5.690  -5.690
  347    HH   TYR  49           HH       TYR  49  33.645  -5.039  -5.039
  348    H    GLN  50           HN       GLN  50  34.510  -3.639  -3.639
  349    HA   GLN  50           HA       GLN  50  33.232  -5.910  -5.910
  350   1HB   GLN  50           HB2      GLN  50  34.292  -7.286  -7.286
  351   2HB   GLN  50           HB1      GLN  50  35.396  -6.511  -6.511
  352   1HG   GLN  50           HG2      GLN  50  34.658  -4.814  -4.814
  353   2HG   GLN  50           HG1      GLN  50  35.518  -6.280  -6.280
  354   1HE2  GLN  50          HE22      GLN  50  37.602  -4.248  -4.248
  355   2HE2  GLN  50          HE21      GLN  50  36.016  -4.774  -4.774
  356    H    VAL  51           HN       VAL  51  32.343  -3.618  -3.618
  357    HA   VAL  51           HA       VAL  51  30.566  -5.385  -5.385
  358    HB   VAL  51           HB       VAL  51  31.258  -2.447  -2.447
  359   1HG1  VAL  51          HG12      VAL  51  28.879  -3.881  -3.881
  360   2HG1  VAL  51          HG11      VAL  51  29.703  -2.837  -2.837
  361   3HG1  VAL  51          HG13      VAL  51  29.095  -2.167  -2.167
  362   1HG2  VAL  51          HG21      VAL  51  32.792  -4.131  -4.131
  363   2HG2  VAL  51          HG23      VAL  51  32.076  -3.022  -3.022
  364   3HG2  VAL  51          HG22      VAL  51  31.449  -4.662  -4.662
  365    H    GLN  52           HN       GLN  52  30.419  -2.569  -2.569
  366    HA   GLN  52           HA       GLN  52  27.582  -2.443  -2.443
  367   1HB   GLN  52           HB2      GLN  52  29.875  -1.190  -1.190
  368   2HB   GLN  52           HB1      GLN  52  28.684  -1.551  -1.551
  369   1HG   GLN  52           HG2      GLN  52  26.949  -0.393  -0.393
  370   2HG   GLN  52           HG1      GLN  52  28.065  -0.117  -0.117
  371   1HE2  GLN  52          HE22      GLN  52  30.073   2.135   2.135
  372   2HE2  GLN  52          HE21      GLN  52  30.389   0.666   0.666
  373    H    HIS  53           HN       HIS  53  29.740  -4.811  -4.811
  374    HA   HIS  53           HA       HIS  53  27.591  -5.924  -5.924
  375   1HB   HIS  53           HB2      HIS  53  30.131  -5.940  -5.940
  376   2HB   HIS  53           HB1      HIS  53  28.525  -5.688  -5.688
  377    HD1  HIS  53           HD1      HIS  53  28.367  -3.443  -3.443
  378    HD2  HIS  53           HD2      HIS  53  30.803  -3.337  -3.337
  379    HE1  HIS  53           HE1      HIS  53  29.148  -1.047  -1.047
  380    H    GLY  54           HN       GLY  54  29.404  -6.487  -6.487
  381   1HA   GLY  54           HA2      GLY  54  30.597  -8.362  -8.362
  382   2HA   GLY  54           HA1      GLY  54  29.598  -9.269  -9.269
  383    H    LYS  55           HN       LYS  55  30.923 -10.458 -10.458
  384    HA   LYS  55           HA       LYS  55  32.413  -9.982  -9.982
  385   1HB   LYS  55           HB2      LYS  55  33.872  -8.894  -8.894
  386   2HB   LYS  55           HB1      LYS  55  34.824 -10.000 -10.000
  387   1HG   LYS  55           HG2      LYS  55  34.651  -7.378  -7.378
  388   2HG   LYS  55           HG1      LYS  55  34.848  -8.621  -8.621
  389   1HD   LYS  55           HD2      LYS  55  32.032  -8.142  -8.142
  390   2HD   LYS  55           HD1      LYS  55  32.843  -6.707  -6.707
  391   1HE   LYS  55           HE2      LYS  55  33.116  -7.601  -7.601
  392   2HE   LYS  55           HE1      LYS  55  33.444  -9.216  -9.216
  393   1HZ   LYS  55           HZ1      LYS  55  30.737  -8.100  -8.100
  394   2HZ   LYS  55           HZ3      LYS  55  31.244  -8.734  -8.734
  395   3HZ   LYS  55           HZ2      LYS  55  31.228  -9.722  -9.722
  396    H    ASN  56           HN       ASN  56  33.375 -11.846 -11.846
  397    HA   ASN  56           HA       ASN  56  33.801 -14.141 -14.141
  398   1HB   ASN  56           HB2      ASN  56  34.923 -13.313 -13.313
  399   2HB   ASN  56           HB1      ASN  56  35.032 -14.980 -14.980
  400   1HD2  ASN  56          HD22      ASN  56  37.220 -12.054 -12.054
  401   2HD2  ASN  56          HD21      ASN  56  35.891 -11.614 -11.614
  402    H    ALA  57           HN       ALA  57  33.339 -14.198 -14.198
  403    HA   ALA  57           HA       ALA  57  30.668 -15.481 -15.481
  404   1HB   ALA  57           HB2      ALA  57  32.758 -16.969 -16.969
  405   2HB   ALA  57           HB1      ALA  57  32.461 -16.299 -16.299
  406   3HB   ALA  57           HB3      ALA  57  31.202 -17.227 -17.227
  407    H    MET  58           HN       MET  58  31.029 -12.747 -12.747
  408    HA   MET  58           HA       MET  58  30.206 -12.564 -12.564
  409   1HB   MET  58           HB2      MET  58  32.372 -11.460 -11.460
  410   2HB   MET  58           HB1      MET  58  31.542 -10.439 -10.439
  411   1HG   MET  58           HG2      MET  58  30.116  -9.531  -9.531
  412   2HG   MET  58           HG1      MET  58  30.914 -10.581 -10.581
  413   1HE   MET  58           HE1      MET  58  30.828  -7.916  -7.916
  414   2HE   MET  58           HE3      MET  58  31.899  -6.664  -6.664
  415   3HE   MET  58           HE2      MET  58  30.536  -7.246  -7.246
  416    HA   PRO  59           HA       PRO  59  26.382 -11.123 -11.123
  417   1HB   PRO  59           HB2      PRO  59  25.325 -10.236 -10.236
  418   2HB   PRO  59           HB1      PRO  59  25.443 -11.943 -11.943
  419   1HG   PRO  59           HG2      PRO  59  27.054 -10.377 -10.377
  420   2HG   PRO  59           HG1      PRO  59  26.731 -12.113 -12.113
  421   1HD   PRO  59           HD2      PRO  59  29.110 -10.807 -10.807
  422   2HD   PRO  59           HD1      PRO  59  28.697 -12.512 -12.512
  423    H    ALA  60           HN       ALA  60  26.499  -9.259  -9.259
  424    HA   ALA  60           HA       ALA  60  27.533  -6.768  -6.768
  425   1HB   ALA  60           HB3      ALA  60  24.800  -7.396  -7.396
  426   2HB   ALA  60           HB2      ALA  60  25.674  -5.884  -5.884
  427   3HB   ALA  60           HB1      ALA  60  26.320  -7.391  -7.391
  428    H    PHE  61           HN       PHE  61  26.495  -4.719  -4.719
  429    HA   PHE  61           HA       PHE  61  24.331  -5.003  -5.003
  430   1HB   PHE  61           HB2      PHE  61  27.118  -4.090  -4.090
  431   2HB   PHE  61           HB1      PHE  61  25.739  -3.541  -3.541
  432    HD1  PHE  61           HD1      PHE  61  23.972  -5.874  -5.874
  433    HD2  PHE  61           HD2      PHE  61  28.245  -5.665  -5.665
  434    HE1  PHE  61           HE1      PHE  61  23.969  -8.023  -8.023
  435    HE2  PHE  61           HE2      PHE  61  28.242  -7.810  -7.810
  436    HZ   PHE  61           HZ       PHE  61  26.106  -8.990  -8.990
  437    H    ALA  62           HN       ALA  62  25.189  -3.583  -3.583
  438    HA   ALA  62           HA       ALA  62  25.160  -0.795  -0.795
  439   1HB   ALA  62           HB3      ALA  62  25.560  -2.182  -2.182
  440   2HB   ALA  62           HB2      ALA  62  23.817  -2.006  -2.006
  441   3HB   ALA  62           HB1      ALA  62  24.843  -0.575  -0.575
  442    H    GLY  63           HN       GLY  63  22.695  -3.083  -3.083
  443   1HA   GLY  63           HA2      GLY  63  20.663  -0.879  -0.879
  444   2HA   GLY  63           HA1      GLY  63  20.258  -2.540  -2.540
  445    H    ARG  64           HN       ARG  64  22.501  -2.959  -2.959
  446    HA   ARG  64           HA       ARG  64  20.478  -3.237  -3.237
  447   1HB   ARG  64           HB2      ARG  64  22.051  -5.120  -5.120
  448   2HB   ARG  64           HB1      ARG  64  23.203  -4.445  -4.445
  449   1HG   ARG  64           HG2      ARG  64  21.627  -4.811  -4.811
  450   2HG   ARG  64           HG1      ARG  64  20.411  -5.401  -5.401
  451   1HD   ARG  64           HD2      ARG  64  22.446  -6.986  -6.986
  452   2HD   ARG  64           HD1      ARG  64  22.905  -6.711  -6.711
  453    HE   ARG  64           HE       ARG  64  20.210  -7.780  -7.780
  454   1HH1  ARG  64          HH11      ARG  64  23.216  -8.695  -8.695
  455   2HH1  ARG  64          HH12      ARG  64  22.636  -9.483  -9.483
  456   1HH2  ARG  64          HH21      ARG  64  19.377  -8.363  -8.363
  457   2HH2  ARG  64          HH22      ARG  64  20.462  -9.295  -9.295
  458    H    LEU  65           HN       LEU  65  23.967  -2.703  -2.703
  459    HA   LEU  65           HA       LEU  65  24.277  -1.324  -1.324
  460   1HB   LEU  65           HB2      LEU  65  25.924  -1.613  -1.613
  461   2HB   LEU  65           HB1      LEU  65  26.418  -0.466  -0.466
  462    HG   LEU  65           HG       LEU  65  27.275  -2.984  -2.984
  463   1HD1  LEU  65          HD12      LEU  65  26.340  -1.393  -1.393
  464   2HD1  LEU  65          HD11      LEU  65  27.430  -2.777  -2.777
  465   3HD1  LEU  65          HD13      LEU  65  27.925  -1.322  -1.322
  466   1HD2  LEU  65          HD22      LEU  65  24.626  -3.123  -3.123
  467   2HD2  LEU  65          HD21      LEU  65  25.051  -4.021  -4.021
  468   3HD2  LEU  65          HD23      LEU  65  25.884  -4.355  -4.355
  469    H    THR  66           HN       THR  66  23.057   0.477   0.477
  470    HA   THR  66           HA       THR  66  21.883   2.212   2.212
  471    HB   THR  66           HB       THR  66  23.326   3.103   3.103
  472    HG1  THR  66           HG1      THR  66  21.531   2.480   2.480
  473   1HG2  THR  66          HG22      THR  66  21.272   4.334   4.334
  474   2HG2  THR  66          HG21      THR  66  21.294   4.736   4.736
  475   3HG2  THR  66          HG23      THR  66  22.707   5.067   5.067
  476    H    ASP  67           HN       ASP  67  22.579   4.492   4.492
  477    HA   ASP  67           HA       ASP  67  24.843   4.374   4.374
  478   1HB   ASP  67           HB2      ASP  67  22.828   6.070   6.070
  479   2HB   ASP  67           HB1      ASP  67  23.912   6.999   6.999
  480    H    GLU  68           HN       GLU  68  24.440   6.202   6.202
  481    HA   GLU  68           HA       GLU  68  27.228   6.818   6.818
  482   1HB   GLU  68           HB2      GLU  68  25.209   6.587   6.587
  483   2HB   GLU  68           HB1      GLU  68  26.637   7.621   7.621
  484   1HG   GLU  68           HG2      GLU  68  24.992   8.163   8.163
  485   2HG   GLU  68           HG1      GLU  68  23.990   8.245   8.245
  486    H    GLN  69           HN       GLN  69  26.070   3.857   3.857
  487    HA   GLN  69           HA       GLN  69  27.564   2.712   2.712
  488   1HB   GLN  69           HB2      GLN  69  25.166   1.991   1.991
  489   2HB   GLN  69           HB1      GLN  69  26.346   0.681   0.681
  490   1HG   GLN  69           HG2      GLN  69  25.418   0.205   0.205
  491   2HG   GLN  69           HG1      GLN  69  26.617   1.373   1.373
  492   1HE2  GLN  69          HE22      GLN  69  24.202   4.002   4.002
  493   2HE2  GLN  69          HE21      GLN  69  25.855   3.700   3.700
  494    H    ILE  70           HN       ILE  70  27.091   2.533   2.533
  495    HA   ILE  70           HA       ILE  70  29.207   0.706   0.706
  496    HB   ILE  70           HB       ILE  70  28.624   3.167   3.167
  497   1HG1  ILE  70          HG12      ILE  70  26.449   2.227   2.227
  498   2HG1  ILE  70          HG11      ILE  70  26.868   1.744   1.744
  499   1HG2  ILE  70          HG23      ILE  70  30.513   1.571   1.571
  500   2HG2  ILE  70          HG22      ILE  70  29.291   0.323   0.323
  501   3HG2  ILE  70          HG21      ILE  70  29.303   1.755   1.755
  502   1HD1  ILE  70          HD12      ILE  70  27.512  -0.008  -0.008
  503   2HD1  ILE  70          HD11      ILE  70  25.952  -0.093  -0.093
  504   3HD1  ILE  70          HD13      ILE  70  27.432  -0.460  -0.460
  505    H    GLN  71           HN       GLN  71  29.057   3.913   3.913
  506    HA   GLN  71           HA       GLN  71  31.902   4.434   4.434
  507   1HB   GLN  71           HB2      GLN  71  29.491   5.946   5.946
  508   2HB   GLN  71           HB1      GLN  71  31.111   6.551   6.551
  509   1HG   GLN  71           HG2      GLN  71  30.168   7.534   7.534
  510   2HG   GLN  71           HG1      GLN  71  31.610   6.569   6.569
  511   1HE2  GLN  71          HE22      GLN  71  28.074   5.462   5.462
  512   2HE2  GLN  71          HE21      GLN  71  28.222   6.882   6.882
  513    H    ASP  72           HN       ASP  72  29.677   4.946   4.946
  514    HA   ASP  72           HA       ASP  72  31.334   4.744   4.744
  515   1HB   ASP  72           HB2      ASP  72  28.482   3.770   3.770
  516   2HB   ASP  72           HB1      ASP  72  29.311   3.888   3.888
  517    H    VAL  73           HN       VAL  73  29.369   1.940   1.940
  518    HA   VAL  73           HA       VAL  73  30.585   0.006   0.006
  519    HB   VAL  73           HB       VAL  73  29.214  -0.039  -0.039
  520   1HG1  VAL  73          HG11      VAL  73  31.101  -2.109  -2.109
  521   2HG1  VAL  73          HG13      VAL  73  29.505  -2.703  -2.703
  522   3HG1  VAL  73          HG12      VAL  73  30.476  -1.787  -1.787
  523   1HG2  VAL  73          HG23      VAL  73  28.707  -0.705  -0.705
  524   2HG2  VAL  73          HG22      VAL  73  27.575  -0.280  -0.280
  525   3HG2  VAL  73          HG21      VAL  73  28.143  -1.943  -1.943
  526    H    ALA  74           HN       ALA  74  31.857   1.488   1.488
  527    HA   ALA  74           HA       ALA  74  34.052  -0.466  -0.466
  528   1HB   ALA  74           HB2      ALA  74  33.200   0.747   0.747
  529   2HB   ALA  74           HB1      ALA  74  33.760   2.266   2.266
  530   3HB   ALA  74           HB3      ALA  74  34.924   1.018   1.018
  531    H    ALA  75           HN       ALA  75  34.316   3.110   3.110
  532    HA   ALA  75           HA       ALA  75  36.809   3.135   3.135
  533   1HB   ALA  75           HB3      ALA  75  34.471   4.912   4.912
  534   2HB   ALA  75           HB2      ALA  75  35.356   5.067   5.067
  535   3HB   ALA  75           HB1      ALA  75  36.190   5.322   5.322
  536    H    TYR  76           HN       TYR  76  33.761   2.045   2.045
  537    HA   TYR  76           HA       TYR  76  34.023   2.083   2.083
  538   1HB   TYR  76           HB2      TYR  76  31.852   1.582   1.582
  539   2HB   TYR  76           HB1      TYR  76  32.532   0.261   0.261
  540    HD1  TYR  76           HD1      TYR  76  31.641   1.340   1.340
  541    HD2  TYR  76           HD2      TYR  76  32.935  -1.883  -1.883
  542    HE1  TYR  76           HE1      TYR  76  31.239  -0.132  -0.132
  543    HE2  TYR  76           HE2      TYR  76  32.484  -3.425  -3.425
  544    HH   TYR  76           HH       TYR  76  31.337  -3.596  -3.596
  545    H    VAL  77           HN       VAL  77  34.661  -0.527  -0.527
  546    HA   VAL  77           HA       VAL  77  35.815  -2.326  -2.326
  547    HB   VAL  77           HB       VAL  77  35.083  -3.188  -3.188
  548   1HG1  VAL  77          HG13      VAL  77  36.702  -0.927  -0.927
  549   2HG1  VAL  77          HG12      VAL  77  36.385  -2.309  -2.309
  550   3HG1  VAL  77          HG11      VAL  77  35.039  -1.381  -1.381
  551   1HG2  VAL  77          HG22      VAL  77  37.854  -3.429  -3.429
  552   2HG2  VAL  77          HG21      VAL  77  36.831  -4.628  -4.628
  553   3HG2  VAL  77          HG23      VAL  77  37.726  -3.461  -3.461
  554    H    LEU  78           HN       LEU  78  37.019   0.435   0.435
  555    HA   LEU  78           HA       LEU  78  39.845  -0.189  -0.189
  556   1HB   LEU  78           HB2      LEU  78  38.845   2.592   2.592
  557   2HB   LEU  78           HB1      LEU  78  40.324   1.814   1.814
  558    HG   LEU  78           HG       LEU  78  37.506   1.405   1.405
  559   1HD1  LEU  78          HD12      LEU  78  39.947   2.737   2.737
  560   2HD1  LEU  78          HD11      LEU  78  39.348   1.591   1.591
  561   3HD1  LEU  78          HD13      LEU  78  38.304   2.888   2.888
  562   1HD2  LEU  78          HD21      LEU  78  38.827  -0.792  -0.792
  563   2HD2  LEU  78          HD23      LEU  78  38.165  -0.524  -0.524
  564   3HD2  LEU  78          HD22      LEU  78  39.878  -0.239  -0.239
  565    H    ASP  79           HN       ASP  79  37.306   0.923   0.923
  566    HA   ASP  79           HA       ASP  79  38.956   2.502   2.502
  567   1HB   ASP  79           HB2      ASP  79  36.446   2.871   2.871
  568   2HB   ASP  79           HB1      ASP  79  36.104   1.935   1.935
  569    H    GLN  80           HN       GLN  80  36.907  -0.350  -0.350
  570    HA   GLN  80           HA       GLN  80  37.190  -1.148  -1.148
  571   1HB   GLN  80           HB2      GLN  80  36.664  -3.032  -3.032
  572   2HB   GLN  80           HB1      GLN  80  36.054  -3.110  -3.110
  573   1HG   GLN  80           HG2      GLN  80  35.103  -1.489  -1.489
  574   2HG   GLN  80           HG1      GLN  80  34.173  -2.333  -2.333
  575   1HE2  GLN  80          HE22      GLN  80  34.172   1.445   1.445
  576   2HE2  GLN  80          HE21      GLN  80  34.047   0.535   0.535
  577    H    ALA  81           HN       ALA  81  38.759  -2.234  -2.234
  578    HA   ALA  81           HA       ALA  81  40.469  -4.147  -4.147
  579   1HB   ALA  81           HB1      ALA  81  39.847  -3.792  -3.792
  580   2HB   ALA  81           HB3      ALA  81  41.315  -2.816  -2.816
  581   3HB   ALA  81           HB2      ALA  81  41.385  -4.519  -4.519
  582    H    ALA  82           HN       ALA  82  40.540  -0.742  -0.742
  583    HA   ALA  82           HA       ALA  82  43.420  -0.554  -0.554
  584   1HB   ALA  82           HB1      ALA  82  41.335   1.209   1.209
  585   2HB   ALA  82           HB3      ALA  82  42.185   1.945   1.945
  586   3HB   ALA  82           HB2      ALA  82  43.081   1.451   1.451
  587    H    LYS  83           HN       LYS  83  41.136  -1.534  -1.534
  588    HA   LYS  83           HA       LYS  83  42.724  -0.757  -0.757
  589   1HB   LYS  83           HB2      LYS  83  41.013   0.666   0.666
  590   2HB   LYS  83           HB1      LYS  83  41.704   1.410   1.410
  591   1HG   LYS  83           HG2      LYS  83  39.620   0.085   0.085
  592   2HG   LYS  83           HG1      LYS  83  38.950   0.406   0.406
  593   1HD   LYS  83           HD2      LYS  83  40.274   2.558   2.558
  594   2HD   LYS  83           HD1      LYS  83  38.547   2.214   2.214
  595   1HE   LYS  83           HE2      LYS  83  38.912   2.369   2.369
  596   2HE   LYS  83           HE1      LYS  83  40.082   3.556   3.556
  597   1HZ   LYS  83           HZ3      LYS  83  38.131   4.323   4.323
  598   2HZ   LYS  83           HZ2      LYS  83  37.161   3.510   3.510
  599   3HZ   LYS  83           HZ1      LYS  83  38.164   4.789   4.789
  600    H    GLY  84           HN       GLY  84  41.629  -3.268  -3.268
  601   1HA   GLY  84           HA2      GLY  84  40.899  -5.078  -5.078
  602   2HA   GLY  84           HA1      GLY  84  40.221  -3.906  -3.906
  603    H    TRP  85           HN       TRP  85  39.761  -5.293  -5.293
  604    HA   TRP  85           HA       TRP  85  37.320  -4.382  -4.382
  605   1HB   TRP  85           HB2      TRP  85  38.786  -6.862  -6.862
  606   2HB   TRP  85           HB1      TRP  85  37.058  -7.174  -7.174
  607    HD1  TRP  85           HD1      TRP  85  39.701  -6.396  -6.396
  608    HE1  TRP  85           HE1      TRP  85  38.760  -5.404  -5.404
  609    HE3  TRP  85           HE3      TRP  85  34.987  -5.266  -5.266
  610    HZ2  TRP  85           HZ2      TRP  85  36.316  -4.305  -4.305
  611    HZ3  TRP  85           HZ3      TRP  85  33.370  -4.216  -4.216
  612    HH2  TRP  85           HH2      TRP  85  34.028  -3.712  -3.712
  613    H    ALA  86           HN       ALA  86  36.108  -3.767  -3.767
  614    HA   ALA  86           HA       ALA  86  34.468  -4.131  -4.131
  615   1HB   ALA  86           HB3      ALA  86  34.034  -6.352  -6.352
  616   2HB   ALA  86           HB2      ALA  86  33.081  -6.299  -6.299
  617   3HB   ALA  86           HB1      ALA  86  33.012  -4.957  -4.957
  618    H    GLY  87           HN       GLY  87  36.976  -4.854  -4.854
  619   1HA   GLY  87           HA2      GLY  87  37.561  -7.418  -7.418
  620   2HA   GLY  87           HA1      GLY  87  37.926  -6.005  -6.005
  621    HHA  HEC  88           HA       HEM  88  36.190 -10.121 -10.121
  622    HHB  HEC  88           HB       HEM  88  33.902  -5.690  -5.690
  623    HHC  HEC  88           HC       HEM  88  28.474  -8.970  -8.970
  624    HHD  HEC  88           HD       HEM  88  31.269 -13.843 -13.843
  625   1HMA  HEC  88          HMA1      HEM  88  35.971  -5.392  -5.392
  626   2HMA  HEC  88          HMA2      HEM  88  36.548  -4.995  -4.995
  627   3HMA  HEC  88          HMA3      HEM  88  37.493  -6.131  -6.131
  628   1HAA  HEC  88          HAA1      HEM  88  37.345  -6.925  -6.925
  629   2HAA  HEC  88          HAA2      HEM  88  37.392  -8.723  -8.723
  630   1HBA  HEC  88          HBA1      HEM  88  39.466  -8.240  -8.240
  631   2HBA  HEC  88          HBA2      HEM  88  38.872  -6.735  -6.735
  632   1HMB  HEC  88          HMB1      HEM  88  32.085  -5.143  -5.143
  633   2HMB  HEC  88          HMB2      HEM  88  32.366  -4.357  -4.357
  634   3HMB  HEC  88          HMB3      HEM  88  30.712  -4.359  -4.359
  635    HAB  HEC  88           HAB      HEM  88  28.182  -7.309  -7.309
  636   1HBB  HEC  88          HBB1      HEM  88  27.249  -5.617  -5.617
  637   2HBB  HEC  88          HBB2      HEM  88  28.335  -4.382  -4.382
  638   3HBB  HEC  88          HBB3      HEM  88  28.893  -5.331  -5.331
  639   1HMC  HEC  88          HMC1      HEM  88  27.037 -12.414 -12.414
  640   2HMC  HEC  88          HMC2      HEM  88  27.319 -10.713 -10.713
  641   3HMC  HEC  88          HMC3      HEM  88  26.623 -11.037 -11.037
  642    HAC  HEC  88           HAC      HEM  88  29.782 -14.525 -14.525
  643   1HBC  HEC  88          HBC1      HEM  88  27.886 -14.002 -14.002
  644   2HBC  HEC  88          HBC2      HEM  88  27.475 -15.339 -15.339
  645   3HBC  HEC  88          HBC3      HEM  88  26.827 -13.679 -13.679
  646   1HMD  HEC  88          HMD1      HEM  88  32.446 -14.882 -14.882
  647   2HMD  HEC  88          HMD2      HEM  88  33.778 -14.691 -14.691
  648   3HMD  HEC  88          HMD3      HEM  88  34.155 -15.223 -15.223
  649   1HAD  HEC  88          HAD1      HEM  88  36.290 -13.676 -13.676
  650   2HAD  HEC  88          HAD2      HEM  88  36.748 -11.922 -11.922
  651   1HBD  HEC  88          HBD1      HEM  88  35.800 -13.610 -13.610
  652   2HBD  HEC  88          HBD2      HEM  88  34.706 -12.186 -12.186

  Start of MODEL   18
    1   1H    ALA   1           HT3      ALA   1  32.653   8.738   8.738
    2   2H    ALA   1           HT2      ALA   1  34.178   9.405   9.405
    3   3H    ALA   1           HT1      ALA   1  33.230  10.040  10.040
    4    HA   ALA   1           HA       ALA   1  32.216  11.434  11.434
    5   1HB   ALA   1           HB1      ALA   1  34.558  10.523  10.523
    6   2HB   ALA   1           HB3      ALA   1  33.276  10.755  10.755
    7   3HB   ALA   1           HB2      ALA   1  33.754  12.086  12.086
    8    H    ASP   2           HN       ASP   2  30.159  10.309  10.309
    9    HA   ASP   2           HA       ASP   2  28.181   9.533   9.533
   10   1HB   ASP   2           HB2      ASP   2  29.707   9.180   9.180
   11   2HB   ASP   2           HB1      ASP   2  27.977   9.464   9.464
   12    H    LEU   3           HN       LEU   3  30.888   7.809   7.809
   13    HA   LEU   3           HA       LEU   3  30.181   5.322   5.322
   14   1HB   LEU   3           HB2      LEU   3  32.499   6.206   6.206
   15   2HB   LEU   3           HB1      LEU   3  31.894   5.209   5.209
   16    HG   LEU   3           HG       LEU   3  31.832   4.194   4.194
   17   1HD1  LEU   3          HD12      LEU   3  34.194   5.006   5.006
   18   2HD1  LEU   3          HD11      LEU   3  34.105   3.384   3.384
   19   3HD1  LEU   3          HD13      LEU   3  34.038   3.603   3.603
   20   1HD2  LEU   3          HD21      LEU   3  31.760   3.031   3.031
   21   2HD2  LEU   3          HD23      LEU   3  30.629   2.785   2.785
   22   3HD2  LEU   3          HD22      LEU   3  32.219   2.027   2.027
   23    H    ALA   4           HN       ALA   4  28.511   6.902   6.902
   24    HA   ALA   4           HA       ALA   4  28.052   4.784   4.784
   25   1HB   ALA   4           HB3      ALA   4  27.578   7.253   7.253
   26   2HB   ALA   4           HB2      ALA   4  26.212   7.100   7.100
   27   3HB   ALA   4           HB1      ALA   4  26.247   6.166   6.166
   28    H    ASN   5           HN       ASN   5  27.075   5.767   5.767
   29    HA   ASN   5           HA       ASN   5  24.718   4.047   4.047
   30   1HB   ASN   5           HB2      ASN   5  26.251   5.815   5.815
   31   2HB   ASN   5           HB1      ASN   5  24.949   4.786   4.786
   32   1HD2  ASN   5          HD22      ASN   5  23.295   7.983   7.983
   33   2HD2  ASN   5          HD21      ASN   5  24.333   7.363   7.363
   34    H    GLY   6           HN       GLY   6  28.026   3.634   3.634
   35   1HA   GLY   6           HA2      GLY   6  28.127   1.454   1.454
   36   2HA   GLY   6           HA1      GLY   6  29.475   2.058   2.058
   37    H    ALA   7           HN       ALA   7  28.961   1.805   1.805
   38    HA   ALA   7           HA       ALA   7  29.121  -0.799  -0.799
   39   1HB   ALA   7           HB2      ALA   7  28.058   1.667   1.667
   40   2HB   ALA   7           HB1      ALA   7  27.784   0.124   0.124
   41   3HB   ALA   7           HB3      ALA   7  29.428   0.657   0.657
   42    H    LYS   8           HN       LYS   8  26.174   0.994   0.994
   43    HA   LYS   8           HA       LYS   8  24.365  -1.019  -1.019
   44   1HB   LYS   8           HB2      LYS   8  22.890   0.056   0.056
   45   2HB   LYS   8           HB1      LYS   8  23.161   0.907   0.907
   46   1HG   LYS   8           HG2      LYS   8  24.480   2.483   2.483
   47   2HG   LYS   8           HG1      LYS   8  25.262   1.306   1.306
   48   1HD   LYS   8           HD2      LYS   8  22.396   2.155   2.155
   49   2HD   LYS   8           HD1      LYS   8  23.741   3.079   3.079
   50   1HE   LYS   8           HE2      LYS   8  24.067   1.581   1.581
   51   2HE   LYS   8           HE1      LYS   8  24.121   0.256   0.256
   52   1HZ   LYS   8           HZ1      LYS   8  21.624   1.493   1.493
   53   2HZ   LYS   8           HZ3      LYS   8  22.285   0.044   0.044
   54   3HZ   LYS   8           HZ2      LYS   8  21.741   0.143   0.143
   55    H    VAL   9           HN       VAL   9  25.755  -0.377  -0.377
   56    HA   VAL   9           HA       VAL   9  24.564  -2.608  -2.608
   57    HB   VAL   9           HB       VAL   9  27.161  -1.171  -1.171
   58   1HG1  VAL   9          HG12      VAL   9  26.760  -3.540  -3.540
   59   2HG1  VAL   9          HG11      VAL   9  25.501  -2.754  -2.754
   60   3HG1  VAL   9          HG13      VAL   9  27.176  -2.232  -2.232
   61   1HG2  VAL   9          HG22      VAL   9  24.281  -0.716  -0.716
   62   2HG2  VAL   9          HG21      VAL   9  25.562   0.460   0.460
   63   3HG2  VAL   9          HG23      VAL   9  25.454  -0.349  -0.349
   64    H    PHE  10           HN       PHE  10  27.994  -2.350  -2.350
   65    HA   PHE  10           HA       PHE  10  28.701  -4.982  -4.982
   66   1HB   PHE  10           HB2      PHE  10  30.207  -3.172  -3.172
   67   2HB   PHE  10           HB1      PHE  10  29.590  -3.439  -3.439
   68    HD1  PHE  10           HD1      PHE  10  29.963  -5.461  -5.461
   69    HD2  PHE  10           HD2      PHE  10  31.737  -4.817  -4.817
   70    HE1  PHE  10           HE1      PHE  10  31.520  -7.318  -7.318
   71    HE2  PHE  10           HE2      PHE  10  33.303  -6.660  -6.660
   72    HZ   PHE  10           HZ       PHE  10  33.210  -7.925  -7.925
   73    H    SER  11           HN       SER  11  27.222  -3.775  -3.775
   74    HA   SER  11           HA       SER  11  27.278  -6.456  -6.456
   75   1HB   SER  11           HB2      SER  11  26.516  -3.726  -3.726
   76   2HB   SER  11           HB1      SER  11  25.708  -5.078  -5.078
   77    HG   SER  11           HG       SER  11  27.593  -5.808  -5.808
   78    H    GLY  12           HN       GLY  12  25.577  -5.687  -5.687
   79   1HA   GLY  12           HA2      GLY  12  23.206  -7.128  -7.128
   80   2HA   GLY  12           HA1      GLY  12  22.925  -5.555  -5.555
   81    H    ASN  13           HN       ASN  13  25.571  -6.881  -6.881
   82    HA   ASN  13           HA       ASN  13  24.048  -8.622  -8.622
   83   1HB   ASN  13           HB2      ASN  13  25.368  -6.297  -6.297
   84   2HB   ASN  13           HB1      ASN  13  23.979  -7.252  -7.252
   85   1HD2  ASN  13          HD22      ASN  13  23.386  -3.864  -3.864
   86   2HD2  ASN  13          HD21      ASN  13  24.930  -4.340  -4.340
   87    H    CYS  14           HN       CYS  14  27.042  -6.718  -6.718
   88    HA   CYS  14           HA       CYS  14  28.633  -8.557  -8.557
   89   1HB   CYS  14           HB2      CYS  14  29.785  -6.721  -6.721
   90   2HB   CYS  14           HB1      CYS  14  30.450  -7.159  -7.159
   91    H    ALA  15           HN       ALA  15  27.963  -8.168  -8.168
   92    HA   ALA  15           HA       ALA  15  29.899  -9.831  -9.831
   93   1HB   ALA  15           HB1      ALA  15  27.209  -8.906  -8.906
   94   2HB   ALA  15           HB3      ALA  15  27.643 -10.453 -10.453
   95   3HB   ALA  15           HB2      ALA  15  28.662  -9.039  -9.039
   96    H    ALA  16           HN       ALA  16  26.872 -10.767 -10.767
   97    HA   ALA  16           HA       ALA  16  26.861 -13.511 -13.511
   98   1HB   ALA  16           HB3      ALA  16  25.861 -11.918 -11.918
   99   2HB   ALA  16           HB2      ALA  16  25.906 -13.673 -13.673
  100   3HB   ALA  16           HB1      ALA  16  24.964 -12.931 -12.931
  101    H    CYS  17           HN       CYS  17  28.648 -11.799 -11.799
  102    HA   CYS  17           HA       CYS  17  30.225 -14.290 -14.290
  103   1HB   CYS  17           HB2      CYS  17  29.670 -12.029 -12.029
  104   2HB   CYS  17           HB1      CYS  17  30.645 -13.442 -13.442
  105    H    HIS  18           HN       HIS  18  30.544 -11.851 -11.851
  106    HA   HIS  18           HA       HIS  18  33.427 -11.570 -11.570
  107   1HB   HIS  18           HB2      HIS  18  31.548  -9.209  -9.209
  108   2HB   HIS  18           HB1      HIS  18  33.287  -9.062  -9.062
  109    HD1  HIS  18           HD1      HIS  18  34.841  -9.902  -9.902
  110    HD2  HIS  18           HD2      HIS  18  30.827 -10.018 -10.018
  111    HE1  HIS  18           HE1      HIS  18  34.759 -10.364 -10.364
  112    H    MET  19           HN       MET  19  31.304 -12.320 -12.320
  113    HA   MET  19           HA       MET  19  31.292 -10.460 -10.460
  114   1HB   MET  19           HB2      MET  19  30.472 -13.098 -13.098
  115   2HB   MET  19           HB1      MET  19  31.610 -13.141 -13.141
  116   1HG   MET  19           HG2      MET  19  30.199 -12.031 -12.031
  117   2HG   MET  19           HG1      MET  19  29.769 -10.864 -10.864
  118   1HE   MET  19           HE3      MET  19  29.407 -14.381 -14.381
  119   2HE   MET  19           HE2      MET  19  28.028 -15.082 -15.082
  120   3HE   MET  19           HE1      MET  19  29.535 -14.806 -14.806
  121    H    GLY  20           HN       GLY  20  32.655 -10.279 -10.279
  122   1HA   GLY  20           HA2      GLY  20  34.819  -9.917  -9.917
  123   2HA   GLY  20           HA1      GLY  20  34.966 -11.661 -11.661
  124    H    GLY  21           HN       GLY  21  34.509  -9.340  -9.340
  125   1HA   GLY  21           HA2      GLY  21  35.789  -9.036  -9.036
  126   2HA   GLY  21           HA1      GLY  21  37.099  -8.763  -8.763
  127    H    GLY  22           HN       GLY  22  35.232 -11.593 -11.593
  128   1HA   GLY  22           HA2      GLY  22  37.766 -12.879 -12.879
  129   2HA   GLY  22           HA1      GLY  22  36.806 -13.717 -13.717
  130    H    ASN  23           HN       ASN  23  36.946 -12.752 -12.752
  131    HA   ASN  23           HA       ASN  23  34.438 -13.271 -13.271
  132   1HB   ASN  23           HB2      ASN  23  37.013 -13.167 -13.167
  133   2HB   ASN  23           HB1      ASN  23  36.408 -14.758 -14.758
  134   1HD2  ASN  23          HD22      ASN  23  35.254 -12.105 -12.105
  135   2HD2  ASN  23          HD21      ASN  23  36.792 -12.505 -12.505
  136    H    VAL  24           HN       VAL  24  33.162 -15.085 -15.085
  137    HA   VAL  24           HA       VAL  24  34.054 -17.585 -17.585
  138    HB   VAL  24           HB       VAL  24  31.755 -18.124 -18.124
  139   1HG1  VAL  24          HG12      VAL  24  32.717 -15.467 -15.467
  140   2HG1  VAL  24          HG11      VAL  24  30.964 -15.471 -15.471
  141   3HG1  VAL  24          HG13      VAL  24  31.726 -16.566 -16.566
  142   1HG2  VAL  24          HG22      VAL  24  31.226 -15.962 -15.962
  143   2HG2  VAL  24          HG21      VAL  24  30.909 -17.689 -17.689
  144   3HG2  VAL  24          HG23      VAL  24  29.958 -16.722 -16.722
  145    H    VAL  25           HN       VAL  25  33.966 -16.284 -16.284
  146    HA   VAL  25           HA       VAL  25  33.383 -18.924 -18.924
  147    HB   VAL  25           HB       VAL  25  33.430 -16.170 -16.170
  148   1HG1  VAL  25          HG13      VAL  25  33.468 -18.840 -18.840
  149   2HG1  VAL  25          HG12      VAL  25  31.929 -18.077 -18.077
  150   3HG1  VAL  25          HG11      VAL  25  33.445 -17.306 -17.306
  151   1HG2  VAL  25          HG22      VAL  25  31.521 -17.187 -17.187
  152   2HG2  VAL  25          HG21      VAL  25  31.228 -15.952 -15.952
  153   3HG2  VAL  25          HG23      VAL  25  30.894 -17.646 -17.646
  154    H    MET  26           HN       MET  26  35.404 -16.059 -16.059
  155    HA   MET  26           HA       MET  26  37.372 -17.628 -17.628
  156   1HB   MET  26           HB2      MET  26  37.100 -14.822 -14.822
  157   2HB   MET  26           HB1      MET  26  38.758 -15.402 -15.402
  158   1HG   MET  26           HG2      MET  26  36.705 -15.901 -15.901
  159   2HG   MET  26           HG1      MET  26  37.557 -14.358 -14.358
  160   1HE   MET  26           HE3      MET  26  37.227 -17.261 -17.261
  161   2HE   MET  26           HE2      MET  26  38.777 -17.996 -17.996
  162   3HE   MET  26           HE1      MET  26  38.032 -18.334 -18.334
  163    H    ALA  27           HN       ALA  27  39.063 -18.794 -18.794
  164    HA   ALA  27           HA       ALA  27  39.374 -18.946 -18.946
  165   1HB   ALA  27           HB2      ALA  27  40.427 -20.488 -20.488
  166   2HB   ALA  27           HB1      ALA  27  41.240 -20.628 -20.628
  167   3HB   ALA  27           HB3      ALA  27  39.540 -21.073 -21.073
  168    H    ASN  28           HN       ASN  28  40.088 -16.415 -16.415
  169    HA   ASN  28           HA       ASN  28  42.652 -16.055 -16.055
  170   1HB   ASN  28           HB2      ASN  28  43.776 -15.313 -15.313
  171   2HB   ASN  28           HB1      ASN  28  43.734 -17.035 -17.035
  172   1HD2  ASN  28          HD22      ASN  28  41.796 -15.695 -15.695
  173   2HD2  ASN  28          HD21      ASN  28  42.766 -14.671 -14.671
  174    H    LYS  29           HN       LYS  29  40.891 -14.698 -14.698
  175    HA   LYS  29           HA       LYS  29  41.408 -11.984 -11.984
  176   1HB   LYS  29           HB2      LYS  29  39.239 -13.492 -13.492
  177   2HB   LYS  29           HB1      LYS  29  38.900 -11.811 -11.811
  178   1HG   LYS  29           HG2      LYS  29  41.322 -11.430 -11.430
  179   2HG   LYS  29           HG1      LYS  29  40.960 -12.939 -12.939
  180   1HD   LYS  29           HD2      LYS  29  38.658 -11.735 -11.735
  181   2HD   LYS  29           HD1      LYS  29  39.602 -10.274 -10.274
  182   1HE   LYS  29           HE2      LYS  29  40.132 -10.489 -10.489
  183   2HE   LYS  29           HE1      LYS  29  41.305 -11.663 -11.663
  184   1HZ   LYS  29           HZ1      LYS  29  38.758 -12.861 -12.861
  185   2HZ   LYS  29           HZ3      LYS  29  39.206 -12.131 -12.131
  186   3HZ   LYS  29           HZ2      LYS  29  40.224 -13.286 -13.286
  187    H    THR  30           HN       THR  30  41.242 -11.232 -11.232
  188    HA   THR  30           HA       THR  30  38.640 -11.702 -11.702
  189    HB   THR  30           HB       THR  30  41.186 -10.799 -10.799
  190    HG1  THR  30           HG1      THR  30  41.898 -12.792 -12.792
  191   1HG2  THR  30          HG21      THR  30  38.501 -11.748 -11.748
  192   2HG2  THR  30          HG23      THR  30  39.838 -12.422 -12.422
  193   3HG2  THR  30          HG22      THR  30  39.612 -10.674 -10.674
  194    H    LEU  31           HN       LEU  31  38.294  -9.783  -9.783
  195    HA   LEU  31           HA       LEU  31  38.308  -7.290  -7.290
  196   1HB   LEU  31           HB2      LEU  31  36.830  -8.251  -8.251
  197   2HB   LEU  31           HB1      LEU  31  36.908  -6.528  -6.528
  198    HG   LEU  31           HG       LEU  31  35.053  -8.361  -8.361
  199   1HD1  LEU  31          HD11      LEU  31  35.065  -5.779  -5.779
  200   2HD1  LEU  31          HD13      LEU  31  35.716  -5.814  -5.814
  201   3HD1  LEU  31          HD12      LEU  31  34.134  -6.522  -6.522
  202   1HD2  LEU  31          HD23      LEU  31  36.870  -9.193  -9.193
  203   2HD2  LEU  31          HD22      LEU  31  35.453  -8.553  -8.553
  204   3HD2  LEU  31          HD21      LEU  31  36.916  -7.582  -7.582
  205    H    LYS  32           HN       LYS  32  39.909  -8.738  -8.738
  206    HA   LYS  32           HA       LYS  32  40.545  -6.452  -6.452
  207   1HB   LYS  32           HB2      LYS  32  42.365  -8.836  -8.836
  208   2HB   LYS  32           HB1      LYS  32  42.369  -7.752  -7.752
  209   1HG   LYS  32           HG2      LYS  32  40.618  -8.823  -8.823
  210   2HG   LYS  32           HG1      LYS  32  39.738  -8.936  -8.936
  211   1HD   LYS  32           HD2      LYS  32  40.320 -11.183 -11.183
  212   2HD   LYS  32           HD1      LYS  32  41.218 -10.817 -10.817
  213   1HE   LYS  32           HE2      LYS  32  43.222 -10.369 -10.369
  214   2HE   LYS  32           HE1      LYS  32  42.360 -10.325 -10.325
  215   1HZ   LYS  32           HZ2      LYS  32  41.824 -12.676 -12.676
  216   2HZ   LYS  32           HZ1      LYS  32  42.722 -12.705 -12.705
  217   3HZ   LYS  32           HZ3      LYS  32  43.503 -12.417 -12.417
  218    H    LYS  33           HN       LYS  33  43.600  -7.573  -7.573
  219    HA   LYS  33           HA       LYS  33  43.904  -5.621  -5.621
  220   1HB   LYS  33           HB2      LYS  33  44.159  -4.078  -4.078
  221   2HB   LYS  33           HB1      LYS  33  45.066  -5.227  -5.227
  222   1HG   LYS  33           HG2      LYS  33  47.025  -4.948  -4.948
  223   2HG   LYS  33           HG1      LYS  33  46.156  -4.367  -4.367
  224   1HD   LYS  33           HD2      LYS  33  47.425  -2.585  -2.585
  225   2HD   LYS  33           HD1      LYS  33  45.717  -2.244  -2.244
  226   1HE   LYS  33           HE2      LYS  33  45.158  -3.008  -3.008
  227   2HE   LYS  33           HE1      LYS  33  46.824  -3.513  -3.513
  228   1HZ   LYS  33           HZ3      LYS  33  46.598  -0.784  -0.784
  229   2HZ   LYS  33           HZ2      LYS  33  45.790  -1.083  -1.083
  230   3HZ   LYS  33           HZ1      LYS  33  47.444  -1.440  -1.440
  231    H    GLU  34           HN       GLU  34  45.327  -8.096  -8.096
  232    HA   GLU  34           HA       GLU  34  47.882  -8.249  -8.249
  233   1HB   GLU  34           HB2      GLU  34  48.054 -10.427 -10.427
  234   2HB   GLU  34           HB1      GLU  34  47.092  -9.435  -9.435
  235   1HG   GLU  34           HG2      GLU  34  45.037 -10.363 -10.363
  236   2HG   GLU  34           HG1      GLU  34  46.140 -11.568 -11.568
  237    H    ALA  35           HN       ALA  35  44.812  -9.482  -9.482
  238    HA   ALA  35           HA       ALA  35  46.232 -10.913 -10.913
  239   1HB   ALA  35           HB1      ALA  35  44.198 -11.813 -11.813
  240   2HB   ALA  35           HB3      ALA  35  43.268 -11.023 -11.023
  241   3HB   ALA  35           HB2      ALA  35  44.413 -12.302 -12.302
  242    H    LEU  36           HN       LEU  36  43.570  -8.578  -8.578
  243    HA   LEU  36           HA       LEU  36  43.201  -8.073  -8.073
  244   1HB   LEU  36           HB2      LEU  36  42.301  -5.817  -5.817
  245   2HB   LEU  36           HB1      LEU  36  41.504  -7.274  -7.274
  246    HG   LEU  36           HG       LEU  36  43.820  -6.362  -6.362
  247   1HD1  LEU  36          HD12      LEU  36  41.932  -4.452  -4.452
  248   2HD1  LEU  36          HD11      LEU  36  41.447  -4.913  -4.913
  249   3HD1  LEU  36          HD13      LEU  36  43.075  -4.303  -4.303
  250   1HD2  LEU  36          HD22      LEU  36  41.595  -8.074  -8.074
  251   2HD2  LEU  36          HD21      LEU  36  42.737  -7.655  -7.655
  252   3HD2  LEU  36          HD23      LEU  36  41.254  -6.724  -6.724
  253    H    GLU  37           HN       GLU  37  45.490  -6.701  -6.701
  254    HA   GLU  37           HA       GLU  37  46.462  -4.878  -4.878
  255   1HB   GLU  37           HB2      GLU  37  47.052  -5.194  -5.194
  256   2HB   GLU  37           HB1      GLU  37  48.082  -4.206  -4.206
  257   1HG   GLU  37           HG2      GLU  37  45.303  -3.636  -3.636
  258   2HG   GLU  37           HG1      GLU  37  45.624  -3.455  -3.455
  259    H    GLN  38           HN       GLN  38  46.860  -8.010  -8.010
  260    HA   GLN  38           HA       GLN  38  49.764  -8.177  -8.177
  261   1HB   GLN  38           HB2      GLN  38  48.775  -9.899  -9.899
  262   2HB   GLN  38           HB1      GLN  38  47.511 -10.197 -10.197
  263   1HG   GLN  38           HG2      GLN  38  49.149 -11.948 -11.948
  264   2HG   GLN  38           HG1      GLN  38  49.327 -10.865 -10.865
  265   1HE2  GLN  38          HE22      GLN  38  52.388  -9.400  -9.400
  266   2HE2  GLN  38          HE21      GLN  38  50.990  -8.999  -8.999
  267    H    PHE  39           HN       PHE  39  46.818  -9.065  -9.065
  268    HA   PHE  39           HA       PHE  39  48.332  -9.366  -9.366
  269   1HB   PHE  39           HB2      PHE  39  45.631  -9.455  -9.455
  270   2HB   PHE  39           HB1      PHE  39  46.709 -10.823 -10.823
  271    HD1  PHE  39           HD1      PHE  39  44.065  -8.775  -8.775
  272    HD2  PHE  39           HD2      PHE  39  46.695 -12.161 -12.161
  273    HE1  PHE  39           HE1      PHE  39  42.721  -9.615  -9.615
  274    HE2  PHE  39           HE2      PHE  39  45.347 -12.981 -12.981
  275    HZ   PHE  39           HZ       PHE  39  43.359 -11.708 -11.708
  276    H    GLY  40           HN       GLY  40  45.678  -7.308  -7.308
  277   1HA   GLY  40           HA2      GLY  40  46.197  -4.825  -4.825
  278   2HA   GLY  40           HA1      GLY  40  46.322  -5.406  -5.406
  279    H    MET  41           HN       MET  41  44.127  -4.737  -4.737
  280    HA   MET  41           HA       MET  41  41.902  -4.292  -4.292
  281   1HB   MET  41           HB2      MET  41  40.492  -6.164  -6.164
  282   2HB   MET  41           HB1      MET  41  41.938  -6.760  -6.760
  283   1HG   MET  41           HG2      MET  41  42.422  -7.944  -7.944
  284   2HG   MET  41           HG1      MET  41  42.670  -6.420  -6.420
  285   1HE   MET  41           HE2      MET  41  41.067  -9.416  -9.416
  286   2HE   MET  41           HE1      MET  41  40.935  -9.568  -9.568
  287   3HE   MET  41           HE3      MET  41  39.476  -9.484  -9.484
  288    H    TYR  42           HN       TYR  42  43.354  -3.193  -3.193
  289    HA   TYR  42           HA       TYR  42  41.137  -3.163  -3.163
  290   1HB   TYR  42           HB2      TYR  42  43.432  -3.832  -3.832
  291   2HB   TYR  42           HB1      TYR  42  44.003  -2.220  -2.220
  292    HD1  TYR  42           HD1      TYR  42  40.631  -2.676  -2.676
  293    HD2  TYR  42           HD2      TYR  42  44.718  -1.692  -1.692
  294    HE1  TYR  42           HE1      TYR  42  39.948  -1.804  -1.804
  295    HE2  TYR  42           HE2      TYR  42  44.031  -0.819  -0.819
  296    HH   TYR  42           HH       TYR  42  41.981   0.095   0.095
  297    H    SER  43           HN       SER  43  41.219  -1.606  -1.606
  298    HA   SER  43           HA       SER  43  41.414   1.175   1.175
  299   1HB   SER  43           HB2      SER  43  41.718   1.894   1.894
  300   2HB   SER  43           HB1      SER  43  42.649   0.397   0.397
  301    HG   SER  43           HG       SER  43  41.441  -0.323  -0.323
  302    H    GLU  44           HN       GLU  44  39.614   2.548   2.548
  303    HA   GLU  44           HA       GLU  44  37.014   1.552   1.552
  304   1HB   GLU  44           HB2      GLU  44  36.330   3.930   3.930
  305   2HB   GLU  44           HB1      GLU  44  37.327   3.775   3.775
  306   1HG   GLU  44           HG2      GLU  44  39.145   3.880   3.880
  307   2HG   GLU  44           HG1      GLU  44  37.931   5.102   5.102
  308    H    ASP  45           HN       ASP  45  38.323   3.173   3.173
  309    HA   ASP  45           HA       ASP  45  36.174   2.681   2.681
  310   1HB   ASP  45           HB2      ASP  45  38.333   3.966   3.966
  311   2HB   ASP  45           HB1      ASP  45  38.989   2.403   2.403
  312    H    ALA  46           HN       ALA  46  38.592   0.401   0.401
  313    HA   ALA  46           HA       ALA  46  38.015  -1.643  -1.643
  314   1HB   ALA  46           HB2      ALA  46  39.630  -1.400  -1.400
  315   2HB   ALA  46           HB1      ALA  46  38.987  -3.016  -3.016
  316   3HB   ALA  46           HB3      ALA  46  39.993  -2.238  -2.238
  317    H    ILE  47           HN       ILE  47  37.452  -1.928  -1.928
  318    HA   ILE  47           HA       ILE  47  35.435  -3.910  -3.910
  319    HB   ILE  47           HB       ILE  47  36.724  -3.411  -3.411
  320   1HG1  ILE  47          HG12      ILE  47  33.706  -3.284  -3.284
  321   2HG1  ILE  47          HG11      ILE  47  34.719  -4.719  -4.719
  322   1HG2  ILE  47          HG22      ILE  47  36.060  -0.810  -0.810
  323   2HG2  ILE  47          HG21      ILE  47  34.886  -1.241  -1.241
  324   3HG2  ILE  47          HG23      ILE  47  36.611  -1.423  -1.423
  325   1HD1  ILE  47          HD13      ILE  47  35.735  -3.774  -3.774
  326   2HD1  ILE  47          HD12      ILE  47  34.663  -2.383  -2.383
  327   3HD1  ILE  47          HD11      ILE  47  33.992  -3.981  -3.981
  328    H    ILE  48           HN       ILE  48  35.308  -0.589  -0.589
  329    HA   ILE  48           HA       ILE  48  32.524  -0.145  -0.145
  330    HB   ILE  48           HB       ILE  48  34.613   1.366   1.366
  331   1HG1  ILE  48          HG12      ILE  48  32.897   2.068   2.068
  332   2HG1  ILE  48          HG11      ILE  48  34.546   1.475   1.475
  333   1HG2  ILE  48          HG22      ILE  48  31.645   1.756   1.756
  334   2HG2  ILE  48          HG21      ILE  48  32.700   3.168   3.168
  335   3HG2  ILE  48          HG23      ILE  48  32.801   1.982   1.982
  336   1HD1  ILE  48          HD11      ILE  48  33.718   3.978   3.978
  337   2HD1  ILE  48          HD13      ILE  48  34.362   3.979   3.979
  338   3HD1  ILE  48          HD12      ILE  48  35.365   3.429   3.429
  339    H    TYR  49           HN       TYR  49  34.317  -1.139  -1.139
  340    HA   TYR  49           HA       TYR  49  31.817  -1.312  -1.312
  341   1HB   TYR  49           HB2      TYR  49  33.870  -0.497  -0.497
  342   2HB   TYR  49           HB1      TYR  49  34.684  -2.013  -2.013
  343    HD1  TYR  49           HD1      TYR  49  33.770  -4.186  -4.186
  344    HD2  TYR  49           HD2      TYR  49  32.372  -0.347  -0.347
  345    HE1  TYR  49           HE1      TYR  49  32.779  -5.239  -5.239
  346    HE2  TYR  49           HE2      TYR  49  31.377  -1.399  -1.399
  347    HH   TYR  49           HH       TYR  49  30.580  -4.277  -4.277
  348    H    GLN  50           HN       GLN  50  33.733  -3.197  -3.197
  349    HA   GLN  50           HA       GLN  50  32.875  -5.756  -5.756
  350   1HB   GLN  50           HB2      GLN  50  34.996  -6.073  -6.073
  351   2HB   GLN  50           HB1      GLN  50  34.795  -4.863  -4.863
  352   1HG   GLN  50           HG2      GLN  50  34.803  -6.741  -6.741
  353   2HG   GLN  50           HG1      GLN  50  33.087  -6.695  -6.695
  354   1HE2  GLN  50          HE22      GLN  50  35.248  -9.276  -9.276
  355   2HE2  GLN  50          HE21      GLN  50  35.834  -7.706  -7.706
  356    H    VAL  51           HN       VAL  51  31.819  -3.417  -3.417
  357    HA   VAL  51           HA       VAL  51  30.052  -5.283  -5.283
  358    HB   VAL  51           HB       VAL  51  30.530  -2.301  -2.301
  359   1HG1  VAL  51          HG12      VAL  51  28.604  -4.132  -4.132
  360   2HG1  VAL  51          HG11      VAL  51  29.190  -2.653  -2.653
  361   3HG1  VAL  51          HG13      VAL  51  28.286  -2.569  -2.569
  362   1HG2  VAL  51          HG23      VAL  51  32.183  -4.219  -4.219
  363   2HG2  VAL  51          HG22      VAL  51  31.894  -2.767  -2.767
  364   3HG2  VAL  51          HG21      VAL  51  31.043  -4.263  -4.263
  365    H    GLN  52           HN       GLN  52  29.847  -2.465  -2.465
  366    HA   GLN  52           HA       GLN  52  27.018  -2.226  -2.226
  367   1HB   GLN  52           HB2      GLN  52  29.272  -1.100  -1.100
  368   2HB   GLN  52           HB1      GLN  52  28.073  -1.548  -1.548
  369   1HG   GLN  52           HG2      GLN  52  26.368  -0.397  -0.397
  370   2HG   GLN  52           HG1      GLN  52  27.786   0.395   0.395
  371   1HE2  GLN  52          HE22      GLN  52  28.536   1.709   1.709
  372   2HE2  GLN  52          HE21      GLN  52  29.324   0.588   0.588
  373    H    HIS  53           HN       HIS  53  29.026  -4.693  -4.693
  374    HA   HIS  53           HA       HIS  53  26.762  -5.856  -5.856
  375   1HB   HIS  53           HB2      HIS  53  29.112  -5.966  -5.966
  376   2HB   HIS  53           HB1      HIS  53  27.468  -5.580  -5.580
  377    HD1  HIS  53           HD1      HIS  53  27.626  -3.393  -3.393
  378    HD2  HIS  53           HD2      HIS  53  29.979  -3.416  -3.416
  379    HE1  HIS  53           HE1      HIS  53  28.656  -1.087  -1.087
  380    H    GLY  54           HN       GLY  54  28.530  -6.458  -6.458
  381   1HA   GLY  54           HA2      GLY  54  29.851  -8.244  -8.244
  382   2HA   GLY  54           HA1      GLY  54  28.932  -9.198  -9.198
  383    H    LYS  55           HN       LYS  55  30.368 -10.293 -10.293
  384    HA   LYS  55           HA       LYS  55  31.854  -9.699  -9.699
  385   1HB   LYS  55           HB2      LYS  55  33.166  -8.499  -8.499
  386   2HB   LYS  55           HB1      LYS  55  34.221  -9.616  -9.616
  387   1HG   LYS  55           HG2      LYS  55  34.129  -7.115  -7.115
  388   2HG   LYS  55           HG1      LYS  55  34.161  -8.412  -8.412
  389   1HD   LYS  55           HD2      LYS  55  31.422  -7.894  -7.894
  390   2HD   LYS  55           HD1      LYS  55  32.204  -6.364  -6.364
  391   1HE   LYS  55           HE2      LYS  55  32.927  -7.190  -7.190
  392   2HE   LYS  55           HE1      LYS  55  32.402  -8.827  -8.827
  393   1HZ   LYS  55           HZ1      LYS  55  30.453  -6.632  -6.632
  394   2HZ   LYS  55           HZ3      LYS  55  30.890  -7.271  -7.271
  395   3HZ   LYS  55           HZ2      LYS  55  30.206  -8.281  -8.281
  396    H    ASN  56           HN       ASN  56  32.358 -11.657 -11.657
  397    HA   ASN  56           HA       ASN  56  33.060 -13.882 -13.882
  398   1HB   ASN  56           HB2      ASN  56  34.119 -13.394 -13.394
  399   2HB   ASN  56           HB1      ASN  56  34.563 -14.721 -14.721
  400   1HD2  ASN  56          HD22      ASN  56  36.302 -11.076 -11.076
  401   2HD2  ASN  56          HD21      ASN  56  35.126 -11.348 -11.348
  402    H    ALA  57           HN       ALA  57  32.493 -13.804 -13.804
  403    HA   ALA  57           HA       ALA  57  29.959 -15.311 -15.311
  404   1HB   ALA  57           HB2      ALA  57  32.384 -16.153 -16.153
  405   2HB   ALA  57           HB1      ALA  57  30.942 -16.262 -16.262
  406   3HB   ALA  57           HB3      ALA  57  31.007 -17.117 -17.117
  407    H    MET  58           HN       MET  58  30.938 -12.463 -12.463
  408    HA   MET  58           HA       MET  58  29.681 -12.311 -12.311
  409   1HB   MET  58           HB2      MET  58  31.746 -11.031 -11.031
  410   2HB   MET  58           HB1      MET  58  30.865 -10.113 -10.113
  411   1HG   MET  58           HG2      MET  58  29.291  -9.333  -9.333
  412   2HG   MET  58           HG1      MET  58  30.197 -10.246 -10.246
  413   1HE   MET  58           HE2      MET  58  29.905  -7.913  -7.913
  414   2HE   MET  58           HE1      MET  58  30.830  -6.471  -6.471
  415   3HE   MET  58           HE3      MET  58  29.462  -6.970  -6.970
  416    HA   PRO  59           HA       PRO  59  25.739 -11.326 -11.326
  417   1HB   PRO  59           HB2      PRO  59  24.678 -10.234 -10.234
  418   2HB   PRO  59           HB1      PRO  59  24.848 -11.969 -11.969
  419   1HG   PRO  59           HG2      PRO  59  26.445 -10.165 -10.165
  420   2HG   PRO  59           HG1      PRO  59  26.169 -11.906 -11.906
  421   1HD   PRO  59           HD2      PRO  59  28.493 -10.677 -10.677
  422   2HD   PRO  59           HD1      PRO  59  28.085 -12.387 -12.387
  423    H    ALA  60           HN       ALA  60  26.040  -9.672  -9.672
  424    HA   ALA  60           HA       ALA  60  26.660  -6.981  -6.981
  425   1HB   ALA  60           HB1      ALA  60  24.741  -8.428  -8.428
  426   2HB   ALA  60           HB3      ALA  60  24.938  -6.679  -6.679
  427   3HB   ALA  60           HB2      ALA  60  26.315  -7.740  -7.740
  428    H    PHE  61           HN       PHE  61  25.756  -5.500  -5.500
  429    HA   PHE  61           HA       PHE  61  23.048  -5.984  -5.984
  430   1HB   PHE  61           HB2      PHE  61  25.186  -3.977  -3.977
  431   2HB   PHE  61           HB1      PHE  61  23.560  -3.913  -3.913
  432    HD1  PHE  61           HD1      PHE  61  22.655  -6.240  -6.240
  433    HD2  PHE  61           HD2      PHE  61  26.804  -5.244  -5.244
  434    HE1  PHE  61           HE1      PHE  61  23.272  -8.018  -8.018
  435    HE2  PHE  61           HE2      PHE  61  27.421  -7.022  -7.022
  436    HZ   PHE  61           HZ       PHE  61  25.655  -8.409  -8.409
  437    H    ALA  62           HN       ALA  62  24.840  -3.406  -3.406
  438    HA   ALA  62           HA       ALA  62  23.940  -1.431  -1.431
  439   1HB   ALA  62           HB3      ALA  62  23.493  -3.925  -3.925
  440   2HB   ALA  62           HB2      ALA  62  22.357  -2.664  -2.664
  441   3HB   ALA  62           HB1      ALA  62  24.092  -2.375  -2.375
  442    H    GLY  63           HN       GLY  63  22.353  -1.986  -1.986
  443   1HA   GLY  63           HA2      GLY  63  20.054  -0.460  -0.460
  444   2HA   GLY  63           HA1      GLY  63  19.550  -2.130  -2.130
  445    H    ARG  64           HN       ARG  64  21.662  -3.045  -3.045
  446    HA   ARG  64           HA       ARG  64  19.980  -2.620  -2.620
  447   1HB   ARG  64           HB2      ARG  64  20.743  -4.946  -4.946
  448   2HB   ARG  64           HB1      ARG  64  22.384  -4.447  -4.447
  449   1HG   ARG  64           HG2      ARG  64  20.117  -4.149  -4.149
  450   2HG   ARG  64           HG1      ARG  64  20.972  -5.682  -5.682
  451   1HD   ARG  64           HD2      ARG  64  22.675  -4.893  -4.893
  452   2HD   ARG  64           HD1      ARG  64  22.898  -3.553  -3.553
  453    HE   ARG  64           HE       ARG  64  21.979  -2.217  -2.217
  454   1HH1  ARG  64          HH11      ARG  64  20.868  -5.460  -5.460
  455   2HH1  ARG  64          HH12      ARG  64  19.644  -5.091  -5.091
  456   1HH2  ARG  64          HH21      ARG  64  20.263  -1.679  -1.679
  457   2HH2  ARG  64          HH22      ARG  64  19.303  -2.951  -2.951
  458    H    LEU  65           HN       LEU  65  23.123  -1.979  -1.979
  459    HA   LEU  65           HA       LEU  65  24.102  -0.761  -0.761
  460   1HB   LEU  65           HB2      LEU  65  25.265  -1.530  -1.530
  461   2HB   LEU  65           HB1      LEU  65  26.009  -0.176  -0.176
  462    HG   LEU  65           HG       LEU  65  26.902  -2.581  -2.581
  463   1HD1  LEU  65          HD11      LEU  65  27.121  -0.297  -0.297
  464   2HD1  LEU  65          HD13      LEU  65  26.160  -1.177  -1.177
  465   3HD1  LEU  65          HD12      LEU  65  27.723  -1.810  -1.810
  466   1HD2  LEU  65          HD23      LEU  65  24.434  -3.329  -3.329
  467   2HD2  LEU  65          HD22      LEU  65  25.710  -3.950  -3.950
  468   3HD2  LEU  65          HD21      LEU  65  24.683  -2.627  -2.627
  469    H    THR  66           HN       THR  66  22.764   1.071   1.071
  470    HA   THR  66           HA       THR  66  21.774   2.831   2.831
  471    HB   THR  66           HB       THR  66  23.063   3.492   3.492
  472    HG1  THR  66           HG1      THR  66  21.270   2.560   2.560
  473   1HG2  THR  66          HG21      THR  66  21.394   5.214   5.214
  474   2HG2  THR  66          HG23      THR  66  21.757   5.611   5.611
  475   3HG2  THR  66          HG22      THR  66  23.061   5.506   5.506
  476    H    ASP  67           HN       ASP  67  22.715   5.085   5.085
  477    HA   ASP  67           HA       ASP  67  25.061   4.739   4.739
  478   1HB   ASP  67           HB2      ASP  67  25.104   7.397   7.397
  479   2HB   ASP  67           HB1      ASP  67  23.882   6.584   6.584
  480    H    GLU  68           HN       GLU  68  24.695   6.706   6.706
  481    HA   GLU  68           HA       GLU  68  27.472   7.062   7.062
  482   1HB   GLU  68           HB2      GLU  68  25.222   6.908   6.908
  483   2HB   GLU  68           HB1      GLU  68  26.759   7.761   7.761
  484   1HG   GLU  68           HG2      GLU  68  25.701   8.752   8.752
  485   2HG   GLU  68           HG1      GLU  68  24.310   8.639   8.639
  486    H    GLN  69           HN       GLN  69  25.936   4.183   4.183
  487    HA   GLN  69           HA       GLN  69  27.327   2.891   2.891
  488   1HB   GLN  69           HB2      GLN  69  24.887   2.421   2.421
  489   2HB   GLN  69           HB1      GLN  69  25.847   0.967   0.967
  490   1HG   GLN  69           HG2      GLN  69  24.375   1.116   1.116
  491   2HG   GLN  69           HG1      GLN  69  25.954   1.647   1.647
  492   1HE2  GLN  69          HE22      GLN  69  24.884   5.110   5.110
  493   2HE2  GLN  69          HE21      GLN  69  26.238   4.181   4.181
  494    H    ILE  70           HN       ILE  70  26.880   2.622   2.622
  495    HA   ILE  70           HA       ILE  70  28.755   0.498   0.498
  496    HB   ILE  70           HB       ILE  70  28.355   2.881   2.881
  497   1HG1  ILE  70          HG12      ILE  70  26.228   1.676   1.676
  498   2HG1  ILE  70          HG11      ILE  70  26.640   1.563   1.563
  499   1HG2  ILE  70          HG23      ILE  70  30.328   1.152   1.152
  500   2HG2  ILE  70          HG22      ILE  70  29.069   0.084   0.084
  501   3HG2  ILE  70          HG21      ILE  70  29.410   1.612   1.612
  502   1HD1  ILE  70          HD11      ILE  70  27.318  -0.545  -0.545
  503   2HD1  ILE  70          HD13      ILE  70  25.945  -0.631  -0.631
  504   3HD1  ILE  70          HD12      ILE  70  27.589  -0.663  -0.663
  505    H    GLN  71           HN       GLN  71  28.974   3.788   3.788
  506    HA   GLN  71           HA       GLN  71  31.853   3.995   3.995
  507   1HB   GLN  71           HB2      GLN  71  29.601   5.781   5.781
  508   2HB   GLN  71           HB1      GLN  71  31.263   6.253   6.253
  509   1HG   GLN  71           HG2      GLN  71  30.582   7.229   7.229
  510   2HG   GLN  71           HG1      GLN  71  31.765   5.963   5.963
  511   1HE2  GLN  71          HE22      GLN  71  27.948   5.557   5.557
  512   2HE2  GLN  71          HE21      GLN  71  28.403   6.899   6.899
  513    H    ASP  72           HN       ASP  72  29.634   4.678   4.678
  514    HA   ASP  72           HA       ASP  72  31.376   4.610   4.610
  515   1HB   ASP  72           HB2      ASP  72  28.481   3.871   3.871
  516   2HB   ASP  72           HB1      ASP  72  29.290   3.673   3.673
  517    H    VAL  73           HN       VAL  73  29.310   1.881   1.881
  518    HA   VAL  73           HA       VAL  73  30.336  -0.074  -0.074
  519    HB   VAL  73           HB       VAL  73  28.501  -0.256  -0.256
  520   1HG1  VAL  73          HG11      VAL  73  30.486   0.207   0.207
  521   2HG1  VAL  73          HG13      VAL  73  30.569  -1.553  -1.553
  522   3HG1  VAL  73          HG12      VAL  73  29.067  -0.757  -0.757
  523   1HG2  VAL  73          HG21      VAL  73  30.517  -2.416  -2.416
  524   2HG2  VAL  73          HG23      VAL  73  28.986  -2.113  -2.113
  525   3HG2  VAL  73          HG22      VAL  73  28.996  -2.737  -2.737
  526    H    ALA  74           HN       ALA  74  31.853   1.369   1.369
  527    HA   ALA  74           HA       ALA  74  34.028  -0.610  -0.610
  528   1HB   ALA  74           HB1      ALA  74  33.639   2.100   2.100
  529   2HB   ALA  74           HB3      ALA  74  35.035   1.061   1.061
  530   3HB   ALA  74           HB2      ALA  74  33.421   0.516   0.516
  531    H    ALA  75           HN       ALA  75  34.248   2.953   2.953
  532    HA   ALA  75           HA       ALA  75  36.716   3.027   3.027
  533   1HB   ALA  75           HB2      ALA  75  34.246   4.689   4.689
  534   2HB   ALA  75           HB1      ALA  75  35.321   4.894   4.894
  535   3HB   ALA  75           HB3      ALA  75  35.926   5.180   5.180
  536    H    TYR  76           HN       TYR  76  33.674   1.860   1.860
  537    HA   TYR  76           HA       TYR  76  33.953   1.735   1.735
  538   1HB   TYR  76           HB2      TYR  76  31.799   1.346   1.346
  539   2HB   TYR  76           HB1      TYR  76  32.493  -0.105  -0.105
  540    HD1  TYR  76           HD1      TYR  76  33.833  -0.771  -0.771
  541    HD2  TYR  76           HD2      TYR  76  29.998  -0.056  -0.056
  542    HE1  TYR  76           HE1      TYR  76  32.886  -2.124  -2.124
  543    HE2  TYR  76           HE2      TYR  76  29.062  -1.426  -1.426
  544    HH   TYR  76           HH       TYR  76  30.888  -3.415  -3.415
  545    H    VAL  77           HN       VAL  77  34.547  -0.783  -0.783
  546    HA   VAL  77           HA       VAL  77  35.880  -2.547  -2.547
  547    HB   VAL  77           HB       VAL  77  35.125  -3.395  -3.395
  548   1HG1  VAL  77          HG12      VAL  77  36.753  -1.120  -1.120
  549   2HG1  VAL  77          HG11      VAL  77  36.468  -2.513  -2.513
  550   3HG1  VAL  77          HG13      VAL  77  35.103  -1.590  -1.590
  551   1HG2  VAL  77          HG22      VAL  77  37.929  -3.547  -3.547
  552   2HG2  VAL  77          HG21      VAL  77  36.891  -4.814  -4.814
  553   3HG2  VAL  77          HG23      VAL  77  37.741  -3.728  -3.728
  554    H    LEU  78           HN       LEU  78  36.901   0.296   0.296
  555    HA   LEU  78           HA       LEU  78  39.760  -0.182  -0.182
  556   1HB   LEU  78           HB2      LEU  78  38.498   2.527   2.527
  557   2HB   LEU  78           HB1      LEU  78  40.071   1.961   1.961
  558    HG   LEU  78           HG       LEU  78  37.342   1.286   1.286
  559   1HD1  LEU  78          HD11      LEU  78  39.225   3.139   3.139
  560   2HD1  LEU  78          HD13      LEU  78  39.682   1.771   1.771
  561   3HD1  LEU  78          HD12      LEU  78  38.052   2.437   2.437
  562   1HD2  LEU  78          HD21      LEU  78  38.594  -0.839  -0.839
  563   2HD2  LEU  78          HD23      LEU  78  38.375  -0.470  -0.470
  564   3HD2  LEU  78          HD22      LEU  78  39.934  -0.180  -0.180
  565    H    ASP  79           HN       ASP  79  37.299   0.750   0.750
  566    HA   ASP  79           HA       ASP  79  39.023   2.296   2.296
  567   1HB   ASP  79           HB2      ASP  79  36.427   2.617   2.617
  568   2HB   ASP  79           HB1      ASP  79  36.237   1.637   1.637
  569    H    GLN  80           HN       GLN  80  36.996  -0.577  -0.577
  570    HA   GLN  80           HA       GLN  80  37.453  -1.503  -1.503
  571   1HB   GLN  80           HB2      GLN  80  36.783  -3.131  -3.131
  572   2HB   GLN  80           HB1      GLN  80  36.411  -3.519  -3.519
  573   1HG   GLN  80           HG2      GLN  80  35.292  -1.287  -1.287
  574   2HG   GLN  80           HG1      GLN  80  34.407  -2.629  -2.629
  575   1HE2  GLN  80          HE22      GLN  80  34.294   0.578   0.578
  576   2HE2  GLN  80          HE21      GLN  80  34.177   0.400   0.400
  577    H    ALA  81           HN       ALA  81  39.033  -2.275  -2.275
  578    HA   ALA  81           HA       ALA  81  40.687  -4.373  -4.373
  579   1HB   ALA  81           HB3      ALA  81  40.305  -3.609  -3.609
  580   2HB   ALA  81           HB2      ALA  81  41.581  -2.434  -2.434
  581   3HB   ALA  81           HB1      ALA  81  41.922  -4.158  -4.158
  582    H    ALA  82           HN       ALA  82  41.304  -0.891  -0.891
  583    HA   ALA  82           HA       ALA  82  43.828  -1.157  -1.157
  584   1HB   ALA  82           HB3      ALA  82  42.383   1.066   1.066
  585   2HB   ALA  82           HB2      ALA  82  43.633   1.468   1.468
  586   3HB   ALA  82           HB1      ALA  82  44.035   0.492   0.492
  587    H    LYS  83           HN       LYS  83  40.797  -1.331  -1.331
  588    HA   LYS  83           HA       LYS  83  41.474   0.189   0.189
  589   1HB   LYS  83           HB2      LYS  83  39.761   1.443   1.443
  590   2HB   LYS  83           HB1      LYS  83  38.753  -0.002  -0.002
  591   1HG   LYS  83           HG2      LYS  83  38.178   0.099   0.099
  592   2HG   LYS  83           HG1      LYS  83  39.695   0.872   0.872
  593   1HD   LYS  83           HD2      LYS  83  38.933   2.991   2.991
  594   2HD   LYS  83           HD1      LYS  83  37.849   2.406   2.406
  595   1HE   LYS  83           HE2      LYS  83  37.234   1.530   1.530
  596   2HE   LYS  83           HE1      LYS  83  36.966   3.235   3.235
  597   1HZ   LYS  83           HZ1      LYS  83  35.942   1.954   1.954
  598   2HZ   LYS  83           HZ3      LYS  83  35.502   0.935   0.935
  599   3HZ   LYS  83           HZ2      LYS  83  35.043   2.571   2.571
  600    H    GLY  84           HN       GLY  84  41.316  -2.815  -2.815
  601   1HA   GLY  84           HA2      GLY  84  41.093  -4.763  -4.763
  602   2HA   GLY  84           HA1      GLY  84  40.471  -3.754  -3.754
  603    H    TRP  85           HN       TRP  85  39.652  -5.085  -5.085
  604    HA   TRP  85           HA       TRP  85  36.999  -4.544  -4.544
  605   1HB   TRP  85           HB2      TRP  85  38.619  -7.003  -7.003
  606   2HB   TRP  85           HB1      TRP  85  36.880  -7.250  -7.250
  607    HD1  TRP  85           HD1      TRP  85  39.619  -6.387  -6.387
  608    HE1  TRP  85           HE1      TRP  85  38.694  -5.425  -5.425
  609    HE3  TRP  85           HE3      TRP  85  34.812  -5.492  -5.492
  610    HZ2  TRP  85           HZ2      TRP  85  36.234  -4.434  -4.434
  611    HZ3  TRP  85           HZ3      TRP  85  33.206  -4.508  -4.508
  612    HH2  TRP  85           HH2      TRP  85  33.891  -3.988  -3.988
  613    H    ALA  86           HN       ALA  86  35.941  -4.037  -4.037
  614    HA   ALA  86           HA       ALA  86  35.748  -5.582  -5.582
  615   1HB   ALA  86           HB2      ALA  86  34.642  -3.216  -3.216
  616   2HB   ALA  86           HB1      ALA  86  33.231  -4.267  -4.267
  617   3HB   ALA  86           HB3      ALA  86  34.256  -4.005  -4.005
  618    H    GLY  87           HN       GLY  87  33.910  -5.785  -5.785
  619   1HA   GLY  87           HA2      GLY  87  32.264  -7.333  -7.333
  620   2HA   GLY  87           HA1      GLY  87  33.416  -8.494  -8.494
  621    HHA  HEC  88           HA       HEM  88  35.934 -10.526 -10.526
  622    HHB  HEC  88           HB       HEM  88  33.830  -5.781  -5.781
  623    HHC  HEC  88           HC       HEM  88  28.199  -8.698  -8.698
  624    HHD  HEC  88           HD       HEM  88  30.661 -13.775 -13.775
  625   1HMA  HEC  88          HMA1      HEM  88  37.402  -6.443  -6.443
  626   2HMA  HEC  88          HMA2      HEM  88  35.890  -5.617  -5.617
  627   3HMA  HEC  88          HMA3      HEM  88  36.540  -5.307  -5.307
  628   1HAA  HEC  88          HAA1      HEM  88  37.640  -9.327  -9.327
  629   2HAA  HEC  88          HAA2      HEM  88  38.053  -7.687  -7.687
  630   1HBA  HEC  88          HBA1      HEM  88  36.236  -7.999  -7.999
  631   2HBA  HEC  88          HBA2      HEM  88  37.253  -6.589  -6.589
  632   1HMB  HEC  88          HMB1      HEM  88  31.117  -4.061  -4.061
  633   2HMB  HEC  88          HMB2      HEM  88  32.765  -4.766  -4.766
  634   3HMB  HEC  88          HMB3      HEM  88  31.468  -5.078  -5.078
  635    HAB  HEC  88           HAB      HEM  88  27.958  -6.846  -6.846
  636   1HBB  HEC  88          HBB1      HEM  88  27.843  -4.193  -4.193
  637   2HBB  HEC  88          HBB2      HEM  88  27.961  -5.391  -5.391
  638   3HBB  HEC  88          HBB3      HEM  88  29.435  -4.511  -4.511
  639   1HMC  HEC  88          HMC1      HEM  88  26.413 -12.049 -12.049
  640   2HMC  HEC  88          HMC2      HEM  88  26.350 -10.334 -10.334
  641   3HMC  HEC  88          HMC3      HEM  88  27.005 -10.721 -10.721
  642    HAC  HEC  88           HAC      HEM  88  29.229 -14.358 -14.358
  643   1HBC  HEC  88          HBC1      HEM  88  27.219 -13.845 -13.845
  644   2HBC  HEC  88          HBC2      HEM  88  26.909 -15.150 -15.150
  645   3HBC  HEC  88          HBC3      HEM  88  26.283 -13.484 -13.484
  646   1HMD  HEC  88          HMD1      HEM  88  33.599 -15.362 -15.362
  647   2HMD  HEC  88          HMD2      HEM  88  31.833 -15.017 -15.017
  648   3HMD  HEC  88          HMD3      HEM  88  32.667 -14.691 -14.691
  649   1HAD  HEC  88          HAD1      HEM  88  35.528 -14.098 -14.098
  650   2HAD  HEC  88          HAD2      HEM  88  36.276 -12.469 -12.469
  651   1HBD  HEC  88          HBD1      HEM  88  34.799 -13.633 -13.633
  652   2HBD  HEC  88          HBD2      HEM  88  34.336 -11.938 -11.938

  Start of MODEL   19
    1   1H    ALA   1           HT2      ALA   1  32.641   8.685   8.685
    2   2H    ALA   1           HT1      ALA   1  33.877   9.694   9.694
    3   3H    ALA   1           HT3      ALA   1  32.663   9.149   9.149
    4    HA   ALA   1           HA       ALA   1  31.535  10.991  10.991
    5   1HB   ALA   1           HB3      ALA   1  33.711  11.990  11.990
    6   2HB   ALA   1           HB2      ALA   1  33.420  11.447  11.447
    7   3HB   ALA   1           HB1      ALA   1  32.360  12.652  12.652
    8    H    ASP   2           HN       ASP   2  32.414   9.565   9.565
    9    HA   ASP   2           HA       ASP   2  29.491   9.607   9.607
   10   1HB   ASP   2           HB2      ASP   2  31.835   9.799   9.799
   11   2HB   ASP   2           HB1      ASP   2  30.125   9.811   9.811
   12    H    LEU   3           HN       LEU   3  32.450   7.739   7.739
   13    HA   LEU   3           HA       LEU   3  31.446   5.531   5.531
   14   1HB   LEU   3           HB2      LEU   3  33.618   5.521   5.521
   15   2HB   LEU   3           HB1      LEU   3  33.347   4.267   4.267
   16    HG   LEU   3           HG       LEU   3  33.499   6.762   6.762
   17   1HD1  LEU   3          HD12      LEU   3  35.234   6.582   6.582
   18   2HD1  LEU   3          HD11      LEU   3  36.127   6.839   6.839
   19   3HD1  LEU   3          HD13      LEU   3  34.867   7.974   7.974
   20   1HD2  LEU   3          HD21      LEU   3  35.201   4.282   4.282
   21   2HD2  LEU   3          HD23      LEU   3  34.149   4.773   4.773
   22   3HD2  LEU   3          HD22      LEU   3  35.673   5.616   5.616
   23    H    ALA   4           HN       ALA   4  30.437   6.698   6.698
   24    HA   ALA   4           HA       ALA   4  30.020   4.231   4.231
   25   1HB   ALA   4           HB1      ALA   4  29.624   6.943   6.943
   26   2HB   ALA   4           HB3      ALA   4  27.995   6.270   6.270
   27   3HB   ALA   4           HB2      ALA   4  29.195   5.597   5.597
   28    H    ASN   5           HN       ASN   5  28.709   5.721   5.721
   29    HA   ASN   5           HA       ASN   5  26.094   4.402   4.402
   30   1HB   ASN   5           HB2      ASN   5  27.316   6.579   6.579
   31   2HB   ASN   5           HB1      ASN   5  26.730   5.425   5.425
   32   1HD2  ASN   5          HD22      ASN   5  23.856   6.755   6.755
   33   2HD2  ASN   5          HD21      ASN   5  25.381   6.284   6.284
   34    H    GLY   6           HN       GLY   6  29.014   3.181   3.181
   35   1HA   GLY   6           HA2      GLY   6  28.407   1.468   1.468
   36   2HA   GLY   6           HA1      GLY   6  30.020   1.752   1.752
   37    H    ALA   7           HN       ALA   7  29.290   1.471   1.471
   38    HA   ALA   7           HA       ALA   7  29.568  -1.319  -1.319
   39   1HB   ALA   7           HB3      ALA   7  29.361   1.019   1.019
   40   2HB   ALA   7           HB2      ALA   7  28.379  -0.285  -0.285
   41   3HB   ALA   7           HB1      ALA   7  30.099  -0.541  -0.541
   42    H    LYS   8           HN       LYS   8  26.787   0.460   0.460
   43    HA   LYS   8           HA       LYS   8  24.959  -1.507  -1.507
   44   1HB   LYS   8           HB2      LYS   8  23.288   0.003   0.003
   45   2HB   LYS   8           HB1      LYS   8  24.622   1.135   1.135
   46   1HG   LYS   8           HG2      LYS   8  24.593   0.256   0.256
   47   2HG   LYS   8           HG1      LYS   8  22.916  -0.106  -0.106
   48   1HD   LYS   8           HD2      LYS   8  23.255   2.184   2.184
   49   2HD   LYS   8           HD1      LYS   8  22.524   2.202   2.202
   50   1HE   LYS   8           HE2      LYS   8  25.454   2.200   2.200
   51   2HE   LYS   8           HE1      LYS   8  24.784   3.620   3.620
   52   1HZ   LYS   8           HZ1      LYS   8  23.265   3.067   3.067
   53   2HZ   LYS   8           HZ3      LYS   8  24.903   3.110   3.110
   54   3HZ   LYS   8           HZ2      LYS   8  24.199   4.444   4.444
   55    H    VAL   9           HN       VAL   9  26.486  -0.579  -0.579
   56    HA   VAL   9           HA       VAL   9  25.100  -2.414  -2.414
   57    HB   VAL   9           HB       VAL   9  27.821  -1.180  -1.180
   58   1HG1  VAL   9          HG11      VAL   9  25.469  -1.883  -1.883
   59   2HG1  VAL   9          HG13      VAL   9  26.936  -1.078  -1.078
   60   3HG1  VAL   9          HG12      VAL   9  27.017  -2.724  -2.724
   61   1HG2  VAL   9          HG21      VAL   9  25.114   0.154   0.154
   62   2HG2  VAL   9          HG23      VAL   9  26.459   0.628   0.628
   63   3HG2  VAL   9          HG22      VAL   9  26.591   0.806   0.806
   64    H    PHE  10           HN       PHE  10  27.978  -2.478  -2.478
   65    HA   PHE  10           HA       PHE  10  28.788  -5.080  -5.080
   66   1HB   PHE  10           HB2      PHE  10  30.522  -3.363  -3.363
   67   2HB   PHE  10           HB1      PHE  10  30.174  -3.198  -3.198
   68    HD1  PHE  10           HD1      PHE  10  30.565  -5.112  -5.112
   69    HD2  PHE  10           HD2      PHE  10  31.909  -5.143  -5.143
   70    HE1  PHE  10           HE1      PHE  10  32.116  -6.948  -6.948
   71    HE2  PHE  10           HE2      PHE  10  33.469  -6.992  -6.992
   72    HZ   PHE  10           HZ       PHE  10  33.582  -7.891  -7.891
   73    H    SER  11           HN       SER  11  27.695  -3.619  -3.619
   74    HA   SER  11           HA       SER  11  27.968  -6.158  -6.158
   75   1HB   SER  11           HB2      SER  11  28.187  -3.743  -3.743
   76   2HB   SER  11           HB1      SER  11  26.423  -3.777  -3.777
   77    HG   SER  11           HG       SER  11  26.832  -5.942  -5.942
   78    H    GLY  12           HN       GLY  12  25.989  -5.382  -5.382
   79   1HA   GLY  12           HA2      GLY  12  23.769  -6.923  -6.923
   80   2HA   GLY  12           HA1      GLY  12  23.387  -5.382  -5.382
   81    H    ASN  13           HN       ASN  13  25.888  -6.442  -6.442
   82    HA   ASN  13           HA       ASN  13  24.301  -8.353  -8.353
   83   1HB   ASN  13           HB2      ASN  13  25.499  -5.989  -5.989
   84   2HB   ASN  13           HB1      ASN  13  24.167  -7.033  -7.033
   85   1HD2  ASN  13          HD22      ASN  13  23.361  -4.099  -4.099
   86   2HD2  ASN  13          HD21      ASN  13  24.925  -4.775  -4.775
   87    H    CYS  14           HN       CYS  14  27.284  -6.384  -6.384
   88    HA   CYS  14           HA       CYS  14  28.809  -8.236  -8.236
   89   1HB   CYS  14           HB2      CYS  14  29.992  -6.375  -6.375
   90   2HB   CYS  14           HB1      CYS  14  30.673  -6.864  -6.864
   91    H    ALA  15           HN       ALA  15  28.103  -8.044  -8.044
   92    HA   ALA  15           HA       ALA  15  30.161  -9.740  -9.740
   93   1HB   ALA  15           HB3      ALA  15  28.549  -8.405  -8.405
   94   2HB   ALA  15           HB2      ALA  15  27.314  -9.606  -9.606
   95   3HB   ALA  15           HB1      ALA  15  28.750 -10.074 -10.074
   96    H    ALA  16           HN       ALA  16  27.140 -10.494 -10.494
   97    HA   ALA  16           HA       ALA  16  26.969 -13.257 -13.257
   98   1HB   ALA  16           HB1      ALA  16  25.191 -12.030 -12.030
   99   2HB   ALA  16           HB3      ALA  16  26.246 -11.908 -11.908
  100   3HB   ALA  16           HB2      ALA  16  25.673 -13.487 -13.487
  101    H    CYS  17           HN       CYS  17  28.886 -11.554 -11.554
  102    HA   CYS  17           HA       CYS  17  30.296 -14.120 -14.120
  103   1HB   CYS  17           HB2      CYS  17  29.764 -11.762 -11.762
  104   2HB   CYS  17           HB1      CYS  17  30.838 -13.080 -13.080
  105    H    HIS  18           HN       HIS  18  30.655 -11.654 -11.654
  106    HA   HIS  18           HA       HIS  18  33.573 -11.602 -11.602
  107   1HB   HIS  18           HB2      HIS  18  31.940  -9.062  -9.062
  108   2HB   HIS  18           HB1      HIS  18  33.685  -9.139  -9.139
  109    HD1  HIS  18           HD1      HIS  18  35.097 -10.002 -10.002
  110    HD2  HIS  18           HD2      HIS  18  31.031  -9.840  -9.840
  111    HE1  HIS  18           HE1      HIS  18  34.893 -10.266 -10.266
  112    H    MET  19           HN       MET  19  31.382 -12.316 -12.316
  113    HA   MET  19           HA       MET  19  31.112 -10.475 -10.475
  114   1HB   MET  19           HB2      MET  19  31.137 -12.664 -12.664
  115   2HB   MET  19           HB1      MET  19  29.841 -12.413 -12.413
  116   1HG   MET  19           HG2      MET  19  30.678 -13.998 -13.998
  117   2HG   MET  19           HG1      MET  19  32.345 -13.773 -13.773
  118   1HE   MET  19           HE1      MET  19  31.521 -16.312 -16.312
  119   2HE   MET  19           HE3      MET  19  31.152 -17.498 -17.498
  120   3HE   MET  19           HE2      MET  19  29.859 -16.538 -16.538
  121    H    GLY  20           HN       GLY  20  32.383 -10.016 -10.016
  122   1HA   GLY  20           HA2      GLY  20  34.464  -9.529  -9.529
  123   2HA   GLY  20           HA1      GLY  20  34.724 -11.270 -11.270
  124    H    GLY  21           HN       GLY  21  34.251  -9.040  -9.040
  125   1HA   GLY  21           HA2      GLY  21  35.569  -8.687  -8.687
  126   2HA   GLY  21           HA1      GLY  21  36.860  -8.423  -8.423
  127    H    GLY  22           HN       GLY  22  35.016 -11.317 -11.317
  128   1HA   GLY  22           HA2      GLY  22  37.606 -12.581 -12.581
  129   2HA   GLY  22           HA1      GLY  22  36.516 -13.432 -13.432
  130    H    ASN  23           HN       ASN  23  37.413 -13.322 -13.322
  131    HA   ASN  23           HA       ASN  23  34.929 -13.357 -13.357
  132   1HB   ASN  23           HB2      ASN  23  37.417 -13.261 -13.261
  133   2HB   ASN  23           HB1      ASN  23  37.272 -15.021 -15.021
  134   1HD2  ASN  23          HD22      ASN  23  34.847 -12.855 -12.855
  135   2HD2  ASN  23          HD21      ASN  23  35.389 -12.130 -12.130
  136    H    VAL  24           HN       VAL  24  33.752 -15.239 -15.239
  137    HA   VAL  24           HA       VAL  24  34.184 -17.680 -17.680
  138    HB   VAL  24           HB       VAL  24  31.812 -17.983 -17.983
  139   1HG1  VAL  24          HG11      VAL  24  33.088 -15.514 -15.514
  140   2HG1  VAL  24          HG13      VAL  24  31.367 -15.252 -15.252
  141   3HG1  VAL  24          HG12      VAL  24  31.891 -16.483 -16.483
  142   1HG2  VAL  24          HG21      VAL  24  31.321 -17.264 -17.264
  143   2HG2  VAL  24          HG23      VAL  24  30.212 -16.561 -16.561
  144   3HG2  VAL  24          HG22      VAL  24  31.521 -15.587 -15.587
  145    H    VAL  25           HN       VAL  25  33.626 -16.385 -16.385
  146    HA   VAL  25           HA       VAL  25  33.237 -19.141 -19.141
  147    HB   VAL  25           HB       VAL  25  33.027 -16.534 -16.534
  148   1HG1  VAL  25          HG11      VAL  25  32.103 -19.379 -19.379
  149   2HG1  VAL  25          HG13      VAL  25  31.569 -18.007 -18.007
  150   3HG1  VAL  25          HG12      VAL  25  33.272 -18.462 -18.462
  151   1HG2  VAL  25          HG22      VAL  25  30.964 -18.075 -18.075
  152   2HG2  VAL  25          HG21      VAL  25  31.391 -16.371 -16.371
  153   3HG2  VAL  25          HG23      VAL  25  30.522 -16.940 -16.940
  154    H    MET  26           HN       MET  26  34.935 -16.238 -16.238
  155    HA   MET  26           HA       MET  26  36.792 -17.561 -17.561
  156   1HB   MET  26           HB2      MET  26  36.577 -14.938 -14.938
  157   2HB   MET  26           HB1      MET  26  38.259 -15.478 -15.478
  158   1HG   MET  26           HG2      MET  26  36.389 -15.358 -15.358
  159   2HG   MET  26           HG1      MET  26  37.782 -14.318 -14.318
  160   1HE   MET  26           HE2      MET  26  36.308 -16.803 -16.803
  161   2HE   MET  26           HE1      MET  26  37.533 -17.814 -17.814
  162   3HE   MET  26           HE3      MET  26  36.843 -18.279 -18.279
  163    H    ALA  27           HN       ALA  27  36.915 -17.054 -17.054
  164    HA   ALA  27           HA       ALA  27  38.156 -18.224 -18.224
  165   1HB   ALA  27           HB3      ALA  27  37.722 -20.141 -20.141
  166   2HB   ALA  27           HB2      ALA  27  39.421 -19.899 -19.899
  167   3HB   ALA  27           HB1      ALA  27  38.967 -20.357 -20.357
  168    H    ASN  28           HN       ASN  28  39.156 -15.838 -15.838
  169    HA   ASN  28           HA       ASN  28  41.815 -15.810 -15.810
  170   1HB   ASN  28           HB2      ASN  28  43.156 -15.857 -15.857
  171   2HB   ASN  28           HB1      ASN  28  42.085 -17.253 -17.253
  172   1HD2  ASN  28          HD22      ASN  28  40.057 -15.671 -15.671
  173   2HD2  ASN  28          HD21      ASN  28  39.904 -16.682 -16.682
  174    H    LYS  29           HN       LYS  29  39.515 -14.494 -14.494
  175    HA   LYS  29           HA       LYS  29  40.662 -11.808 -11.808
  176   1HB   LYS  29           HB2      LYS  29  38.552 -13.209 -13.209
  177   2HB   LYS  29           HB1      LYS  29  38.064 -11.586 -11.586
  178   1HG   LYS  29           HG2      LYS  29  39.138 -11.341 -11.341
  179   2HG   LYS  29           HG1      LYS  29  40.315 -10.793 -10.793
  180   1HD   LYS  29           HD2      LYS  29  41.714 -12.566 -12.566
  181   2HD   LYS  29           HD1      LYS  29  40.380 -13.691 -13.691
  182   1HE   LYS  29           HE2      LYS  29  40.191 -11.904 -11.904
  183   2HE   LYS  29           HE1      LYS  29  41.924 -12.173 -12.173
  184   1HZ   LYS  29           HZ3      LYS  29  39.921 -14.357 -14.357
  185   2HZ   LYS  29           HZ2      LYS  29  40.779 -13.797 -13.797
  186   3HZ   LYS  29           HZ1      LYS  29  41.610 -14.509 -14.509
  187    H    THR  30           HN       THR  30  40.596 -11.704 -11.704
  188    HA   THR  30           HA       THR  30  37.960 -11.517 -11.517
  189    HB   THR  30           HB       THR  30  39.919 -12.435 -12.435
  190    HG1  THR  30           HG1      THR  30  38.171 -11.193 -11.193
  191   1HG2  THR  30          HG21      THR  30  40.973  -9.644  -9.644
  192   2HG2  THR  30          HG23      THR  30  41.618 -10.704 -10.704
  193   3HG2  THR  30          HG22      THR  30  41.725 -11.176 -11.176
  194    H    LEU  31           HN       LEU  31  37.902  -9.402  -9.402
  195    HA   LEU  31           HA       LEU  31  37.977  -7.103  -7.103
  196   1HB   LEU  31           HB2      LEU  31  36.381  -7.805  -7.805
  197   2HB   LEU  31           HB1      LEU  31  36.601  -6.098  -6.098
  198    HG   LEU  31           HG       LEU  31  34.687  -7.889  -7.889
  199   1HD1  LEU  31          HD12      LEU  31  35.070  -5.187  -5.187
  200   2HD1  LEU  31          HD11      LEU  31  35.181  -5.434  -5.434
  201   3HD1  LEU  31          HD13      LEU  31  33.737  -5.951  -5.951
  202   1HD2  LEU  31          HD21      LEU  31  36.651  -8.556  -8.556
  203   2HD2  LEU  31          HD23      LEU  31  35.123  -8.107  -8.107
  204   3HD2  LEU  31          HD22      LEU  31  36.453  -6.951  -6.951
  205    H    LYS  32           HN       LYS  32  39.573  -8.284  -8.284
  206    HA   LYS  32           HA       LYS  32  40.300  -5.778  -5.778
  207   1HB   LYS  32           HB2      LYS  32  42.431  -7.131  -7.131
  208   2HB   LYS  32           HB1      LYS  32  40.854  -7.562  -7.562
  209   1HG   LYS  32           HG2      LYS  32  41.304  -8.916  -8.916
  210   2HG   LYS  32           HG1      LYS  32  42.620  -9.248  -9.248
  211   1HD   LYS  32           HD2      LYS  32  39.731  -9.419  -9.419
  212   2HD   LYS  32           HD1      LYS  32  40.558 -10.794 -10.794
  213   1HE   LYS  32           HE2      LYS  32  42.108  -9.494  -9.494
  214   2HE   LYS  32           HE1      LYS  32  40.585 -10.183 -10.183
  215   1HZ   LYS  32           HZ3      LYS  32  41.353 -12.186 -12.186
  216   2HZ   LYS  32           HZ2      LYS  32  42.898 -11.519 -11.519
  217   3HZ   LYS  32           HZ1      LYS  32  41.961 -11.986 -11.986
  218    H    LYS  33           HN       LYS  33  43.130  -7.494  -7.494
  219    HA   LYS  33           HA       LYS  33  43.526  -5.892  -5.892
  220   1HB   LYS  33           HB2      LYS  33  45.339  -4.486  -4.486
  221   2HB   LYS  33           HB1      LYS  33  43.840  -4.156  -4.156
  222   1HG   LYS  33           HG2      LYS  33  44.620  -5.825  -5.825
  223   2HG   LYS  33           HG1      LYS  33  46.186  -5.826  -5.826
  224   1HD   LYS  33           HD2      LYS  33  44.807  -3.354  -3.354
  225   2HD   LYS  33           HD1      LYS  33  46.119  -4.216  -4.216
  226   1HE   LYS  33           HE2      LYS  33  46.439  -3.244  -3.244
  227   2HE   LYS  33           HE1      LYS  33  46.718  -2.154  -2.154
  228   1HZ   LYS  33           HZ1      LYS  33  48.012  -4.808  -4.808
  229   2HZ   LYS  33           HZ3      LYS  33  48.724  -3.365  -3.365
  230   3HZ   LYS  33           HZ2      LYS  33  48.387  -3.581  -3.581
  231    H    GLU  34           HN       GLU  34  45.039  -7.730  -7.730
  232    HA   GLU  34           HA       GLU  34  47.515  -8.373  -8.373
  233   1HB   GLU  34           HB2      GLU  34  45.508  -9.788  -9.788
  234   2HB   GLU  34           HB1      GLU  34  46.640 -10.862 -10.862
  235   1HG   GLU  34           HG2      GLU  34  48.217  -8.753  -8.753
  236   2HG   GLU  34           HG1      GLU  34  47.089  -9.127  -9.127
  237    H    ALA  35           HN       ALA  35  44.463  -9.441  -9.441
  238    HA   ALA  35           HA       ALA  35  45.917 -11.083 -11.083
  239   1HB   ALA  35           HB1      ALA  35  43.714 -11.676 -11.676
  240   2HB   ALA  35           HB3      ALA  35  43.012 -11.297 -11.297
  241   3HB   ALA  35           HB2      ALA  35  44.232 -12.564 -12.564
  242    H    LEU  36           HN       LEU  36  42.994  -9.040  -9.040
  243    HA   LEU  36           HA       LEU  36  42.838  -8.710  -8.710
  244   1HB   LEU  36           HB2      LEU  36  41.485  -6.638  -6.638
  245   2HB   LEU  36           HB1      LEU  36  40.923  -8.130  -8.130
  246    HG   LEU  36           HG       LEU  36  42.905  -6.506  -6.506
  247   1HD1  LEU  36          HD13      LEU  36  40.950  -5.048  -5.048
  248   2HD1  LEU  36          HD12      LEU  36  40.011  -5.773  -5.773
  249   3HD1  LEU  36          HD11      LEU  36  41.442  -4.815  -4.815
  250   1HD2  LEU  36          HD23      LEU  36  41.216  -8.711  -8.711
  251   2HD2  LEU  36          HD22      LEU  36  42.145  -7.835  -7.835
  252   3HD2  LEU  36          HD21      LEU  36  40.477  -7.380  -7.380
  253    H    GLU  37           HN       GLU  37  45.255  -7.506  -7.506
  254    HA   GLU  37           HA       GLU  37  45.774  -5.311  -5.311
  255   1HB   GLU  37           HB2      GLU  37  46.522  -5.746  -5.746
  256   2HB   GLU  37           HB1      GLU  37  47.501  -4.675  -4.675
  257   1HG   GLU  37           HG2      GLU  37  44.658  -4.275  -4.275
  258   2HG   GLU  37           HG1      GLU  37  45.092  -4.009  -4.009
  259    H    GLN  38           HN       GLN  38  46.736  -8.427  -8.427
  260    HA   GLN  38           HA       GLN  38  49.492  -8.171  -8.171
  261   1HB   GLN  38           HB2      GLN  38  47.781 -10.629 -10.629
  262   2HB   GLN  38           HB1      GLN  38  49.526 -10.633 -10.633
  263   1HG   GLN  38           HG2      GLN  38  48.087  -9.233  -9.233
  264   2HG   GLN  38           HG1      GLN  38  49.023 -10.725 -10.725
  265   1HE2  GLN  38          HE22      GLN  38  51.882  -8.366  -8.366
  266   2HE2  GLN  38          HE21      GLN  38  50.912  -9.411  -9.411
  267    H    PHE  39           HN       PHE  39  46.350  -9.303  -9.303
  268    HA   PHE  39           HA       PHE  39  47.456  -9.822  -9.822
  269   1HB   PHE  39           HB2      PHE  39  44.616  -9.735  -9.735
  270   2HB   PHE  39           HB1      PHE  39  45.679 -11.106 -11.106
  271    HD1  PHE  39           HD1      PHE  39  46.340 -12.544 -12.544
  272    HD2  PHE  39           HD2      PHE  39  43.405  -9.432  -9.432
  273    HE1  PHE  39           HE1      PHE  39  45.472 -13.609 -13.609
  274    HE2  PHE  39           HE2      PHE  39  42.543 -10.486 -10.486
  275    HZ   PHE  39           HZ       PHE  39  43.573 -12.583 -12.583
  276    H    GLY  40           HN       GLY  40  45.224  -7.519  -7.519
  277   1HA   GLY  40           HA2      GLY  40  45.617  -5.118  -5.118
  278   2HA   GLY  40           HA1      GLY  40  45.670  -5.730  -5.730
  279    H    MET  41           HN       MET  41  43.603  -4.757  -4.757
  280    HA   MET  41           HA       MET  41  41.352  -4.216  -4.216
  281   1HB   MET  41           HB2      MET  41  39.936  -6.254  -6.254
  282   2HB   MET  41           HB1      MET  41  40.898  -6.410  -6.410
  283   1HG   MET  41           HG2      MET  41  42.614  -6.988  -6.988
  284   2HG   MET  41           HG1      MET  41  41.120  -7.891  -7.891
  285   1HE   MET  41           HE3      MET  41  39.900  -8.135  -8.135
  286   2HE   MET  41           HE2      MET  41  40.607  -8.950  -8.950
  287   3HE   MET  41           HE1      MET  41  40.247  -9.869  -9.869
  288    H    TYR  42           HN       TYR  42  42.712  -3.263  -3.263
  289    HA   TYR  42           HA       TYR  42  40.533  -3.430  -3.430
  290   1HB   TYR  42           HB2      TYR  42  42.673  -4.390  -4.390
  291   2HB   TYR  42           HB1      TYR  42  43.502  -2.897  -2.897
  292    HD1  TYR  42           HD1      TYR  42  40.120  -2.929  -2.929
  293    HD2  TYR  42           HD2      TYR  42  44.311  -2.322  -2.322
  294    HE1  TYR  42           HE1      TYR  42  39.607  -1.889  -1.889
  295    HE2  TYR  42           HE2      TYR  42  43.801  -1.288  -1.288
  296    HH   TYR  42           HH       TYR  42  42.212  -0.626  -0.626
  297    H    SER  43           HN       SER  43  40.701  -1.671  -1.671
  298    HA   SER  43           HA       SER  43  41.295   0.973   0.973
  299   1HB   SER  43           HB2      SER  43  41.901  -0.160  -0.160
  300   2HB   SER  43           HB1      SER  43  40.738   1.133   1.133
  301    HG   SER  43           HG       SER  43  42.865   1.929   1.929
  302    H    GLU  44           HN       GLU  44  39.822   2.763   2.763
  303    HA   GLU  44           HA       GLU  44  37.089   2.201   2.201
  304   1HB   GLU  44           HB2      GLU  44  38.671   4.523   4.523
  305   2HB   GLU  44           HB1      GLU  44  37.033   4.531   4.531
  306   1HG   GLU  44           HG2      GLU  44  36.074   4.353   4.353
  307   2HG   GLU  44           HG1      GLU  44  37.652   4.039   4.039
  308    H    ASP  45           HN       ASP  45  38.270   3.448   3.448
  309    HA   ASP  45           HA       ASP  45  36.082   2.575   2.575
  310   1HB   ASP  45           HB2      ASP  45  37.973   4.110   4.110
  311   2HB   ASP  45           HB1      ASP  45  38.871   2.635   2.635
  312    H    ALA  46           HN       ALA  46  39.002   0.785   0.785
  313    HA   ALA  46           HA       ALA  46  38.567  -1.485  -1.485
  314   1HB   ALA  46           HB3      ALA  46  39.918  -1.312  -1.312
  315   2HB   ALA  46           HB2      ALA  46  40.057  -2.671  -2.671
  316   3HB   ALA  46           HB1      ALA  46  40.708  -1.094  -1.094
  317    H    ILE  47           HN       ILE  47  38.271  -1.556  -1.556
  318    HA   ILE  47           HA       ILE  47  36.564  -3.775  -3.775
  319    HB   ILE  47           HB       ILE  47  36.875  -1.296  -1.296
  320   1HG1  ILE  47          HG12      ILE  47  38.103  -4.022  -4.022
  321   2HG1  ILE  47          HG11      ILE  47  38.925  -2.527  -2.527
  322   1HG2  ILE  47          HG21      ILE  47  35.021  -3.465  -3.465
  323   2HG2  ILE  47          HG23      ILE  47  36.071  -3.227  -3.227
  324   3HG2  ILE  47          HG22      ILE  47  35.087  -1.896  -1.896
  325   1HD1  ILE  47          HD11      ILE  47  37.486  -2.134  -2.134
  326   2HD1  ILE  47          HD13      ILE  47  38.460  -3.598  -3.598
  327   3HD1  ILE  47          HD12      ILE  47  39.224  -2.065  -2.065
  328    H    ILE  48           HN       ILE  48  35.901  -0.570  -0.570
  329    HA   ILE  48           HA       ILE  48  33.044  -0.586  -0.586
  330    HB   ILE  48           HB       ILE  48  34.910   1.254   1.254
  331   1HG1  ILE  48          HG12      ILE  48  32.884   1.819   1.819
  332   2HG1  ILE  48          HG11      ILE  48  34.533   1.305   1.305
  333   1HG2  ILE  48          HG23      ILE  48  31.944   1.063   1.063
  334   2HG2  ILE  48          HG22      ILE  48  32.682   2.662   2.662
  335   3HG2  ILE  48          HG21      ILE  48  33.142   1.530   1.530
  336   1HD1  ILE  48          HD13      ILE  48  35.176   3.272   3.272
  337   2HD1  ILE  48          HD12      ILE  48  33.566   3.867   3.867
  338   3HD1  ILE  48          HD11      ILE  48  34.760   3.625   3.625
  339    H    TYR  49           HN       TYR  49  35.119  -1.351  -1.351
  340    HA   TYR  49           HA       TYR  49  32.954  -1.651  -1.651
  341   1HB   TYR  49           HB2      TYR  49  35.158  -1.271  -1.271
  342   2HB   TYR  49           HB1      TYR  49  35.823  -2.627  -2.627
  343    HD1  TYR  49           HD1      TYR  49  33.296  -1.780  -1.780
  344    HD2  TYR  49           HD2      TYR  49  35.840  -4.793  -4.793
  345    HE1  TYR  49           HE1      TYR  49  32.709  -3.313  -3.313
  346    HE2  TYR  49           HE2      TYR  49  35.252  -6.332  -6.332
  347    HH   TYR  49           HH       TYR  49  33.136  -5.271  -5.271
  348    H    GLN  50           HN       GLN  50  34.367  -3.606  -3.606
  349    HA   GLN  50           HA       GLN  50  33.190  -6.085  -6.085
  350   1HB   GLN  50           HB2      GLN  50  33.860  -6.766  -6.766
  351   2HB   GLN  50           HB1      GLN  50  34.945  -6.903  -6.903
  352   1HG   GLN  50           HG2      GLN  50  34.780  -4.276  -4.276
  353   2HG   GLN  50           HG1      GLN  50  35.607  -5.536  -5.536
  354   1HE2  GLN  50          HE22      GLN  50  37.188  -5.032  -5.032
  355   2HE2  GLN  50          HE21      GLN  50  35.530  -5.345  -5.345
  356    H    VAL  51           HN       VAL  51  32.466  -3.687  -3.687
  357    HA   VAL  51           HA       VAL  51  30.226  -5.188  -5.188
  358    HB   VAL  51           HB       VAL  51  30.761  -2.230  -2.230
  359   1HG1  VAL  51          HG12      VAL  51  28.607  -3.170  -3.170
  360   2HG1  VAL  51          HG11      VAL  51  29.539  -4.236  -4.236
  361   3HG1  VAL  51          HG13      VAL  51  29.626  -2.488  -2.488
  362   1HG2  VAL  51          HG23      VAL  51  32.633  -4.160  -4.160
  363   2HG2  VAL  51          HG22      VAL  51  32.532  -2.598  -2.598
  364   3HG2  VAL  51          HG21      VAL  51  31.786  -4.020  -4.020
  365    H    GLN  52           HN       GLN  52  30.621  -2.586  -2.586
  366    HA   GLN  52           HA       GLN  52  27.819  -2.016  -2.016
  367   1HB   GLN  52           HB2      GLN  52  30.282  -1.140  -1.140
  368   2HB   GLN  52           HB1      GLN  52  28.929  -1.215  -1.215
  369   1HG   GLN  52           HG2      GLN  52  28.441   0.853   0.853
  370   2HG   GLN  52           HG1      GLN  52  27.723  -0.074  -0.074
  371   1HE2  GLN  52          HE22      GLN  52  30.741   0.418   0.418
  372   2HE2  GLN  52          HE21      GLN  52  29.777  -0.891  -0.891
  373    H    HIS  53           HN       HIS  53  29.786  -4.589  -4.589
  374    HA   HIS  53           HA       HIS  53  27.466  -5.578  -5.578
  375   1HB   HIS  53           HB2      HIS  53  29.753  -5.756  -5.756
  376   2HB   HIS  53           HB1      HIS  53  28.111  -5.290  -5.290
  377    HD1  HIS  53           HD1      HIS  53  28.281  -3.070  -3.070
  378    HD2  HIS  53           HD2      HIS  53  30.768  -3.267  -3.267
  379    HE1  HIS  53           HE1      HIS  53  29.348  -0.787  -0.787
  380    H    GLY  54           HN       GLY  54  29.203  -6.376  -6.376
  381   1HA   GLY  54           HA2      GLY  54  30.441  -8.265  -8.265
  382   2HA   GLY  54           HA1      GLY  54  29.411  -9.114  -9.114
  383    H    LYS  55           HN       LYS  55  30.793 -10.328 -10.328
  384    HA   LYS  55           HA       LYS  55  32.226  -9.871  -9.871
  385   1HB   LYS  55           HB2      LYS  55  33.680  -8.655  -8.655
  386   2HB   LYS  55           HB1      LYS  55  34.650  -9.831  -9.831
  387   1HG   LYS  55           HG2      LYS  55  34.549  -7.301  -7.301
  388   2HG   LYS  55           HG1      LYS  55  34.635  -8.633  -8.633
  389   1HD   LYS  55           HD2      LYS  55  31.875  -8.016  -8.016
  390   2HD   LYS  55           HD1      LYS  55  32.702  -6.619  -6.619
  391   1HE   LYS  55           HE2      LYS  55  32.614  -7.514  -7.514
  392   2HE   LYS  55           HE1      LYS  55  33.361  -9.007  -9.007
  393   1HZ   LYS  55           HZ3      LYS  55  30.714  -8.866  -8.866
  394   2HZ   LYS  55           HZ2      LYS  55  30.712  -8.599  -8.599
  395   3HZ   LYS  55           HZ1      LYS  55  31.408 -10.012 -10.012
  396    H    ASN  56           HN       ASN  56  32.923 -11.810 -11.810
  397    HA   ASN  56           HA       ASN  56  33.432 -14.092 -14.092
  398   1HB   ASN  56           HB2      ASN  56  34.643 -13.273 -13.273
  399   2HB   ASN  56           HB1      ASN  56  34.799 -14.900 -14.900
  400   1HD2  ASN  56          HD22      ASN  56  36.950 -11.824 -11.824
  401   2HD2  ASN  56          HD21      ASN  56  35.754 -11.512 -11.512
  402    H    ALA  57           HN       ALA  57  33.105 -14.028 -14.028
  403    HA   ALA  57           HA       ALA  57  30.431 -15.342 -15.342
  404   1HB   ALA  57           HB3      ALA  57  32.389 -16.900 -16.900
  405   2HB   ALA  57           HB2      ALA  57  32.468 -16.051 -16.051
  406   3HB   ALA  57           HB1      ALA  57  31.010 -16.939 -16.939
  407    H    MET  58           HN       MET  58  30.810 -12.582 -12.582
  408    HA   MET  58           HA       MET  58  30.024 -12.298 -12.298
  409   1HB   MET  58           HB2      MET  58  32.192 -11.229 -11.229
  410   2HB   MET  58           HB1      MET  58  31.315 -10.219 -10.219
  411   1HG   MET  58           HG2      MET  58  29.983  -9.275  -9.275
  412   2HG   MET  58           HG1      MET  58  30.858 -10.304 -10.304
  413   1HE   MET  58           HE2      MET  58  30.416  -7.030  -7.030
  414   2HE   MET  58           HE1      MET  58  30.993  -7.539  -7.539
  415   3HE   MET  58           HE3      MET  58  31.902  -6.332  -6.332
  416    HA   PRO  59           HA       PRO  59  26.148 -11.010 -11.010
  417   1HB   PRO  59           HB2      PRO  59  25.218  -9.796  -9.796
  418   2HB   PRO  59           HB1      PRO  59  25.258 -11.544 -11.544
  419   1HG   PRO  59           HG2      PRO  59  27.007  -9.840  -9.840
  420   2HG   PRO  59           HG1      PRO  59  26.627 -11.561 -11.561
  421   1HD   PRO  59           HD2      PRO  59  29.009 -10.458 -10.458
  422   2HD   PRO  59           HD1      PRO  59  28.506 -12.155 -12.155
  423    H    ALA  60           HN       ALA  60  26.469  -9.424  -9.424
  424    HA   ALA  60           HA       ALA  60  27.325  -6.761  -6.761
  425   1HB   ALA  60           HB1      ALA  60  25.553  -8.177  -8.177
  426   2HB   ALA  60           HB3      ALA  60  25.820  -6.438  -6.438
  427   3HB   ALA  60           HB2      ALA  60  27.184  -7.551  -7.551
  428    H    PHE  61           HN       PHE  61  26.392  -5.199  -5.199
  429    HA   PHE  61           HA       PHE  61  23.584  -5.429  -5.429
  430   1HB   PHE  61           HB2      PHE  61  25.736  -3.425  -3.425
  431   2HB   PHE  61           HB1      PHE  61  24.091  -3.380  -3.380
  432    HD1  PHE  61           HD1      PHE  61  26.993  -5.719  -5.719
  433    HD2  PHE  61           HD2      PHE  61  23.584  -4.601  -4.601
  434    HE1  PHE  61           HE1      PHE  61  27.601  -7.429  -7.429
  435    HE2  PHE  61           HE2      PHE  61  24.193  -6.317  -6.317
  436    HZ   PHE  61           HZ       PHE  61  26.204  -7.730  -7.730
  437    H    ALA  62           HN       ALA  62  25.705  -3.050  -3.050
  438    HA   ALA  62           HA       ALA  62  25.112  -1.184  -1.184
  439   1HB   ALA  62           HB3      ALA  62  23.877  -3.649  -3.649
  440   2HB   ALA  62           HB2      ALA  62  23.629  -2.080  -2.080
  441   3HB   ALA  62           HB1      ALA  62  25.262  -2.713  -2.713
  442    H    GLY  63           HN       GLY  63  23.320  -1.670  -1.670
  443   1HA   GLY  63           HA2      GLY  63  21.551   0.142   0.142
  444   2HA   GLY  63           HA1      GLY  63  20.784  -0.545  -0.545
  445    H    ARG  64           HN       ARG  64  22.415  -2.437  -2.437
  446    HA   ARG  64           HA       ARG  64  19.827  -3.774  -3.774
  447   1HB   ARG  64           HB2      ARG  64  21.524  -5.312  -5.312
  448   2HB   ARG  64           HB1      ARG  64  22.731  -4.575  -4.575
  449   1HG   ARG  64           HG2      ARG  64  21.383  -5.304  -5.304
  450   2HG   ARG  64           HG1      ARG  64  20.299  -6.154  -6.154
  451   1HD   ARG  64           HD2      ARG  64  23.104  -6.717  -6.717
  452   2HD   ARG  64           HD1      ARG  64  22.656  -7.177  -7.177
  453    HE   ARG  64           HE       ARG  64  21.723  -8.461  -8.461
  454   1HH1  ARG  64          HH21      ARG  64  19.117  -7.938  -7.938
  455   2HH1  ARG  64          HH22      ARG  64  18.865  -9.144  -9.144
  456   1HH2  ARG  64          HH11      ARG  64  22.229  -9.923  -9.923
  457   2HH2  ARG  64          HH12      ARG  64  20.625 -10.264 -10.264
  458    H    LEU  65           HN       LEU  65  22.827  -2.598  -2.598
  459    HA   LEU  65           HA       LEU  65  21.514  -2.301  -2.301
  460   1HB   LEU  65           HB2      LEU  65  24.249  -1.467  -1.467
  461   2HB   LEU  65           HB1      LEU  65  23.700  -1.256  -1.256
  462    HG   LEU  65           HG       LEU  65  23.413  -3.981  -3.981
  463   1HD1  LEU  65          HD12      LEU  65  26.070  -2.690  -2.690
  464   2HD1  LEU  65          HD11      LEU  65  25.829  -4.437  -4.437
  465   3HD1  LEU  65          HD13      LEU  65  25.621  -3.480  -3.480
  466   1HD2  LEU  65          HD21      LEU  65  23.576  -2.612  -2.612
  467   2HD2  LEU  65          HD23      LEU  65  22.963  -4.225  -4.225
  468   3HD2  LEU  65          HD22      LEU  65  24.685  -3.981  -3.981
  469    H    THR  66           HN       THR  66  22.999   0.318   0.318
  470    HA   THR  66           HA       THR  66  20.845   1.986   1.986
  471    HB   THR  66           HB       THR  66  22.768   3.367   3.367
  472    HG1  THR  66           HG1      THR  66  21.725   2.211   2.211
  473   1HG2  THR  66          HG23      THR  66  19.917   3.218   3.218
  474   2HG2  THR  66          HG22      THR  66  20.233   3.401   3.401
  475   3HG2  THR  66          HG21      THR  66  20.873   4.579   4.579
  476    H    ASP  67           HN       ASP  67  22.126   4.444   4.444
  477    HA   ASP  67           HA       ASP  67  23.832   4.017   4.017
  478   1HB   ASP  67           HB2      ASP  67  22.069   6.120   6.120
  479   2HB   ASP  67           HB1      ASP  67  23.646   6.771   6.771
  480    H    GLU  68           HN       GLU  68  23.939   6.114   6.114
  481    HA   GLU  68           HA       GLU  68  26.815   6.436   6.436
  482   1HB   GLU  68           HB2      GLU  68  25.376   8.120   8.120
  483   2HB   GLU  68           HB1      GLU  68  24.787   6.919   6.919
  484   1HG   GLU  68           HG2      GLU  68  26.757   6.941   6.941
  485   2HG   GLU  68           HG1      GLU  68  27.744   7.319   7.319
  486    H    GLN  69           HN       GLN  69  25.051   3.763   3.763
  487    HA   GLN  69           HA       GLN  69  26.772   2.769   2.769
  488   1HB   GLN  69           HB2      GLN  69  24.088   2.123   2.123
  489   2HB   GLN  69           HB1      GLN  69  24.975   0.812   0.812
  490   1HG   GLN  69           HG2      GLN  69  23.461   2.111   2.111
  491   2HG   GLN  69           HG1      GLN  69  25.153   2.137   2.137
  492   1HE2  GLN  69          HE22      GLN  69  25.620   5.539   5.539
  493   2HE2  GLN  69          HE21      GLN  69  26.431   4.088   4.088
  494    H    ILE  70           HN       ILE  70  25.830   2.298   2.298
  495    HA   ILE  70           HA       ILE  70  27.401  -0.157  -0.157
  496    HB   ILE  70           HB       ILE  70  26.195   1.843   1.843
  497   1HG1  ILE  70          HG12      ILE  70  24.652   0.231   0.231
  498   2HG1  ILE  70          HG11      ILE  70  24.897  -0.171  -0.171
  499   1HG2  ILE  70          HG23      ILE  70  28.363  -0.101  -0.101
  500   2HG2  ILE  70          HG22      ILE  70  27.003  -0.291  -0.291
  501   3HG2  ILE  70          HG21      ILE  70  27.847   1.254   1.254
  502   1HD1  ILE  70          HD13      ILE  70  26.765  -1.740  -1.740
  503   2HD1  ILE  70          HD12      ILE  70  26.103  -1.517  -1.517
  504   3HD1  ILE  70          HD11      ILE  70  25.112  -2.242  -2.242
  505    H    GLN  71           HN       GLN  71  27.828   3.208   3.208
  506    HA   GLN  71           HA       GLN  71  30.485   3.318   3.318
  507   1HB   GLN  71           HB2      GLN  71  28.555   5.245   5.245
  508   2HB   GLN  71           HB1      GLN  71  30.191   5.731   5.731
  509   1HG   GLN  71           HG2      GLN  71  28.940   4.338   4.338
  510   2HG   GLN  71           HG1      GLN  71  27.993   5.742   5.742
  511   1HE2  GLN  71          HE22      GLN  71  31.041   7.880   7.880
  512   2HE2  GLN  71          HE21      GLN  71  30.047   7.487   7.487
  513    H    ASP  72           HN       ASP  72  29.087   4.459   4.459
  514    HA   ASP  72           HA       ASP  72  31.395   4.721   4.721
  515   1HB   ASP  72           HB2      ASP  72  29.283   5.663   5.663
  516   2HB   ASP  72           HB1      ASP  72  28.566   4.054   4.054
  517    H    VAL  73           HN       VAL  73  29.371   1.833   1.833
  518    HA   VAL  73           HA       VAL  73  30.532   0.256   0.256
  519    HB   VAL  73           HB       VAL  73  28.466  -0.312  -0.312
  520   1HG1  VAL  73          HG13      VAL  73  30.052   0.019   0.019
  521   2HG1  VAL  73          HG12      VAL  73  30.189  -1.726  -1.726
  522   3HG1  VAL  73          HG11      VAL  73  28.604  -0.987  -0.987
  523   1HG2  VAL  73          HG22      VAL  73  29.645  -1.899  -1.899
  524   2HG2  VAL  73          HG21      VAL  73  28.855  -2.701  -2.701
  525   3HG2  VAL  73          HG23      VAL  73  30.598  -2.450  -2.450
  526    H    ALA  74           HN       ALA  74  31.726   1.092   1.092
  527    HA   ALA  74           HA       ALA  74  33.824  -0.972  -0.972
  528   1HB   ALA  74           HB1      ALA  74  32.797   0.875   0.875
  529   2HB   ALA  74           HB3      ALA  74  34.551   1.016   1.016
  530   3HB   ALA  74           HB2      ALA  74  33.816  -0.548  -0.548
  531    H    ALA  75           HN       ALA  75  33.774   2.617   2.617
  532    HA   ALA  75           HA       ALA  75  36.420   2.965   2.965
  533   1HB   ALA  75           HB3      ALA  75  33.904   4.560   4.560
  534   2HB   ALA  75           HB2      ALA  75  35.072   5.036   5.036
  535   3HB   ALA  75           HB1      ALA  75  35.544   5.028   5.028
  536    H    TYR  76           HN       TYR  76  33.528   1.801   1.801
  537    HA   TYR  76           HA       TYR  76  33.991   2.241   2.241
  538   1HB   TYR  76           HB2      TYR  76  31.747   1.681   1.681
  539   2HB   TYR  76           HB1      TYR  76  32.339   0.254   0.254
  540    HD1  TYR  76           HD1      TYR  76  31.693   1.692   1.692
  541    HD2  TYR  76           HD2      TYR  76  32.754  -1.789  -1.789
  542    HE1  TYR  76           HE1      TYR  76  31.283   0.397   0.397
  543    HE2  TYR  76           HE2      TYR  76  32.360  -3.154  -3.154
  544    HH   TYR  76           HH       TYR  76  30.937  -2.894  -2.894
  545    H    VAL  77           HN       VAL  77  34.625  -0.493  -0.493
  546    HA   VAL  77           HA       VAL  77  35.818  -2.115  -2.115
  547    HB   VAL  77           HB       VAL  77  35.051  -3.295  -3.295
  548   1HG1  VAL  77          HG11      VAL  77  36.495  -1.265  -1.265
  549   2HG1  VAL  77          HG13      VAL  77  35.828  -2.748  -2.748
  550   3HG1  VAL  77          HG12      VAL  77  34.756  -1.567  -1.567
  551   1HG2  VAL  77          HG22      VAL  77  37.686  -3.534  -3.534
  552   2HG2  VAL  77          HG21      VAL  77  36.875  -4.610  -4.610
  553   3HG2  VAL  77          HG23      VAL  77  37.817  -3.244  -3.244
  554    H    LEU  78           HN       LEU  78  36.867   0.521   0.521
  555    HA   LEU  78           HA       LEU  78  39.732  -0.029  -0.029
  556   1HB   LEU  78           HB2      LEU  78  38.560   2.699   2.699
  557   2HB   LEU  78           HB1      LEU  78  40.098   2.035   2.035
  558    HG   LEU  78           HG       LEU  78  37.325   1.391   1.391
  559   1HD1  LEU  78          HD12      LEU  78  38.627   3.278   3.278
  560   2HD1  LEU  78          HD11      LEU  78  39.900   2.131   2.131
  561   3HD1  LEU  78          HD13      LEU  78  38.301   1.981   1.981
  562   1HD2  LEU  78          HD21      LEU  78  38.623  -0.720  -0.720
  563   2HD2  LEU  78          HD23      LEU  78  38.233  -0.468  -0.468
  564   3HD2  LEU  78          HD22      LEU  78  39.860  -0.132  -0.132
  565    H    ASP  79           HN       ASP  79  37.242   1.101   1.101
  566    HA   ASP  79           HA       ASP  79  38.994   2.690   2.690
  567   1HB   ASP  79           HB2      ASP  79  36.445   3.097   3.097
  568   2HB   ASP  79           HB1      ASP  79  36.157   2.188   2.188
  569    H    GLN  80           HN       GLN  80  37.002  -0.203  -0.203
  570    HA   GLN  80           HA       GLN  80  37.422  -0.893  -0.893
  571   1HB   GLN  80           HB2      GLN  80  36.539  -2.730  -2.730
  572   2HB   GLN  80           HB1      GLN  80  36.162  -2.844  -2.844
  573   1HG   GLN  80           HG2      GLN  80  35.366  -0.307  -0.307
  574   2HG   GLN  80           HG1      GLN  80  34.505  -1.742  -1.742
  575   1HE2  GLN  80          HE22      GLN  80  32.955  -0.264  -0.264
  576   2HE2  GLN  80          HE21      GLN  80  33.488   0.493   0.493
  577    H    ALA  81           HN       ALA  81  38.902  -1.819  -1.819
  578    HA   ALA  81           HA       ALA  81  40.399  -4.041  -4.041
  579   1HB   ALA  81           HB2      ALA  81  40.251  -2.524  -2.524
  580   2HB   ALA  81           HB1      ALA  81  41.948  -2.618  -2.618
  581   3HB   ALA  81           HB3      ALA  81  41.011  -4.094  -4.094
  582    H    ALA  82           HN       ALA  82  41.263  -0.604  -0.604
  583    HA   ALA  82           HA       ALA  82  43.713  -1.043  -1.043
  584   1HB   ALA  82           HB2      ALA  82  42.511   1.200   1.200
  585   2HB   ALA  82           HB1      ALA  82  43.635   1.620   1.620
  586   3HB   ALA  82           HB3      ALA  82  44.161   0.578   0.578
  587    H    LYS  83           HN       LYS  83  40.725  -1.116  -1.116
  588    HA   LYS  83           HA       LYS  83  41.362   0.507   0.507
  589   1HB   LYS  83           HB2      LYS  83  39.688   1.737   1.737
  590   2HB   LYS  83           HB1      LYS  83  38.667   0.300   0.300
  591   1HG   LYS  83           HG2      LYS  83  38.135   0.402   0.402
  592   2HG   LYS  83           HG1      LYS  83  39.566   1.354   1.354
  593   1HD   LYS  83           HD2      LYS  83  37.749   2.672   2.672
  594   2HD   LYS  83           HD1      LYS  83  37.032   2.383   2.383
  595   1HE   LYS  83           HE2      LYS  83  39.795   3.386   3.386
  596   2HE   LYS  83           HE1      LYS  83  38.667   4.514   4.514
  597   1HZ   LYS  83           HZ1      LYS  83  37.397   3.421   3.421
  598   2HZ   LYS  83           HZ3      LYS  83  38.952   3.874   3.874
  599   3HZ   LYS  83           HZ2      LYS  83  37.925   5.022   5.022
  600    H    GLY  84           HN       GLY  84  41.222  -2.530  -2.530
  601   1HA   GLY  84           HA2      GLY  84  41.009  -4.403  -4.403
  602   2HA   GLY  84           HA1      GLY  84  40.280  -3.345  -3.345
  603    H    TRP  85           HN       TRP  85  39.645  -4.801  -4.801
  604    HA   TRP  85           HA       TRP  85  36.970  -4.413  -4.413
  605   1HB   TRP  85           HB2      TRP  85  38.802  -6.674  -6.674
  606   2HB   TRP  85           HB1      TRP  85  37.104  -7.124  -7.124
  607    HD1  TRP  85           HD1      TRP  85  39.606  -6.189  -6.189
  608    HE1  TRP  85           HE1      TRP  85  38.580  -5.110  -5.110
  609    HE3  TRP  85           HE3      TRP  85  34.947  -5.135  -5.135
  610    HZ2  TRP  85           HZ2      TRP  85  36.117  -3.961  -3.961
  611    HZ3  TRP  85           HZ3      TRP  85  33.279  -4.032  -4.032
  612    HH2  TRP  85           HH2      TRP  85  33.856  -3.436  -3.436
  613    H    ALA  86           HN       ALA  86  35.979  -4.073  -4.073
  614    HA   ALA  86           HA       ALA  86  34.854  -4.753  -4.753
  615   1HB   ALA  86           HB2      ALA  86  33.760  -5.923  -5.923
  616   2HB   ALA  86           HB1      ALA  86  33.948  -7.282  -7.282
  617   3HB   ALA  86           HB3      ALA  86  33.008  -5.871  -5.871
  618    H    GLY  87           HN       GLY  87  37.638  -5.740  -5.740
  619   1HA   GLY  87           HA2      GLY  87  38.162  -8.361  -8.361
  620   2HA   GLY  87           HA1      GLY  87  39.056  -7.031  -7.031
  621    HHA  HEC  88           HA       HEM  88  35.978  -9.842  -9.842
  622    HHB  HEC  88           HB       HEM  88  33.999  -5.518  -5.518
  623    HHC  HEC  88           HC       HEM  88  28.458  -8.584  -8.584
  624    HHD  HEC  88           HD       HEM  88  31.004 -13.479 -13.479
  625   1HMA  HEC  88          HMA1      HEM  88  35.891  -5.129  -5.129
  626   2HMA  HEC  88          HMA2      HEM  88  36.463  -4.796  -4.796
  627   3HMA  HEC  88          HMA3      HEM  88  37.423  -5.880  -5.880
  628   1HAA  HEC  88          HAA1      HEM  88  37.330  -6.679  -6.679
  629   2HAA  HEC  88          HAA2      HEM  88  37.246  -8.469  -8.469
  630   1HBA  HEC  88          HBA1      HEM  88  39.330  -8.284  -8.284
  631   2HBA  HEC  88          HBA2      HEM  88  38.920  -6.741  -6.741
  632   1HMB  HEC  88          HMB1      HEM  88  31.187  -3.953  -3.953
  633   2HMB  HEC  88          HMB2      HEM  88  31.867  -5.040  -5.040
  634   3HMB  HEC  88          HMB3      HEM  88  32.906  -4.501  -4.501
  635    HAB  HEC  88           HAB      HEM  88  28.953  -5.033  -5.033
  636   1HBB  HEC  88          HBB1      HEM  88  27.687  -7.030  -7.030
  637   2HBB  HEC  88          HBB2      HEM  88  27.544  -7.434  -7.434
  638   3HBB  HEC  88          HBB3      HEM  88  26.802  -5.927  -5.927
  639   1HMC  HEC  88          HMC1      HEM  88  27.221 -11.463 -11.463
  640   2HMC  HEC  88          HMC2      HEM  88  26.464 -11.273 -11.273
  641   3HMC  HEC  88          HMC3      HEM  88  27.032  -9.813  -9.813
  642    HAC  HEC  88           HAC      HEM  88  29.551 -14.117 -14.117
  643   1HBC  HEC  88          HBC1      HEM  88  26.619 -13.180 -13.180
  644   2HBC  HEC  88          HBC2      HEM  88  27.188 -14.882 -14.882
  645   3HBC  HEC  88          HBC3      HEM  88  27.620 -13.639 -13.639
  646   1HMD  HEC  88          HMD1      HEM  88  34.073 -14.857 -14.857
  647   2HMD  HEC  88          HMD2      HEM  88  32.316 -14.692 -14.692
  648   3HMD  HEC  88          HMD3      HEM  88  32.912 -14.275 -14.275
  649   1HAD  HEC  88          HAD1      HEM  88  35.983 -13.445 -13.445
  650   2HAD  HEC  88          HAD2      HEM  88  36.479 -11.706 -11.706
  651   1HBD  HEC  88          HBD1      HEM  88  36.050 -13.118 -13.118
  652   2HBD  HEC  88          HBD2      HEM  88  34.328 -12.660 -12.660

  Start of MODEL   20
    1   1H    ALA   1           HT2      ALA   1  32.473  11.597  11.597
    2   2H    ALA   1           HT1      ALA   1  33.731  11.427  11.427
    3   3H    ALA   1           HT3      ALA   1  34.076  11.936  11.936
    4    HA   ALA   1           HA       ALA   1  34.373   9.852   9.852
    5   1HB   ALA   1           HB2      ALA   1  33.588   9.354   9.354
    6   2HB   ALA   1           HB1      ALA   1  34.011   8.031   8.031
    7   3HB   ALA   1           HB3      ALA   1  35.196   9.283   9.283
    8    H    ASP   2           HN       ASP   2  31.508   9.503   9.503
    9    HA   ASP   2           HA       ASP   2  29.304   8.910   8.910
   10   1HB   ASP   2           HB2      ASP   2  30.012   8.840   8.840
   11   2HB   ASP   2           HB1      ASP   2  28.506   9.344   9.344
   12    H    LEU   3           HN       LEU   3  32.052   7.132   7.132
   13    HA   LEU   3           HA       LEU   3  30.944   4.866   4.866
   14   1HB   LEU   3           HB2      LEU   3  33.306   5.006   5.006
   15   2HB   LEU   3           HB1      LEU   3  32.914   3.629   3.629
   16    HG   LEU   3           HG       LEU   3  33.875   6.374   6.374
   17   1HD1  LEU   3          HD12      LEU   3  35.341   4.277   4.277
   18   2HD1  LEU   3          HD11      LEU   3  34.607   3.673   3.673
   19   3HD1  LEU   3          HD13      LEU   3  35.549   5.163   5.163
   20   1HD2  LEU   3          HD21      LEU   3  32.419   4.380   4.380
   21   2HD2  LEU   3          HD23      LEU   3  31.848   5.991   5.991
   22   3HD2  LEU   3          HD22      LEU   3  33.279   5.807   5.807
   23    H    ALA   4           HN       ALA   4  30.308   6.113   6.113
   24    HA   ALA   4           HA       ALA   4  29.996   3.762   3.762
   25   1HB   ALA   4           HB1      ALA   4  29.660   6.250   6.250
   26   2HB   ALA   4           HB3      ALA   4  28.026   6.055   6.055
   27   3HB   ALA   4           HB2      ALA   4  28.578   5.047   5.047
   28    H    ASN   5           HN       ASN   5  28.292   5.214   5.214
   29    HA   ASN   5           HA       ASN   5  25.860   3.686   3.686
   30   1HB   ASN   5           HB2      ASN   5  27.154   5.661   5.661
   31   2HB   ASN   5           HB1      ASN   5  26.544   4.351   4.351
   32   1HD2  ASN   5          HD22      ASN   5  23.716   6.720   6.720
   33   2HD2  ASN   5          HD21      ASN   5  25.245   6.736   6.736
   34    H    GLY   6           HN       GLY   6  29.008   3.323   3.323
   35   1HA   GLY   6           HA2      GLY   6  28.556   1.102   1.102
   36   2HA   GLY   6           HA1      GLY   6  30.077   1.370   1.370
   37    H    ALA   7           HN       ALA   7  29.652   0.923   0.923
   38    HA   ALA   7           HA       ALA   7  29.402  -1.835  -1.835
   39   1HB   ALA   7           HB1      ALA   7  29.514   0.488   0.488
   40   2HB   ALA   7           HB3      ALA   7  28.433  -0.740  -0.740
   41   3HB   ALA   7           HB2      ALA   7  30.108  -1.148  -1.148
   42    H    LYS   8           HN       LYS   8  26.883   0.652   0.652
   43    HA   LYS   8           HA       LYS   8  24.777  -0.990  -0.990
   44   1HB   LYS   8           HB2      LYS   8  24.117   1.227   1.227
   45   2HB   LYS   8           HB1      LYS   8  24.941   1.553   1.553
   46   1HG   LYS   8           HG2      LYS   8  22.655  -0.348  -0.348
   47   2HG   LYS   8           HG1      LYS   8  22.244   1.331   1.331
   48   1HD   LYS   8           HD2      LYS   8  23.808   0.280   0.280
   49   2HD   LYS   8           HD1      LYS   8  22.210   1.021   1.021
   50   1HE   LYS   8           HE2      LYS   8  23.937   2.834   2.834
   51   2HE   LYS   8           HE1      LYS   8  24.778   2.294   2.294
   52   1HZ   LYS   8           HZ1      LYS   8  21.986   3.308   3.308
   53   2HZ   LYS   8           HZ3      LYS   8  23.333   4.224   4.224
   54   3HZ   LYS   8           HZ2      LYS   8  22.865   2.876   2.876
   55    H    VAL   9           HN       VAL   9  26.010  -0.424  -0.424
   56    HA   VAL   9           HA       VAL   9  24.043  -2.230  -2.230
   57    HB   VAL   9           HB       VAL   9  26.437  -0.701  -0.701
   58   1HG1  VAL   9          HG12      VAL   9  25.908  -3.122  -3.122
   59   2HG1  VAL   9          HG11      VAL   9  24.730  -2.144  -2.144
   60   3HG1  VAL   9          HG13      VAL   9  26.440  -1.747  -1.747
   61   1HG2  VAL   9          HG22      VAL   9  23.513  -0.438  -0.438
   62   2HG2  VAL   9          HG21      VAL   9  24.756   0.807   0.807
   63   3HG2  VAL   9          HG23      VAL   9  24.249  -0.123  -0.123
   64    H    PHE  10           HN       PHE  10  27.640  -2.337  -2.337
   65    HA   PHE  10           HA       PHE  10  28.010  -4.959  -4.959
   66   1HB   PHE  10           HB2      PHE  10  29.925  -3.531  -3.531
   67   2HB   PHE  10           HB1      PHE  10  29.468  -3.429  -3.429
   68    HD1  PHE  10           HD1      PHE  10  29.560  -5.379  -5.379
   69    HD2  PHE  10           HD2      PHE  10  31.051  -5.549  -5.549
   70    HE1  PHE  10           HE1      PHE  10  30.736  -7.474  -7.474
   71    HE2  PHE  10           HE2      PHE  10  32.215  -7.669  -7.669
   72    HZ   PHE  10           HZ       PHE  10  32.069  -8.631  -8.631
   73    H    SER  11           HN       SER  11  26.703  -3.804  -3.804
   74    HA   SER  11           HA       SER  11  27.027  -6.322  -6.322
   75   1HB   SER  11           HB2      SER  11  25.387  -3.842  -3.842
   76   2HB   SER  11           HB1      SER  11  25.359  -5.245  -5.245
   77    HG   SER  11           HG       SER  11  27.100  -4.450  -4.450
   78    H    GLY  12           HN       GLY  12  24.171  -4.739  -4.739
   79   1HA   GLY  12           HA2      GLY  12  22.725  -7.273  -7.273
   80   2HA   GLY  12           HA1      GLY  12  21.968  -5.728  -5.728
   81    H    ASN  13           HN       ASN  13  24.758  -6.920  -6.920
   82    HA   ASN  13           HA       ASN  13  23.034  -7.886  -7.886
   83   1HB   ASN  13           HB2      ASN  13  24.910  -5.586  -5.586
   84   2HB   ASN  13           HB1      ASN  13  23.687  -6.277  -6.277
   85   1HD2  ASN  13          HD22      ASN  13  22.676  -3.270  -3.270
   86   2HD2  ASN  13          HD21      ASN  13  24.276  -3.718  -3.718
   87    H    CYS  14           HN       CYS  14  26.259  -7.278  -7.278
   88    HA   CYS  14           HA       CYS  14  27.254  -9.379  -9.379
   89   1HB   CYS  14           HB2      CYS  14  28.644  -6.898  -6.898
   90   2HB   CYS  14           HB1      CYS  14  29.357  -8.169  -8.169
   91    H    ALA  15           HN       ALA  15  26.871  -8.415  -8.415
   92    HA   ALA  15           HA       ALA  15  29.127  -9.422  -9.422
   93   1HB   ALA  15           HB2      ALA  15  26.224  -9.221  -9.221
   94   2HB   ALA  15           HB1      ALA  15  27.274 -10.171 -10.171
   95   3HB   ALA  15           HB3      ALA  15  27.616  -8.463  -8.463
   96    H    ALA  16           HN       ALA  16  26.460 -11.130 -11.130
   97    HA   ALA  16           HA       ALA  16  27.022 -13.727 -13.727
   98   1HB   ALA  16           HB1      ALA  16  25.114 -12.583 -12.583
   99   2HB   ALA  16           HB3      ALA  16  25.875 -13.901 -13.901
  100   3HB   ALA  16           HB2      ALA  16  25.113 -14.216 -14.216
  101    H    CYS  17           HN       CYS  17  28.198 -12.042 -12.042
  102    HA   CYS  17           HA       CYS  17  29.838 -14.438 -14.438
  103   1HB   CYS  17           HB2      CYS  17  28.537 -12.455 -12.455
  104   2HB   CYS  17           HB1      CYS  17  30.276 -12.292 -12.292
  105    H    HIS  18           HN       HIS  18  30.205 -12.296 -12.296
  106    HA   HIS  18           HA       HIS  18  33.101 -12.067 -12.067
  107   1HB   HIS  18           HB2      HIS  18  31.266  -9.662  -9.662
  108   2HB   HIS  18           HB1      HIS  18  32.982  -9.552  -9.552
  109    HD1  HIS  18           HD1      HIS  18  34.609 -10.713 -10.713
  110    HD2  HIS  18           HD2      HIS  18  30.868  -9.513  -9.513
  111    HE1  HIS  18           HE1      HIS  18  34.782 -10.554 -10.554
  112    H    MET  19           HN       MET  19  30.609 -10.386 -10.386
  113    HA   MET  19           HA       MET  19  30.585  -9.905  -9.905
  114   1HB   MET  19           HB2      MET  19  30.692 -12.164 -12.164
  115   2HB   MET  19           HB1      MET  19  29.373 -11.904 -11.904
  116   1HG   MET  19           HG2      MET  19  30.659 -13.119 -13.119
  117   2HG   MET  19           HG1      MET  19  31.951 -13.403 -13.403
  118   1HE   MET  19           HE3      MET  19  30.109 -15.201 -15.201
  119   2HE   MET  19           HE2      MET  19  31.302 -16.129 -16.129
  120   3HE   MET  19           HE1      MET  19  29.610 -16.616 -16.616
  121    H    GLY  20           HN       GLY  20  32.472  -8.704  -8.704
  122   1HA   GLY  20           HA2      GLY  20  34.517  -8.319  -8.319
  123   2HA   GLY  20           HA1      GLY  20  34.483 -10.006 -10.006
  124    H    GLY  21           HN       GLY  21  34.694  -8.310  -8.310
  125   1HA   GLY  21           HA2      GLY  21  35.904  -8.942  -8.942
  126   2HA   GLY  21           HA1      GLY  21  37.252  -8.752  -8.752
  127    H    GLY  22           HN       GLY  22  34.746 -11.221 -11.221
  128   1HA   GLY  22           HA2      GLY  22  36.933 -13.240 -13.240
  129   2HA   GLY  22           HA1      GLY  22  35.552 -13.530 -13.530
  130    H    ASN  23           HN       ASN  23  36.700 -13.630 -13.630
  131    HA   ASN  23           HA       ASN  23  34.155 -13.834 -13.834
  132   1HB   ASN  23           HB2      ASN  23  36.760 -13.651 -13.651
  133   2HB   ASN  23           HB1      ASN  23  36.405 -15.348 -15.348
  134   1HD2  ASN  23          HD22      ASN  23  34.864 -12.498 -12.498
  135   2HD2  ASN  23          HD21      ASN  23  36.019 -12.157 -12.157
  136    H    VAL  24           HN       VAL  24  32.862 -15.601 -15.601
  137    HA   VAL  24           HA       VAL  24  33.713 -18.130 -18.130
  138    HB   VAL  24           HB       VAL  24  31.506 -16.591 -16.591
  139   1HG1  VAL  24          HG12      VAL  24  30.581 -17.275 -17.275
  140   2HG1  VAL  24          HG11      VAL  24  30.495 -18.923 -18.923
  141   3HG1  VAL  24          HG13      VAL  24  29.543 -17.645 -17.645
  142   1HG2  VAL  24          HG23      VAL  24  31.960 -19.557 -19.557
  143   2HG2  VAL  24          HG22      VAL  24  32.335 -18.277 -18.277
  144   3HG2  VAL  24          HG21      VAL  24  30.655 -18.684 -18.684
  145    H    VAL  25           HN       VAL  25  33.352 -16.748 -16.748
  146    HA   VAL  25           HA       VAL  25  32.489 -19.303 -19.303
  147    HB   VAL  25           HB       VAL  25  32.926 -16.654 -16.654
  148   1HG1  VAL  25          HG12      VAL  25  31.583 -19.273 -19.273
  149   2HG1  VAL  25          HG11      VAL  25  31.027 -17.797 -17.797
  150   3HG1  VAL  25          HG13      VAL  25  32.694 -18.333 -18.333
  151   1HG2  VAL  25          HG23      VAL  25  30.743 -17.535 -17.535
  152   2HG2  VAL  25          HG22      VAL  25  31.247 -15.903 -15.903
  153   3HG2  VAL  25          HG21      VAL  25  30.225 -16.838 -16.838
  154    H    MET  26           HN       MET  26  35.052 -16.816 -16.816
  155    HA   MET  26           HA       MET  26  36.701 -18.754 -18.754
  156   1HB   MET  26           HB2      MET  26  36.773 -15.774 -15.774
  157   2HB   MET  26           HB1      MET  26  38.246 -16.625 -16.625
  158   1HG   MET  26           HG2      MET  26  36.407 -17.741 -17.741
  159   2HG   MET  26           HG1      MET  26  35.792 -16.093 -16.093
  160   1HE   MET  26           HE2      MET  26  38.721 -18.323 -18.323
  161   2HE   MET  26           HE1      MET  26  38.262 -18.267 -18.267
  162   3HE   MET  26           HE3      MET  26  39.806 -17.580 -17.580
  163    H    ALA  27           HN       ALA  27  38.949 -19.098 -19.098
  164    HA   ALA  27           HA       ALA  27  39.236 -18.867 -18.867
  165   1HB   ALA  27           HB1      ALA  27  40.483 -20.820 -20.820
  166   2HB   ALA  27           HB3      ALA  27  40.849 -20.763 -20.763
  167   3HB   ALA  27           HB2      ALA  27  39.225 -21.182 -21.182
  168    H    ASN  28           HN       ASN  28  39.915 -16.549 -16.549
  169    HA   ASN  28           HA       ASN  28  42.598 -16.109 -16.109
  170   1HB   ASN  28           HB2      ASN  28  43.497 -15.709 -15.709
  171   2HB   ASN  28           HB1      ASN  28  43.322 -17.395 -17.395
  172   1HD2  ASN  28          HD22      ASN  28  41.081 -15.962 -15.962
  173   2HD2  ASN  28          HD21      ASN  28  42.173 -14.955 -14.955
  174    H    LYS  29           HN       LYS  29  40.248 -15.111 -15.111
  175    HA   LYS  29           HA       LYS  29  40.942 -12.296 -12.296
  176   1HB   LYS  29           HB2      LYS  29  39.085 -13.896 -13.896
  177   2HB   LYS  29           HB1      LYS  29  38.542 -12.261 -12.261
  178   1HG   LYS  29           HG2      LYS  29  40.347 -11.274 -11.274
  179   2HG   LYS  29           HG1      LYS  29  41.366 -12.703 -12.703
  180   1HD   LYS  29           HD2      LYS  29  39.987 -13.912 -13.912
  181   2HD   LYS  29           HD1      LYS  29  38.914 -12.520 -12.520
  182   1HE   LYS  29           HE2      LYS  29  40.259 -11.863 -11.863
  183   2HE   LYS  29           HE1      LYS  29  41.417 -11.421 -11.421
  184   1HZ   LYS  29           HZ3      LYS  29  41.547 -14.195 -14.195
  185   2HZ   LYS  29           HZ2      LYS  29  41.705 -13.362 -13.362
  186   3HZ   LYS  29           HZ1      LYS  29  42.762 -13.027 -13.027
  187    H    THR  30           HN       THR  30  40.565 -11.842 -11.842
  188    HA   THR  30           HA       THR  30  37.670 -11.806 -11.806
  189    HB   THR  30           HB       THR  30  40.091 -12.404 -12.404
  190    HG1  THR  30           HG1      THR  30  39.179 -14.145 -14.145
  191   1HG2  THR  30          HG21      THR  30  37.219 -11.827 -11.827
  192   2HG2  THR  30          HG23      THR  30  38.390 -12.580 -12.580
  193   3HG2  THR  30          HG22      THR  30  38.657 -10.936 -10.936
  194    H    LEU  31           HN       LEU  31  37.193 -10.042 -10.042
  195    HA   LEU  31           HA       LEU  31  38.642  -7.594  -7.594
  196   1HB   LEU  31           HB2      LEU  31  36.600  -7.380  -7.380
  197   2HB   LEU  31           HB1      LEU  31  36.804  -6.434  -6.434
  198    HG   LEU  31           HG       LEU  31  35.486  -9.137  -9.137
  199   1HD1  LEU  31          HD13      LEU  31  34.216  -6.939  -6.939
  200   2HD1  LEU  31          HD12      LEU  31  34.508  -6.631  -6.631
  201   3HD1  LEU  31          HD11      LEU  31  33.561  -8.033  -8.033
  202   1HD2  LEU  31          HD21      LEU  31  36.876  -7.925  -7.925
  203   2HD2  LEU  31          HD23      LEU  31  36.471  -9.614  -9.614
  204   3HD2  LEU  31          HD22      LEU  31  35.249  -8.519  -8.519
  205    H    LYS  32           HN       LYS  32  40.638  -8.428  -8.428
  206    HA   LYS  32           HA       LYS  32  40.283  -7.897  -7.897
  207   1HB   LYS  32           HB2      LYS  32  42.048  -9.759  -9.759
  208   2HB   LYS  32           HB1      LYS  32  42.715  -9.043  -9.043
  209   1HG   LYS  32           HG2      LYS  32  41.585 -10.587 -10.587
  210   2HG   LYS  32           HG1      LYS  32  40.085  -9.820  -9.820
  211   1HD   LYS  32           HD2      LYS  32  39.728 -11.939 -11.939
  212   2HD   LYS  32           HD1      LYS  32  40.593 -11.239 -11.239
  213   1HE   LYS  32           HE2      LYS  32  42.204 -12.790 -12.790
  214   2HE   LYS  32           HE1      LYS  32  42.542 -12.167 -12.167
  215   1HZ   LYS  32           HZ1      LYS  32  40.323 -13.572 -13.572
  216   2HZ   LYS  32           HZ3      LYS  32  41.003 -14.489 -14.489
  217   3HZ   LYS  32           HZ2      LYS  32  41.888 -14.210 -14.210
  218    H    LYS  33           HN       LYS  33  43.305  -7.893  -7.893
  219    HA   LYS  33           HA       LYS  33  43.511  -5.061  -5.061
  220   1HB   LYS  33           HB2      LYS  33  43.567  -4.982  -4.982
  221   2HB   LYS  33           HB1      LYS  33  44.861  -6.179  -6.179
  222   1HG   LYS  33           HG2      LYS  33  45.986  -4.104  -4.104
  223   2HG   LYS  33           HG1      LYS  33  46.173  -4.522  -4.522
  224   1HD   LYS  33           HD2      LYS  33  43.689  -3.086  -3.086
  225   2HD   LYS  33           HD1      LYS  33  45.067  -2.157  -2.157
  226   1HE   LYS  33           HE2      LYS  33  45.096  -3.477  -3.477
  227   2HE   LYS  33           HE1      LYS  33  44.422  -1.864  -1.864
  228   1HZ   LYS  33           HZ2      LYS  33  46.850  -1.897  -1.897
  229   2HZ   LYS  33           HZ1      LYS  33  47.132  -2.644  -2.644
  230   3HZ   LYS  33           HZ3      LYS  33  46.474  -1.082  -1.082
  231    H    GLU  34           HN       GLU  34  45.461  -7.935  -7.935
  232    HA   GLU  34           HA       GLU  34  47.634  -7.066  -7.066
  233   1HB   GLU  34           HB2      GLU  34  48.532  -9.404  -9.404
  234   2HB   GLU  34           HB1      GLU  34  48.342  -8.257  -8.257
  235   1HG   GLU  34           HG2      GLU  34  46.654  -9.451  -9.451
  236   2HG   GLU  34           HG1      GLU  34  45.937  -9.870  -9.870
  237    H    ALA  35           HN       ALA  35  44.981  -9.386  -9.386
  238    HA   ALA  35           HA       ALA  35  45.933 -10.703 -10.703
  239   1HB   ALA  35           HB2      ALA  35  43.599 -10.812 -10.812
  240   2HB   ALA  35           HB1      ALA  35  43.134 -10.895 -10.895
  241   3HB   ALA  35           HB3      ALA  35  44.273 -12.069 -12.069
  242    H    LEU  36           HN       LEU  36  43.314  -8.340  -8.340
  243    HA   LEU  36           HA       LEU  36  42.736  -7.868  -7.868
  244   1HB   LEU  36           HB2      LEU  36  42.122  -5.492  -5.492
  245   2HB   LEU  36           HB1      LEU  36  41.247  -6.868  -6.868
  246    HG   LEU  36           HG       LEU  36  43.772  -6.158  -6.158
  247   1HD1  LEU  36          HD11      LEU  36  41.800  -4.145  -4.145
  248   2HD1  LEU  36          HD13      LEU  36  41.789  -4.488  -4.488
  249   3HD1  LEU  36          HD12      LEU  36  43.286  -3.993  -3.993
  250   1HD2  LEU  36          HD21      LEU  36  41.179  -7.411  -7.411
  251   2HD2  LEU  36          HD23      LEU  36  42.699  -7.606  -7.606
  252   3HD2  LEU  36          HD22      LEU  36  41.621  -6.270  -6.270
  253    H    GLU  37           HN       GLU  37  45.330  -6.601  -6.601
  254    HA   GLU  37           HA       GLU  37  46.199  -4.811  -4.811
  255   1HB   GLU  37           HB2      GLU  37  47.412  -5.497  -5.497
  256   2HB   GLU  37           HB1      GLU  37  48.010  -4.238  -4.238
  257   1HG   GLU  37           HG2      GLU  37  45.120  -4.067  -4.067
  258   2HG   GLU  37           HG1      GLU  37  46.027  -3.915  -3.915
  259    H    GLN  38           HN       GLN  38  46.709  -8.025  -8.025
  260    HA   GLN  38           HA       GLN  38  49.352  -8.474  -8.474
  261   1HB   GLN  38           HB2      GLN  38  48.382 -10.073 -10.073
  262   2HB   GLN  38           HB1      GLN  38  46.953 -10.260 -10.260
  263   1HG   GLN  38           HG2      GLN  38  48.377 -12.149 -12.149
  264   2HG   GLN  38           HG1      GLN  38  48.470 -11.087 -11.087
  265   1HE2  GLN  38          HE22      GLN  38  51.799  -9.922  -9.922
  266   2HE2  GLN  38          HE21      GLN  38  50.339  -9.406  -9.406
  267    H    PHE  39           HN       PHE  39  46.094  -9.029  -9.029
  268    HA   PHE  39           HA       PHE  39  47.206  -9.517  -9.517
  269   1HB   PHE  39           HB2      PHE  39  44.373  -9.102  -9.102
  270   2HB   PHE  39           HB1      PHE  39  45.259 -10.577 -10.577
  271    HD1  PHE  39           HD1      PHE  39  45.596 -12.269 -12.269
  272    HD2  PHE  39           HD2      PHE  39  43.384  -8.660  -8.660
  273    HE1  PHE  39           HE1      PHE  39  44.651 -13.262 -13.262
  274    HE2  PHE  39           HE2      PHE  39  42.451  -9.645  -9.645
  275    HZ   PHE  39           HZ       PHE  39  43.078 -11.955 -11.955
  276    H    GLY  40           HN       GLY  40  44.434  -7.511  -7.511
  277   1HA   GLY  40           HA2      GLY  40  45.377  -4.969  -4.969
  278   2HA   GLY  40           HA1      GLY  40  45.144  -5.557  -5.557
  279    H    MET  41           HN       MET  41  43.496  -4.809  -4.809
  280    HA   MET  41           HA       MET  41  41.053  -4.122  -4.122
  281   1HB   MET  41           HB2      MET  41  39.626  -5.850  -5.850
  282   2HB   MET  41           HB1      MET  41  41.035  -6.671  -6.671
  283   1HG   MET  41           HG2      MET  41  41.945  -6.338  -6.338
  284   2HG   MET  41           HG1      MET  41  40.207  -6.353  -6.353
  285   1HE   MET  41           HE2      MET  41  39.460  -8.077  -8.077
  286   2HE   MET  41           HE1      MET  41  39.719  -9.798  -9.798
  287   3HE   MET  41           HE3      MET  41  40.966  -8.829  -8.829
  288    H    TYR  42           HN       TYR  42  43.017  -3.120  -3.120
  289    HA   TYR  42           HA       TYR  42  41.185  -2.736  -2.736
  290   1HB   TYR  42           HB2      TYR  42  43.368  -3.580  -3.580
  291   2HB   TYR  42           HB1      TYR  42  44.161  -2.330  -2.330
  292    HD1  TYR  42           HD1      TYR  42  41.516  -2.424  -2.424
  293    HD2  TYR  42           HD2      TYR  42  45.088  -0.579  -0.579
  294    HE1  TYR  42           HE1      TYR  42  41.553  -0.904  -0.904
  295    HE2  TYR  42           HE2      TYR  42  45.116   0.954   0.954
  296    HH   TYR  42           HH       TYR  42  42.495   1.407   1.407
  297    H    SER  43           HN       SER  43  41.523  -1.305  -1.305
  298    HA   SER  43           HA       SER  43  41.741   1.470   1.470
  299   1HB   SER  43           HB2      SER  43  42.505   0.156   0.156
  300   2HB   SER  43           HB1      SER  43  41.527   1.589   1.589
  301    HG   SER  43           HG       SER  43  43.631   1.639   1.639
  302    H    GLU  44           HN       GLU  44  40.017   2.891   2.891
  303    HA   GLU  44           HA       GLU  44  37.372   2.089   2.089
  304   1HB   GLU  44           HB2      GLU  44  38.783   4.577   4.577
  305   2HB   GLU  44           HB1      GLU  44  37.409   4.589   4.589
  306   1HG   GLU  44           HG2      GLU  44  36.089   3.624   3.624
  307   2HG   GLU  44           HG1      GLU  44  37.427   4.279   4.279
  308    H    ASP  45           HN       ASP  45  38.864   3.552   3.552
  309    HA   ASP  45           HA       ASP  45  36.814   2.997   2.997
  310   1HB   ASP  45           HB2      ASP  45  38.884   4.256   4.256
  311   2HB   ASP  45           HB1      ASP  45  39.722   2.711   2.711
  312    H    ALA  46           HN       ALA  46  39.233   0.751   0.751
  313    HA   ALA  46           HA       ALA  46  38.711  -1.381  -1.381
  314   1HB   ALA  46           HB3      ALA  46  40.240  -0.985  -0.985
  315   2HB   ALA  46           HB2      ALA  46  39.444  -2.558  -2.558
  316   3HB   ALA  46           HB1      ALA  46  40.524  -2.120  -2.120
  317    H    ILE  47           HN       ILE  47  37.902  -1.565  -1.565
  318    HA   ILE  47           HA       ILE  47  35.801  -3.446  -3.446
  319    HB   ILE  47           HB       ILE  47  37.071  -3.180  -3.180
  320   1HG1  ILE  47          HG12      ILE  47  34.071  -2.969  -2.969
  321   2HG1  ILE  47          HG11      ILE  47  35.068  -4.408  -4.408
  322   1HG2  ILE  47          HG21      ILE  47  37.150  -0.717  -0.717
  323   2HG2  ILE  47          HG23      ILE  47  35.413  -0.678  -0.678
  324   3HG2  ILE  47          HG22      ILE  47  36.510  -1.365  -1.365
  325   1HD1  ILE  47          HD11      ILE  47  36.012  -3.383  -3.383
  326   2HD1  ILE  47          HD13      ILE  47  34.832  -2.088  -2.088
  327   3HD1  ILE  47          HD12      ILE  47  34.291  -3.740  -3.740
  328    H    ILE  48           HN       ILE  48  35.860  -0.188  -0.188
  329    HA   ILE  48           HA       ILE  48  33.079   0.402   0.402
  330    HB   ILE  48           HB       ILE  48  35.247   1.844   1.844
  331   1HG1  ILE  48          HG12      ILE  48  33.444   2.710   2.710
  332   2HG1  ILE  48          HG11      ILE  48  35.031   1.980   1.980
  333   1HG2  ILE  48          HG21      ILE  48  33.081   2.078   2.078
  334   2HG2  ILE  48          HG23      ILE  48  32.374   2.772   2.772
  335   3HG2  ILE  48          HG22      ILE  48  33.704   3.596   3.596
  336   1HD1  ILE  48          HD11      ILE  48  35.793   3.879   3.879
  337   2HD1  ILE  48          HD13      ILE  48  34.320   4.669   4.669
  338   3HD1  ILE  48          HD12      ILE  48  35.585   4.237   4.237
  339    H    TYR  49           HN       TYR  49  34.958  -0.452  -0.452
  340    HA   TYR  49           HA       TYR  49  32.489  -0.758  -0.758
  341   1HB   TYR  49           HB2      TYR  49  34.398   0.164   0.164
  342   2HB   TYR  49           HB1      TYR  49  35.427  -1.167  -1.167
  343    HD1  TYR  49           HD1      TYR  49  32.612  -0.213  -0.213
  344    HD2  TYR  49           HD2      TYR  49  35.255  -3.375  -3.375
  345    HE1  TYR  49           HE1      TYR  49  31.859  -1.569  -1.569
  346    HE2  TYR  49           HE2      TYR  49  34.500  -4.735  -4.735
  347    HH   TYR  49           HH       TYR  49  33.448  -4.092  -4.092
  348    H    GLN  50           HN       GLN  50  34.161  -2.542  -2.542
  349    HA   GLN  50           HA       GLN  50  33.534  -5.125  -5.125
  350   1HB   GLN  50           HB2      GLN  50  35.620  -5.532  -5.532
  351   2HB   GLN  50           HB1      GLN  50  35.537  -4.202  -4.202
  352   1HG   GLN  50           HG2      GLN  50  34.134  -6.846  -6.846
  353   2HG   GLN  50           HG1      GLN  50  35.737  -6.497  -6.497
  354   1HE2  GLN  50          HE22      GLN  50  33.468  -5.648  -5.648
  355   2HE2  GLN  50          HE21      GLN  50  34.047  -7.046  -7.046
  356    H    VAL  51           HN       VAL  51  32.343  -2.869  -2.869
  357    HA   VAL  51           HA       VAL  51  30.690  -4.831  -4.831
  358    HB   VAL  51           HB       VAL  51  31.016  -1.816  -1.816
  359   1HG1  VAL  51          HG12      VAL  51  28.919  -3.605  -3.605
  360   2HG1  VAL  51          HG11      VAL  51  29.427  -2.138  -2.138
  361   3HG1  VAL  51          HG13      VAL  51  28.720  -2.035  -2.035
  362   1HG2  VAL  51          HG21      VAL  51  32.327  -3.948  -3.948
  363   2HG2  VAL  51          HG23      VAL  51  32.393  -2.246  -2.246
  364   3HG2  VAL  51          HG22      VAL  51  31.205  -3.314  -3.314
  365    H    GLN  52           HN       GLN  52  30.385  -2.037  -2.037
  366    HA   GLN  52           HA       GLN  52  27.583  -2.005  -2.005
  367   1HB   GLN  52           HB2      GLN  52  29.886  -0.819  -0.819
  368   2HB   GLN  52           HB1      GLN  52  28.753  -1.317  -1.317
  369   1HG   GLN  52           HG2      GLN  52  27.296   0.319   0.319
  370   2HG   GLN  52           HG1      GLN  52  27.387  -0.070  -0.070
  371   1HE2  GLN  52          HE22      GLN  52  30.401   2.106   2.106
  372   2HE2  GLN  52          HE21      GLN  52  30.029   0.472   0.472
  373    H    HIS  53           HN       HIS  53  29.841  -4.350  -4.350
  374    HA   HIS  53           HA       HIS  53  27.745  -5.684  -5.684
  375   1HB   HIS  53           HB2      HIS  53  30.331  -5.739  -5.739
  376   2HB   HIS  53           HB1      HIS  53  28.751  -5.586  -5.586
  377    HD1  HIS  53           HD1      HIS  53  28.527  -3.408  -3.408
  378    HD2  HIS  53           HD2      HIS  53  30.907  -3.030  -3.030
  379    HE1  HIS  53           HE1      HIS  53  29.237  -0.978  -0.978
  380    H    GLY  54           HN       GLY  54  29.470  -5.918  -5.918
  381   1HA   GLY  54           HA2      GLY  54  30.677  -7.628  -7.628
  382   2HA   GLY  54           HA1      GLY  54  29.798  -8.703  -8.703
  383    H    LYS  55           HN       LYS  55  31.271  -9.937  -9.937
  384    HA   LYS  55           HA       LYS  55  32.883  -9.466  -9.466
  385   1HB   LYS  55           HB2      LYS  55  34.095  -8.260  -8.260
  386   2HB   LYS  55           HB1      LYS  55  35.161  -9.410  -9.410
  387   1HG   LYS  55           HG2      LYS  55  35.044  -6.837  -6.837
  388   2HG   LYS  55           HG1      LYS  55  35.390  -8.151  -8.151
  389   1HD   LYS  55           HD2      LYS  55  32.513  -7.680  -7.680
  390   2HD   LYS  55           HD1      LYS  55  33.373  -6.249  -6.249
  391   1HE   LYS  55           HE2      LYS  55  34.164  -7.314  -7.314
  392   2HE   LYS  55           HE1      LYS  55  33.953  -8.924  -8.924
  393   1HZ   LYS  55           HZ3      LYS  55  31.450  -7.976  -7.976
  394   2HZ   LYS  55           HZ2      LYS  55  32.045  -7.229  -7.229
  395   3HZ   LYS  55           HZ1      LYS  55  32.084  -8.921  -8.921
  396    H    ASN  56           HN       ASN  56  33.615 -11.360 -11.360
  397    HA   ASN  56           HA       ASN  56  34.187 -13.617 -13.617
  398   1HB   ASN  56           HB2      ASN  56  35.081 -12.913 -12.913
  399   2HB   ASN  56           HB1      ASN  56  35.348 -14.498 -14.498
  400   1HD2  ASN  56          HD22      ASN  56  37.660 -11.336 -11.336
  401   2HD2  ASN  56          HD21      ASN  56  36.392 -11.142 -11.142
  402    H    ALA  57           HN       ALA  57  33.405 -13.629 -13.629
  403    HA   ALA  57           HA       ALA  57  30.818 -14.968 -14.968
  404   1HB   ALA  57           HB1      ALA  57  33.144 -16.034 -16.034
  405   2HB   ALA  57           HB3      ALA  57  31.631 -16.188 -16.188
  406   3HB   ALA  57           HB2      ALA  57  31.778 -16.890 -16.890
  407    H    MET  58           HN       MET  58  31.018 -12.249 -12.249
  408    HA   MET  58           HA       MET  58  29.826 -12.297 -12.297
  409   1HB   MET  58           HB2      MET  58  31.857 -11.275 -11.275
  410   2HB   MET  58           HB1      MET  58  31.923 -10.465 -10.465
  411   1HG   MET  58           HG2      MET  58  29.900  -9.094  -9.094
  412   2HG   MET  58           HG1      MET  58  30.287  -9.738  -9.738
  413   1HE   MET  58           HE1      MET  58  30.413  -7.470  -7.470
  414   2HE   MET  58           HE3      MET  58  31.621  -6.237  -6.237
  415   3HE   MET  58           HE2      MET  58  30.300  -6.563  -6.563
  416    HA   PRO  59           HA       PRO  59  26.340 -10.502 -10.502
  417   1HB   PRO  59           HB2      PRO  59  25.234  -9.334  -9.334
  418   2HB   PRO  59           HB1      PRO  59  25.122 -11.056 -11.056
  419   1HG   PRO  59           HG2      PRO  59  26.849  -9.659  -9.659
  420   2HG   PRO  59           HG1      PRO  59  26.186 -11.298 -11.298
  421   1HD   PRO  59           HD2      PRO  59  28.819 -10.674 -10.674
  422   2HD   PRO  59           HD1      PRO  59  28.012 -12.185 -12.185
  423    H    ALA  60           HN       ALA  60  26.401  -8.765  -8.765
  424    HA   ALA  60           HA       ALA  60  27.622  -6.301  -6.301
  425   1HB   ALA  60           HB3      ALA  60  24.853  -6.898  -6.898
  426   2HB   ALA  60           HB2      ALA  60  25.775  -5.436  -5.436
  427   3HB   ALA  60           HB1      ALA  60  26.360  -7.002  -7.002
  428    H    PHE  61           HN       PHE  61  26.558  -4.161  -4.161
  429    HA   PHE  61           HA       PHE  61  24.520  -4.437  -4.437
  430   1HB   PHE  61           HB2      PHE  61  27.264  -3.336  -3.336
  431   2HB   PHE  61           HB1      PHE  61  25.933  -2.655  -2.655
  432    HD1  PHE  61           HD1      PHE  61  24.349  -4.359  -4.359
  433    HD2  PHE  61           HD2      PHE  61  28.301  -5.317  -5.317
  434    HE1  PHE  61           HE1      PHE  61  24.415  -6.279  -6.279
  435    HE2  PHE  61           HE2      PHE  61  28.373  -7.237  -7.237
  436    HZ   PHE  61           HZ       PHE  61  26.437  -7.704  -7.704
  437    H    ALA  62           HN       ALA  62  25.203  -3.135  -3.135
  438    HA   ALA  62           HA       ALA  62  24.869  -0.368  -0.368
  439   1HB   ALA  62           HB1      ALA  62  25.194  -1.882  -1.882
  440   2HB   ALA  62           HB3      ALA  62  23.433  -1.991  -1.991
  441   3HB   ALA  62           HB2      ALA  62  24.220  -0.421  -0.421
  442    H    GLY  63           HN       GLY  63  22.617  -2.895  -2.895
  443   1HA   GLY  63           HA2      GLY  63  20.668  -0.830  -0.830
  444   2HA   GLY  63           HA1      GLY  63  20.099  -2.006  -2.006
  445    H    ARG  64           HN       ARG  64  22.416  -2.905  -2.905
  446    HA   ARG  64           HA       ARG  64  20.329  -4.655  -4.655
  447   1HB   ARG  64           HB2      ARG  64  23.250  -4.856  -4.856
  448   2HB   ARG  64           HB1      ARG  64  22.683  -5.404  -5.404
  449   1HG   ARG  64           HG2      ARG  64  21.558  -6.321  -6.321
  450   2HG   ARG  64           HG1      ARG  64  22.706  -7.237  -7.237
  451   1HD   ARG  64           HD2      ARG  64  21.042  -7.038  -7.038
  452   2HD   ARG  64           HD1      ARG  64  19.889  -6.430  -6.430
  453    HE   ARG  64           HE       ARG  64  20.040  -8.628  -8.628
  454   1HH1  ARG  64          HH21      ARG  64  22.528  -9.780  -9.780
  455   2HH1  ARG  64          HH22      ARG  64  22.053 -10.822 -10.822
  456   1HH2  ARG  64          HH11      ARG  64  18.954  -9.322  -9.322
  457   2HH2  ARG  64          HH12      ARG  64  20.030 -10.559 -10.559
  458    H    LEU  65           HN       LEU  65  23.033  -2.512  -2.512
  459    HA   LEU  65           HA       LEU  65  22.197  -2.094  -2.094
  460   1HB   LEU  65           HB2      LEU  65  24.204  -0.457  -0.457
  461   2HB   LEU  65           HB1      LEU  65  24.145  -0.759  -0.759
  462    HG   LEU  65           HG       LEU  65  24.905  -2.684  -2.684
  463   1HD1  LEU  65          HD12      LEU  65  26.294  -1.085  -1.085
  464   2HD1  LEU  65          HD11      LEU  65  26.624  -2.797  -2.797
  465   3HD1  LEU  65          HD13      LEU  65  26.963  -2.069  -2.069
  466   1HD2  LEU  65          HD22      LEU  65  23.762  -3.199  -3.199
  467   2HD2  LEU  65          HD21      LEU  65  23.712  -4.203  -4.203
  468   3HD2  LEU  65          HD23      LEU  65  25.167  -4.164  -4.164
  469    H    THR  66           HN       THR  66  22.875   0.738   0.738
  470    HA   THR  66           HA       THR  66  20.232   1.715   1.715
  471    HB   THR  66           HB       THR  66  22.267   2.768   2.768
  472    HG1  THR  66           HG1      THR  66  20.249   1.409   1.409
  473   1HG2  THR  66          HG23      THR  66  20.165   4.347   4.347
  474   2HG2  THR  66          HG22      THR  66  20.793   4.845   4.845
  475   3HG2  THR  66          HG21      THR  66  21.880   4.715   4.715
  476    H    ASP  67           HN       ASP  67  23.353   3.308   3.308
  477    HA   ASP  67           HA       ASP  67  23.941   3.576   3.576
  478   1HB   ASP  67           HB2      ASP  67  21.847   5.009   5.009
  479   2HB   ASP  67           HB1      ASP  67  22.718   6.054   6.054
  480    H    GLU  68           HN       GLU  68  23.826   5.580   5.580
  481    HA   GLU  68           HA       GLU  68  26.572   6.461   6.461
  482   1HB   GLU  68           HB2      GLU  68  24.978   7.802   7.802
  483   2HB   GLU  68           HB1      GLU  68  24.405   6.413   6.413
  484   1HG   GLU  68           HG2      GLU  68  26.280   6.438   6.438
  485   2HG   GLU  68           HG1      GLU  68  27.297   7.227   7.227
  486    H    GLN  69           HN       GLN  69  25.463   3.424   3.424
  487    HA   GLN  69           HA       GLN  69  27.478   2.718   2.718
  488   1HB   GLN  69           HB2      GLN  69  25.657   0.586   0.586
  489   2HB   GLN  69           HB1      GLN  69  26.054   1.234   1.234
  490   1HG   GLN  69           HG2      GLN  69  24.050   2.381   2.381
  491   2HG   GLN  69           HG1      GLN  69  23.667   1.590   1.590
  492   1HE2  GLN  69          HE22      GLN  69  25.688   4.670   4.670
  493   2HE2  GLN  69          HE21      GLN  69  26.327   3.141   3.141
  494    H    ILE  70           HN       ILE  70  26.284   2.085   2.085
  495    HA   ILE  70           HA       ILE  70  28.178  -0.040  -0.040
  496    HB   ILE  70           HB       ILE  70  27.362   2.070   2.070
  497   1HG1  ILE  70          HG12      ILE  70  25.669  -0.304  -0.304
  498   2HG1  ILE  70          HG11      ILE  70  25.566   0.615   0.615
  499   1HG2  ILE  70          HG21      ILE  70  28.926  -0.234  -0.234
  500   2HG2  ILE  70          HG23      ILE  70  27.366  -0.732  -0.732
  501   3HG2  ILE  70          HG22      ILE  70  28.226   0.637   0.637
  502   1HD1  ILE  70          HD13      ILE  70  25.451   2.673   2.673
  503   2HD1  ILE  70          HD12      ILE  70  24.904   1.476   1.476
  504   3HD1  ILE  70          HD11      ILE  70  24.002   1.722   1.722
  505    H    GLN  71           HN       GLN  71  28.298   3.284   3.284
  506    HA   GLN  71           HA       GLN  71  31.019   3.717   3.717
  507   1HB   GLN  71           HB2      GLN  71  28.853   5.413   5.413
  508   2HB   GLN  71           HB1      GLN  71  30.465   6.027   6.027
  509   1HG   GLN  71           HG2      GLN  71  29.463   4.673   4.673
  510   2HG   GLN  71           HG1      GLN  71  28.304   5.893   5.893
  511   1HE2  GLN  71          HE22      GLN  71  30.937   8.502   8.502
  512   2HE2  GLN  71          HE21      GLN  71  29.879   7.915   7.915
  513    H    ASP  72           HN       ASP  72  29.320   4.674   4.674
  514    HA   ASP  72           HA       ASP  72  31.353   4.802   4.802
  515   1HB   ASP  72           HB2      ASP  72  28.490   3.887   3.887
  516   2HB   ASP  72           HB1      ASP  72  29.565   4.055   4.055
  517    H    VAL  73           HN       VAL  73  29.460   1.920   1.920
  518    HA   VAL  73           HA       VAL  73  30.764   0.130   0.130
  519    HB   VAL  73           HB       VAL  73  29.651  -0.622  -0.622
  520   1HG1  VAL  73          HG12      VAL  73  30.906  -2.271  -2.271
  521   2HG1  VAL  73          HG11      VAL  73  29.553  -2.100  -2.100
  522   3HG1  VAL  73          HG13      VAL  73  29.284  -2.741  -2.741
  523   1HG2  VAL  73          HG23      VAL  73  28.321   0.862   0.862
  524   2HG2  VAL  73          HG22      VAL  73  27.552  -0.207  -0.207
  525   3HG2  VAL  73          HG21      VAL  73  27.905  -0.787  -0.787
  526    H    ALA  74           HN       ALA  74  31.389   1.026   1.026
  527    HA   ALA  74           HA       ALA  74  33.541  -0.776  -0.776
  528   1HB   ALA  74           HB3      ALA  74  32.386   1.281   1.281
  529   2HB   ALA  74           HB2      ALA  74  33.993   1.917   1.917
  530   3HB   ALA  74           HB1      ALA  74  33.819   0.382   0.382
  531    H    ALA  75           HN       ALA  75  33.801   2.657   2.657
  532    HA   ALA  75           HA       ALA  75  36.493   2.584   2.584
  533   1HB   ALA  75           HB3      ALA  75  34.159   4.392   4.392
  534   2HB   ALA  75           HB2      ALA  75  35.302   4.524   4.524
  535   3HB   ALA  75           HB1      ALA  75  35.855   4.778   4.778
  536    H    TYR  76           HN       TYR  76  33.565   1.380   1.380
  537    HA   TYR  76           HA       TYR  76  34.169   1.410   1.410
  538   1HB   TYR  76           HB2      TYR  76  31.891   0.983   0.983
  539   2HB   TYR  76           HB1      TYR  76  32.444  -0.495  -0.495
  540    HD1  TYR  76           HD1      TYR  76  31.664   1.063   1.063
  541    HD2  TYR  76           HD2      TYR  76  32.968  -2.462  -2.462
  542    HE1  TYR  76           HE1      TYR  76  31.215  -0.184  -0.184
  543    HE2  TYR  76           HE2      TYR  76  32.514  -3.770  -3.770
  544    HH   TYR  76           HH       TYR  76  31.674  -3.703  -3.703
  545    H    VAL  77           HN       VAL  77  34.791  -0.897  -0.897
  546    HA   VAL  77           HA       VAL  77  36.018  -2.798  -2.798
  547    HB   VAL  77           HB       VAL  77  35.929  -2.538  -2.538
  548   1HG1  VAL  77          HG12      VAL  77  37.550  -4.402  -4.402
  549   2HG1  VAL  77          HG11      VAL  77  37.005  -4.900  -4.900
  550   3HG1  VAL  77          HG13      VAL  77  38.064  -3.501  -3.501
  551   1HG2  VAL  77          HG22      VAL  77  34.848  -4.576  -4.576
  552   2HG2  VAL  77          HG21      VAL  77  33.904  -3.362  -3.362
  553   3HG2  VAL  77          HG23      VAL  77  34.680  -4.673  -4.673
  554    H    LEU  78           HN       LEU  78  36.980   0.028   0.028
  555    HA   LEU  78           HA       LEU  78  39.859  -0.572  -0.572
  556   1HB   LEU  78           HB2      LEU  78  39.008   2.161   2.161
  557   2HB   LEU  78           HB1      LEU  78  40.260   1.132   1.132
  558    HG   LEU  78           HG       LEU  78  37.274   0.938   0.938
  559   1HD1  LEU  78          HD11      LEU  78  39.527   2.144   2.144
  560   2HD1  LEU  78          HD13      LEU  78  38.697   0.962   0.962
  561   3HD1  LEU  78          HD12      LEU  78  37.800   2.312   2.312
  562   1HD2  LEU  78          HD22      LEU  78  39.246  -1.136  -1.136
  563   2HD2  LEU  78          HD21      LEU  78  37.543  -1.241  -1.241
  564   3HD2  LEU  78          HD23      LEU  78  38.755  -0.823  -0.823
  565    H    ASP  79           HN       ASP  79  37.327   0.662   0.662
  566    HA   ASP  79           HA       ASP  79  39.026   2.489   2.489
  567   1HB   ASP  79           HB2      ASP  79  36.505   2.810   2.810
  568   2HB   ASP  79           HB1      ASP  79  36.189   1.877   1.877
  569    H    GLN  80           HN       GLN  80  37.234  -0.501  -0.501
  570    HA   GLN  80           HA       GLN  80  37.778  -0.964  -0.964
  571   1HB   GLN  80           HB2      GLN  80  36.814  -2.928  -2.928
  572   2HB   GLN  80           HB1      GLN  80  36.565  -2.995  -2.995
  573   1HG   GLN  80           HG2      GLN  80  35.615  -0.509  -0.509
  574   2HG   GLN  80           HG1      GLN  80  34.776  -1.961  -1.961
  575   1HE2  GLN  80          HE22      GLN  80  33.822  -0.481  -0.481
  576   2HE2  GLN  80          HE21      GLN  80  34.662   0.390   0.390
  577    H    ALA  81           HN       ALA  81  39.058  -2.048  -2.048
  578    HA   ALA  81           HA       ALA  81  40.759  -4.114  -4.114
  579   1HB   ALA  81           HB1      ALA  81  40.931  -2.393  -2.393
  580   2HB   ALA  81           HB3      ALA  81  42.033  -3.729  -3.729
  581   3HB   ALA  81           HB2      ALA  81  40.310  -4.039  -4.039
  582    H    ALA  82           HN       ALA  82  41.347  -0.658  -0.658
  583    HA   ALA  82           HA       ALA  82  44.063  -0.894  -0.894
  584   1HB   ALA  82           HB2      ALA  82  42.504   1.113   1.113
  585   2HB   ALA  82           HB1      ALA  82  43.650   1.784   1.784
  586   3HB   ALA  82           HB3      ALA  82  44.215   0.706   0.706
  587    H    LYS  83           HN       LYS  83  41.330  -1.001  -1.001
  588    HA   LYS  83           HA       LYS  83  42.501   0.654   0.654
  589   1HB   LYS  83           HB2      LYS  83  40.585   1.893   1.893
  590   2HB   LYS  83           HB1      LYS  83  40.514   1.767   1.767
  591   1HG   LYS  83           HG2      LYS  83  39.039  -0.234  -0.234
  592   2HG   LYS  83           HG1      LYS  83  39.036   0.025   0.025
  593   1HD   LYS  83           HD2      LYS  83  37.958   1.887   1.887
  594   2HD   LYS  83           HD1      LYS  83  37.045   1.065   1.065
  595   1HE   LYS  83           HE2      LYS  83  39.147   3.211   3.211
  596   2HE   LYS  83           HE1      LYS  83  37.406   3.401   3.401
  597   1HZ   LYS  83           HZ3      LYS  83  37.481   1.694   1.694
  598   2HZ   LYS  83           HZ2      LYS  83  39.166   1.570   1.570
  599   3HZ   LYS  83           HZ1      LYS  83  38.475   3.013   3.013
  600    H    GLY  84           HN       GLY  84  42.046  -2.338  -2.338
  601   1HA   GLY  84           HA2      GLY  84  41.974  -4.120  -4.120
  602   2HA   GLY  84           HA1      GLY  84  41.354  -2.988  -2.988
  603    H    TRP  85           HN       TRP  85  40.448  -4.631  -4.631
  604    HA   TRP  85           HA       TRP  85  37.750  -4.234  -4.234
  605   1HB   TRP  85           HB2      TRP  85  39.494  -6.573  -6.573
  606   2HB   TRP  85           HB1      TRP  85  37.807  -6.987  -6.987
  607    HD1  TRP  85           HD1      TRP  85  40.098  -6.151  -6.151
  608    HE1  TRP  85           HE1      TRP  85  38.823  -5.346  -5.346
  609    HE3  TRP  85           HE3      TRP  85  35.544  -5.271  -5.271
  610    HZ2  TRP  85           HZ2      TRP  85  36.204  -4.478  -4.478
  611    HZ3  TRP  85           HZ3      TRP  85  33.667  -4.440  -4.440
  612    HH2  TRP  85           HH2      TRP  85  33.983  -4.013  -4.013
  613    H    ALA  86           HN       ALA  86  36.831  -3.689  -3.689
  614    HA   ALA  86           HA       ALA  86  36.800  -5.535  -5.535
  615   1HB   ALA  86           HB3      ALA  86  36.488  -2.983  -2.983
  616   2HB   ALA  86           HB2      ALA  86  34.826  -3.295  -3.295
  617   3HB   ALA  86           HB1      ALA  86  35.426  -3.953  -3.953
  618    H    GLY  87           HN       GLY  87  34.280  -4.482  -4.482
  619   1HA   GLY  87           HA2      GLY  87  32.209  -5.483  -5.483
  620   2HA   GLY  87           HA1      GLY  87  33.193  -6.945  -6.945
  621    HHA  HEC  88           HA       HEM  88  36.510 -10.509 -10.509
  622    HHB  HEC  88           HB       HEM  88  34.137  -5.550  -5.550
  623    HHC  HEC  88           HC       HEM  88  28.565  -8.544  -8.544
  624    HHD  HEC  88           HD       HEM  88  31.145 -13.691 -13.691
  625   1HMA  HEC  88          HMA1      HEM  88  36.753  -5.087  -5.087
  626   2HMA  HEC  88          HMA2      HEM  88  37.721  -6.010  -6.010
  627   3HMA  HEC  88          HMA3      HEM  88  36.154  -5.250  -5.250
  628   1HAA  HEC  88          HAA1      HEM  88  38.225  -9.135  -9.135
  629   2HAA  HEC  88          HAA2      HEM  88  38.443  -7.360  -7.360
  630   1HBA  HEC  88          HBA1      HEM  88  36.739  -8.483  -8.483
  631   2HBA  HEC  88          HBA2      HEM  88  37.458  -6.835  -6.835
  632   1HMB  HEC  88          HMB1      HEM  88  31.124  -3.824  -3.824
  633   2HMB  HEC  88          HMB2      HEM  88  31.796  -4.672  -4.672
  634   3HMB  HEC  88          HMB3      HEM  88  32.868  -4.293  -4.293
  635    HAB  HEC  88           HAB      HEM  88  29.117  -5.366  -5.366
  636   1HBB  HEC  88          HBB1      HEM  88  27.592  -4.992  -4.992
  637   2HBB  HEC  88          HBB2      HEM  88  28.742  -3.822  -3.822
  638   3HBB  HEC  88          HBB3      HEM  88  29.318  -4.964  -4.964
  639   1HMC  HEC  88          HMC1      HEM  88  27.320 -10.110 -10.110
  640   2HMC  HEC  88          HMC2      HEM  88  26.642 -10.581 -10.581
  641   3HMC  HEC  88          HMC3      HEM  88  26.971 -11.850 -11.850
  642    HAC  HEC  88           HAC      HEM  88  27.703 -13.463 -13.463
  643   1HBC  HEC  88          HBC1      HEM  88  29.786 -15.035 -15.035
  644   2HBC  HEC  88          HBC2      HEM  88  28.009 -14.917 -14.917
  645   3HBC  HEC  88          HBC3      HEM  88  29.115 -13.634 -13.634
  646   1HMD  HEC  88          HMD1      HEM  88  33.531 -14.847 -14.847
  647   2HMD  HEC  88          HMD2      HEM  88  34.015 -15.376 -15.376
  648   3HMD  HEC  88          HMD3      HEM  88  32.297 -14.925 -14.925
  649   1HAD  HEC  88          HAD1      HEM  88  35.988 -14.131 -14.131
  650   2HAD  HEC  88          HAD2      HEM  88  36.876 -12.623 -12.623
  651   1HBD  HEC  88          HBD1      HEM  88  36.365 -13.162 -13.162
  652   2HBD  HEC  88          HBD2      HEM  88  34.716 -12.533 -12.533