*HEADER    HYDROLASE                               12-NOV-14   2MWJ              
*TITLE     SOLUTION STRUCTURE OF FAMILY 1 CARBOHYDRATE-BINDING MODULE FROM       
*TITLE    2 TRICHODERMA REESEI CEL7A WITH O-MANNOSE RESIDUES AT THR1 AND SER3    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXOGLUCANASE 1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CBM1 DOMAIN RESIDUES 478-513;                              
*COMPND   5 SYNONYM: 1,4-BETA-CELLOBIOHYDROLASE, EXOCELLOBIOHYDROLASE I, CBHI,   
*COMPND   6 EXOGLUCANASE I;                                                      
*COMPND   7 EC: 3.2.1.91;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI;                             
*SOURCE   4 ORGANISM_TAXID: 51453                                                
*KEYWDS    O-GLYCOSYLATION, HYDROLASE                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    R.M.HAPPS, L.CHEN, M.G.RESCH, M.F.DAVIS, G.T.BECKHAM, Z.TAN,          
*AUTHOR   2 M.F.CROWLEY                                                          
*REVDAT   1   02-SEP-15 2MWJ    0                                                


                                                                           
INTERRESIDUE NOES (249 restraint ranges for XPLOR)

assign (resid 13 and name hh) (resid 2 and name he22) 2.8 1.0 0.3      
assign (resid 12 and name hn) (resid 11 and name ha) 2.8 1.0 0.3     
assign (resid 26 and name hn) (resid 25 and name ha) 2.8 1.0 0.3     
assign (resid 27 and name hn) (resid 26 and name ha) 2.8 1.0 0.3     
assign (resid 28 and name hn) (resid 27 and name ha) 2.8 1.0 0.3     
assign (resid 33 and name hn) (resid 32 and name ha) 2.8 1.0 0.3     
assign (resid 17 and name hn) (resid 16 and name ha) 2.8 1.0 0.3     
assign (resid 22 and name hn) (resid 21 and name ha) 2.8 1.0 0.3     
assign (resid 21 and name hn) (resid 20 and name ha) 2.8 1.0 0.3     
assign (resid 19 and name hn) (resid 18 and name ha) 2.8 1.0 0.3     
assign (resid 10 and name hn) (resid 9 and name ha2) 2.8 1.0 0.4 
assign (resid 14 and name hn) (resid 13 and name ha) 2.8 1.0 0.3     
assign (resid 36 and name hn) (resid 35 and name ha) 2.8 1.0 0.3     
assign (resid 5 and name hn) (resid 4 and name ha) 2.8 1.0 0.3    
assign (resid 25 and name hn) (resid 24 and name ha) 2.8 1.0 0.3     
assign (resid 8 and name hn) (resid 7 and name ha) 2.8 1.0 0.3    
assign (resid 24 and name hn) (resid 23 and name ha) 2.8 1.0 0.3     
assign (resid 11 and name hn) (resid 31 and name ha) 2.8 1.0 0.3     
assign (resid 34 and name hn) (resid 33 and name ha) 2.8 1.0 0.3     
assign (resid 31 and name hn) (resid 32 and name hn) 2.8 1.0 0.3     
assign (resid 30 and name hd2) (resid 29 and name hb*) 2.8 1.0 0.3     
assign (resid 4 and name hn) (resid 3 and name ha) 2.8 1.0 0.3    
assign (resid 17 and name hn) (resid 18 and name hn) 2.8 1.0 0.3     
assign (resid 3 and name hn) (resid 2 and name ha) 2.8 1.0 0.3    
assign (resid 24 and name hn) (resid 23 and name hb) 2.8 1.0 0.3     
assign (resid 8 and name hn) (resid 9 and name hn) 2.8 1.0 0.4    
assign (resid 30 and name hd1) (resid 29 and name hb*) 3.1 1.3 0.4     
assign (resid 11 and name hn) (resid 10 and name ha2) 2.3 0.5 0.2     
assign (resid 5 and name hn) (resid 4 and name hd2) 3.1 1.3 0.4    
assign (resid 10 and name hn) (resid 9 and name ha1) 2.8 1.0 0.4     
assign (resid 28 and name hn) (resid 33 and name ha) 3.1 1.3 0.4     
assign (resid 9 and name hn) (resid 7 and name hg2) 3.1 1.3 0.4     
assign (resid 5 and name hd1) (resid 36 and name hd1*) 3.6 1.8 0.4            
assign (resid 2 and name he22) (resid 13 and name he1) 3.1 1.3 0.4    
assign (resid 4 and name hd2) (resid 36 and name ha) 3.1 1.3 0.4     
assign (resid 9 and name hn) (resid 7 and name hg1) 3.1 1.3 0.4     
assign (resid 22 and name hn) (resid 23 and name hn) 3.1 1.3 0.4     
assign (resid 5 and name hn) (resid 35 and name hb2) 3.1 1.3 0.4
assign (resid 30 and name hd1) (resid 29 and name ha) 3.1 1.3 0.4     
assign (resid 13 and name hh) (resid 2 and name hg2) 3.1 1.3 0.4     
assign (resid 25 and name hn) (resid 24 and name hb) 3.5 1.7 0.4     
assign (resid 7 and name he22) (resid 13 and name hb*) 3.5 1.7 0.4      
assign (resid 5 and name he1) (resid 36 and name hd1*) 3.6 1.8 0.4          
assign (resid 3 and name hn) (resid 2 and name hg1) 3.1 1.3 0.4     
assign (resid 32 and name he1) (resid 34 and name hb2) 3.1 1.3 0.4          
assign (resid 4 and name hn) (resid 3 and name hb2) 3.1 1.3 0.4     
assign (resid 1 and name hg2*) (resid 19 and name hb1) 4.7 2.9 0.8    
assign (resid 32 and name he1) (resid 34 and name hg2) 3.5 1.7 0.4          
assign (resid 31 and name hd1) (resid 11 and name hb) 3.1 1.3 0.4         
assign (resid 7 and name he21) (resid 13 and name hb*) 3.5 1.7 0.4       
assign (resid 24 and name hn) (resid 36 and name hn) 3.1 1.3 0.4     
assign (resid 35 and name hb*) (resid 19 and name hb1) 3.1 1.3 0.4     
assign (resid 3 and name ha) (resid 20 and name hb*) 3.6 1.8 0.4   
assign (resid 12 and name hn) (resid 13 and name hn) 3.1 1.3 0.4     
assign (resid 21 and name hn) (resid 20 and name hb*) 3.6 1.8 0.4     
assign (resid 14 and name hn) (resid 15 and name hn) 3.1 1.3 0.4     
assign (resid 32 and name hd1) (resid 28 and name hg) 3.5 1.7 0.4          
assign (resid 32 and name hd1) (resid 28 and name hb1) 3.1 1.3 0.4          
assign (resid 27 and name ha) (resid 33 and name ha) 3.1 1.3 0.4          
assign (resid 19 and name hn) (resid 18 and name hg1*) 4.0 2.2 0.4   
assign (resid 6 and name hn) (resid 35 and name hb*) 3.1 1.3 0.4     
assign (resid 33 and name hb2) (resid 9 and name ha2) 3.5 1.7 0.4    
assign (resid 12 and name hn) (resid 11 and name hg2*) 3.6 1.8 0.4    
assign (resid 32 and name hn) (resid 31 and name hb2) 3.5 1.7 0.4     
assign (resid 36 and name hn) (resid 23 and name hb) 3.5 1.7 0.4     
assign (resid 34 and name hn) (resid 33 and name hb1) 3.5 1.7 0.4     
assign (resid 4 and name hd2) (resid 23 and name hg2*) 4.0 2.2 0.4     
assign (resid 29 and name hn) (resid 27 and name hg1*) 4.0 2.2 0.4    
assign (resid 32 and name hd1) (resid 28 and name hd2*) 3.1 1.3 0.4       
assign (resid 2 and name he22) (resid 15 and name ha1) 3.5 1.7 0.4     
assign (resid 34 and name he21) (resid 5 and name ha) 3.5 1.7 0.4     
assign (resid 31 and name he1) (resid 11 and name hg2*) 4.0 2.2 0.4        
assign (resid 8 and name hb2) (resid 17 and name ha) 3.1 1.3 0.4  
assign (resid 9 and name hn) (resid 7 and name ha) 3.1 1.3 0.4    
assign (resid 13 and name hn) (resid 12 and name ha1) 3.5 1.7 0.4     
assign (resid 5 and name hn) (resid 6 and name hn) 3.5 1.7 0.4    
assign (resid 34 and name hn) (resid 26 and name hn) 3.5 1.7 0.4     
assign (resid 8 and name hn) (resid 7 and name hg1) 3.5 1.7 0.4     
assign (resid 31 and name he1) (resid 11 and name hb) 3.5 1.7 0.4          
assign (resid 29 and name hn) (resid 28 and name hg) 3.5 1.7 0.4     
assign (resid 4 and name hd2) (resid 36 and name hd1*) 4.0 2.2 0.4     
assign (resid 13 and name hh) (resid 2 and name he21) 3.5 1.7 0.4      
assign (resid 4 and name hn) (resid 3 and name hb1) 3.5 1.7 0.4     
assign (resid 29 and name hn) (resid 32 and name hn) 3.5 1.7 0.4     
assign (resid 23 and name hg2*) (resid 4 and name ha) 4.0 2.2 0.4      
assign (resid 32 and name he1) (resid 28 and name hd2*) 3.1 1.3 0.4         
assign (resid 26 and name hn) (resid 35 and name ha) 3.1 1.3 0.4     
assign (resid 13 and name hh) (resid 2 and name hg1) 3.5 1.7 0.4     
assign (resid 9 and name hn) (resid 7 and name he21) 3.5 1.7 0.4     
assign (resid 23 and name hn) (resid 21 and name ha) 3.5 1.7 0.4     
assign (resid 2 and name he22) (resid 16 and name hg*) 3.5 1.7 0.4     
assign (resid 34 and name he21) (resid 5 and name hb1) 3.5 1.7 0.4     
assign (resid 4 and name hd2) (resid 5 and name ha) 3.5 1.7 0.4    
assign (resid 7 and name he21) (resid 32 and name ha) 3.1 1.3 0.4     
assign (resid 13 and name hn) (resid 12 and name ha2) 3.5 1.7 0.4     
assign (resid 10 and name hn) (resid 33 and name hb2) 3.5 1.7 0.4   
assign (resid 31 and name he1) (resid 11 and name hd1*) 4.0 2.2 0.4          
assign (resid 4 and name hn) (resid 20 and name hb*) 4.0 2.2 0.4     
assign (resid 25 and name hn) (resid 24 and name hg2*) 4.0 2.2 0.4     
assign (resid 2 and name hn) (resid 19 and name ha) 3.1 1.3 0.4     
assign (resid 26 and name he22) (resid 36 and name hb2) 3.5 1.7 0.4    
assign (resid 31 and name hn) (resid 30 and name hd2) 3.5 1.7 0.4     
assign (resid 2 and name hn) (resid 1 and name hg2*) 4.0 2.2 0.4   
assign (resid 32 and name he2) (resid 7 and name hb1) 3.5 1.7 0.4         
assign (resid 3 and name hn) (resid 2 and name hg2) 3.5 1.7 0.4     
assign (resid 8 and name ha) (resid 17 and name ha) 3.5 1.7 0.4     
assign (resid 22 and name hn) (resid 21 and name hb*) 3.5 1.7 0.4     
assign (resid 23 and name hn) (resid 22 and name ha1) 3.5 1.7 0.4     
assign (resid 8 and name hn) (resid 7 and name hg2) 3.5 1.7 0.4     
assign (resid 23 and name hn) (resid 22 and name ha2) 3.5 1.7 0.4     
assign (resid 7 and name he22) (resid 32 and name ha) 3.1 1.3 0.4     
assign (resid 14 and name hn) (resid 13 and name hb*) 4.2 2.4 0.8     
assign (resid 28 and name hn) (resid 27 and name hg2*) 4.0 2.2 0.4    
assign (resid 36 and name hn) (resid 35 and name hb*) 3.5 1.7 0.4     
assign (resid 29 and name hd22) (resid 32 and name hb1) 3.5 1.7 0.4      
assign (resid 31 and name hd1) (resid 11 and name hg2*) 4.0 2.2 0.4          
assign (resid 2 and name hn) (resid 1 and name hb) 2.8 1.0 0.3    
assign (resid 28 and name hn) (resid 27 and name hg1*) 4.0 2.2 0.4     
assign (resid 31 and name hn) (resid 30 and name hd1) 3.5 1.7 0.4     
assign (resid 9 and name hn) (resid 8 and name ha) 3.5 1.7 0.4     
assign (resid 2 and name he22) (resid 8 and name ha) 3.5 1.7 0.4     
assign (resid 29 and name hn) (resid 28 and name ha) 3.5 1.7 0.4     
assign (resid 34 and name he22) (resid 5 and name hb1) 3.5 1.7 0.4     
assign (resid 18 and name hn) (resid 16 and name ha) 3.5 1.7 0.4     
assign (resid 24 and name hn) (resid 23 and name hg2*) 4.0 2.2 0.4    
assign (resid 17 and name hn) (resid 16 and name hb1) 3.5 1.7 0.4     
assign (resid 32 and name he2) (resid 7 and name ha) 3.5 1.7 0.4          
assign (resid 4 and name he1) (resid 5 and name he2) 3.1 1.3 0.4          
assign (resid 34 and name hn) (resid 28 and name hn) 3.5 1.7 0.4     
assign (resid 32 and name he1) (resid 28 and name hg) 4.2 2.4 0.8         
assign (resid 32 and name hd1) (resid 28 and name hd1*) 4.0 2.2 0.4   
assign (resid 34 and name he21) (resid 5 and name hd1) 3.5 1.7 0.4          
assign (resid 32 and name he2) (resid 7 and name hg1) 3.5 1.7 0.4          
assign (resid 25 and name hn) (resid 26 and name hn) 3.5 1.7 0.4     
assign (resid 31 and name hn) (resid 29 and name hb*) 3.5 1.7 0.4     
assign (resid 17 and name hn) (resid 16 and name hb2) 3.5 1.7 0.4     
assign (resid 31 and name hd1) (resid 11 and name hd1*) 4.0 2.2 0.4          
assign (resid 32 and name hn) (resid 31 and name ha) 3.5 1.7 0.4     
assign (resid 15 and name hn) (resid 14 and name ha) 3.1 1.3 0.4    
assign (resid 32 and name hn) (resid 30 and name ha) 3.5 1.7 0.4     
assign (resid 34 and name hn) (resid 27 and name ha) 3.5 1.7 0.4     
assign (resid 18 and name hn) (resid 1 and name hb) 4.2 2.4 0.8    
assign (resid 34 and name he21) (resid 5 and name hb2) 3.5 1.7 0.4     
assign (resid 18 and name hn) (resid 17 and name ha) 3.5 1.7 0.4     
assign (resid 2 and name he22) (resid 16 and name hd2) 3.5 1.7 0.4     
assign (resid 24 and name hn) (resid 25 and name hn) 4.2 2.4 0.8     
assign (resid 5 and name hn) (resid 35 and name hn) 4.2 2.4 0.8   
assign (resid 9 and name hn) (resid 7 and name hb1) 4.2 2.4 0.8     
assign (resid 32 and name he1) (resid 28 and name hd1*) 4.2 2.4 0.8        
assign (resid 5 and name hn) (resid 4 and name hn) 4.2 2.4 0.8    
assign (resid 4 and name he1) (resid 23 and name hg2*) 4.7 2.9 0.8     
assign (resid 18 and name hn) (resid 17 and name hg2*) 4.2 2.4 0.8     
assign (resid 5 and name hn) (resid 36 and name ha) 4.2 2.4 0.8    
assign (resid 24 and name hn) (resid 35 and name ha) 4.2 2.4 0.8  
assign (resid 2 and name he22) (resid 17 and name ha) 4.2 2.4 0.8    
assign (resid 2 and name he22) (resid 15 and name hn) 4.2 2.4 0.8     
assign (resid 35 and name hb*) (resid 23 and name hb) 3.5 1.7 0.4     
assign (resid 35 and name hn) (resid 34 and name hg2) 3.5 1.7 0.4     
assign (resid 35 and name hn) (resid 34 and name hg1) 3.5 1.7 0.4     
assign (resid 8 and name hn) (resid 33 and name hb2) 3.5 1.7 0.4    
assign (resid 36 and name hn) (resid 25 and name ha) 3.5 1.7 0.4     
assign (resid 34 and name hn) (resid 33 and name hb2) 3.5 1.7 0.4    
assign (resid 35 and name hb*) (resid 5 and name ha) 4.2 2.4 0.8     
assign (resid 27 and name hn) (resid 26 and name hb1) 3.5 1.7 0.4     
assign (resid 6 and name hn) (resid 2 and name hg1) 3.5 1.7 0.4     
assign (resid 14 and name hn) (resid 13 and name hd1) 3.5 1.7 0.4      
assign (resid 3 and name hn) (resid 2 and name hb1) 3.5 1.7 0.4     
assign (resid 2 and name he22) (resid 16 and name hb2) 4.2 2.4 0.8     
assign (resid 34 and name hn) (resid 28 and name hg) 4.2 2.4 0.8     
assign (resid 10 and name hn) (resid 9 and name hn) 4.2 2.4 0.8    
assign (resid 34 and name hn) (resid 25 and name ha) 4.2 2.4 0.8      
assign (resid 3 and name hn) (resid 6 and name ha1) 3.5 1.7 0.4     
assign (resid 2 and name hn) (resid 16 and name hb2) 4.2 2.4 0.8    
assign (resid 13 and name hh) (resid 16 and name hb2) 4.2 2.4 0.4     
assign (resid 13 and name hh) (resid 2 and name hb1) 4.2 2.4 0.4     
assign (resid 26 and name hn) (resid 25 and name hb2) 4.2 2.4 0.8   
assign (resid 3 and name hn) (resid 2 and name hb2) 3.5 1.7 0.4     
assign (resid 13 and name hh) (resid 2 and name hb2) 4.2 2.4 0.8     
assign (resid 5 and name hn) (resid 23 and name hg2*) 4.0 2.2 0.4  
assign (resid 36 and name hn) (resid 23 and name ha) 3.5 1.7 0.4     
assign (resid 5 and name hn) (resid 36 and name hd1*) 4.0 2.2 0.4     
assign (resid 25 and name hn) (resid 26 and name hg2) 4.2 2.4 0.8     
assign (resid 5 and name hn) (resid 4 and name hb2) 4.2 2.4 0.8     
assign (resid 13 and name hh) (resid 6 and name ha1) 4.2 2.4 0.4
assign (resid 11 and name hn) (resid 31 and name hd1) 4.2 2.4 0.4        
assign (resid 13 and name hh) (resid 16 and name hg*) 4.2 2.4 0.4    
assign (resid 4 and name hn) (resid 23 and name hg2*) 4.7 2.9 0.8       
assign (resid 36 and name hn) (resid 23 and name hg2*) 4.7 2.9 0.8     
assign (resid 9 and name hn) (resid 34 and name ha) 4.2 2.4 0.8    
assign (resid 28 and name hn) (resid 32 and name hn) 4.2 2.4 0.8     
assign (resid 6 and name hn) (resid 35 and name hn) 3.5 1.7 0.4     
assign (resid 29 and name hn) (resid 33 and name ha) 3.5 1.7 0.4     
assign (resid 6 and name ha1) (resid 3 and name hb2) 3.5     1.7 0.4   
assign (resid 35 and name hn) (resid 7 and name ha) 3.5 1.7 0.4     
assign (resid   2 and name he22) (resid 15 and name ha1) 4.2 2.4 0.8 
assign (resid 33 and name hb2) (resid 32 and name ha) 4.2 2.4 0.8 
assign (resid 16 and name hd2) (resid 15 and name ha2) 2.8 1.0 0.3 
assign (resid 20 and name hb*) (resid 3 and name ha) 3.1 1.3 0.4
assign (resid 20 and name hb*) (resid 1 and name hb) 4.0 2.2 0.4
assign (resid 1 and name hg2*) (resid 20 and name ha) 4.0 2.2 0.4 
assign (resid 27 and name hg2*) (resid 26 and name ha) 4.0 2.2 0.4 
assign (resid 8 and name ha) (resid 17 and name hg2*) 4.7 2.9 0.8 
assign (resid 7 and name ha) (resid 34 and name ha) 3.1 1.3 0.4
assign (resid 33 and name hn) (resid  9 and name ha2) 4.2 2.4 0.8
assign (resid 33 and name hn) (resid 7 and name ha) 4.2 2.4 0.8
assign (resid 33 and name hn) (resid 7 and name hg1) 3.1 1.3 0.4
assign (resid 36 and name hn) (resid 4 and name hd2) 4.2 2.4 0.8 
assign (resid 2 and name hn) (resid 18 and name hn) 4.2 2.4 0.8
assign (resid 5 and name hn) (resid 34 and name he21) 4.2 2.4 0.8
assign (resid 24 and name hn) (resid 23 and name hn) 4.2 2.4 0.8
assign (resid 29 and name hn) (resid 32 and name hb2) 4.2 2.4 0.8
assign (resid 32 and name hn) (resid 31 and name hb1) 4.2 2.4 0.8
assign (resid 17 and name hn) (resid 18 and name hg2*) 4.0 2.2 0.4
assign (resid 8 and name ha) (resid  13 and name hh) 3.1 1.3 0.4
assign (resid 35 and name hb*) (resid  36 and name ha) 4.2 2.4 0.8
assign (resid 13 and name hd2) (resid  9 and name ha1) 4.2 2.4 0.8
assign (resid 31 and name hd1) (resid  11 and name ha) 4.2 2.4 0.8
assign (resid   6 and name hn) (resid  4 and name ha) 3.5 1.7 0.4
assign (resid   6 and name hn) (resid  3 and name hb2) 4.2 2.4 0.4
assign (resid   8 and name hn) (resid  7 and name hb2) 4.2 2.4 0.4
assign (resid   8 and name hn) (resid  7 and name hb1) 4.2 2.4 0.4
assign (resid   9 and name hn) (resid  33 and name hb2) 2.8 1.0 0.3
assign (resid   9 and name hn) (resid  33 and name hb1) 3.5 1.7 0.4
assign (resid   11 and name hn) (resid  31 and name hb1) 4.2 2.4 0.4
assign (resid   32 and name hd2) (resid  7 and name hg1) 3.5 1.7 0.4
assign (resid   1 and name h1) (resid 23 and name hn) 4.2 2.4 0.4 
assign (resid 4 and name hn) (resid 3 and name h1) 4.2 2.4 0.4
assign (resid 20 and name hb*) (resid 1 and name h2) 4.0 2.2 0.4 
assign (resid 6 and name hn) (resid 3 and name h3) 3.5 1.7 0.4
assign (resid 6 and name ha1) (resid 3 and name h3) 3.5 1.7 0.4
assign (resid 6 and name hn) (resid 5 and name ha) 3.1 1.3 0.4
assign (resid 35 and name hn) (resid 34 and name ha) 2.8 1.0 0.3
assign (resid 4 and name ha) (resid 35 and name hb*) 3.5 1.7 0.4
assign (resid 20 and name hn) (resid 3 and name ha) 3.5 1.7 0.4
assign (resid 20 and name hn) (resid 19 and name ha) 2.3 0.5 0.2
assign (resid 20 and name hn) (resid 19 and name hb1) 2.8 1.0 0.3
assign (resid 20 and name hn) (resid 19 and name hb2) 3.5 1.7 0.4
assign (resid 20 and name hn) (resid 1 and name ha) 4.2 2.4 0.8
assign (resid 20 and name hn) (resid 1 and name hb) 4.2 2.4 0.8
assign (resid 23 and name hg2*) (resid 4 and name hb1) 4.0 2.2 0.4
assign (resid 23 and name hg2*) (resid 4 and name hb2) 4.0 2.2 0.4
assign (resid 11 and name hn) (resid 10 and name ha1) 2.8 1.0 0.4
assign (resid 29 and name hn) (resid 27 and name ha) 4.2 2.4 0.8
assign (resid 2 and name hn) (resid 1 and name ha) 2.8 1.0 0.3
assign (resid 7 and name he21) (resid 9 and name hn) 4.2 2.4 0.8
assign (resid 31      and name hd2) (resid  29      and name hb*) 4.2 2.4 0.8
assign (resid 31      and name hd2) (resid  30      and name hb1) 4.2 2.4 0.8
assign (resid 32 and name hn) (resid 10 and name ha2) 3.1 1.3 0.4 
assign (resid 18      and name hg1*) (resid  1       and name hb) 4.2 2.4 0.8

INTRARESIDUE NOES (217 restraint ranges for XPLOR)

assign (resid 9 and name ha2) (resid 9 and name ha1) 1.8 0.0 0.2
assign (resid 22 and name ha2) (resid 22 and name ha1) 1.8 0.0 0.2
assign (resid 25 and name hb2) (resid 25 and name hb1) 1.8 0.0 0.2
assign (resid 26 and name he21) (resid 26 and name he22) 1.8 0.0 0.2
assign (resid 4 and name hb2) (resid 4 and name hb1) 1.8 0.0 0.2
assign (resid 5 and name hb2) (resid 5 and name hb1) 1.8 0.0 0.2
assign (resid 32 and name hb2) (resid 32 and name hb1) 1.8 0.0 0.2
assign (resid 31 and name hb2) (resid 31 and name hb1) 1.8 0.0 0.2
assign (resid 14 and name hb2) (resid 14 and name hb1) 1.8 0.0 0.2
assign (resid 8 and name hb2) (resid 8 and name hb1) 1.8 0.0 0.2
assign (resid 6 and name ha1) (resid 6 and name ha2) 1.8 0.0 0.2
assign (resid 33 and name hb2) (resid 33 and name hb1) 1.8 0.0 0.2
assign (resid 30 and name hb2) (resid 30 and name hb1) 1.8 0.0 0.2
assign (resid 29 and name hd21) (resid 29 and name hd22) 1.8 0.0 0.2
assign (resid 3 and name hb2) (resid 3 and name hb1) 1.8 0.0 0.2
assign (resid 34 and name he21) (resid 34 and name he22) 1.8 0.0 0.2
assign (resid 19 and name hb2) (resid 19 and name hb1) 1.8 0.0 0.2
assign (resid 16 and name hb2) (resid 16 and name hb1) 1.8 0.0 0.2
assign (resid 7 and name he21) (resid 7 and name he22) 1.8 0.0 0.2
assign (resid 7 and name hg2) (resid 7 and name hg1) 1.8 0.0 0.2
assign (resid 2 and name hg2) (resid 2 and name hg1) 1.8 0.0 0.2
assign (resid 11 and name hg11) (resid 11 and name hg12) 1.8 0.0 0.2
assign (resid 26 and name hg2) (resid 26 and name hg1) 1.8 0.0 0.2
assign (resid 27 and name hg2*) (resid 27 and name hg1*) 3.3 1.5 0.3
assign (resid 16 and name hd2) (resid 16 and name hd1) 1.8 0.0 0.2
assign (resid 2 and name he21) (resid 2 and name he22) 1.8 0.0 0.2
assign (resid 5 and name hd*) (resid 5 and name he*) 2.5 0.7 0.3
assign (resid 32 and name hd*) (resid 32 and name he*) 2.5 0.7 0.3
assign (resid 36 and name hd2*) (resid 36 and name hg) 3.3 1.5 0.3
assign (resid 1 and name hg2*) (resid 1 and name hb) 3.3 1.5 0.3
assign (resid 5 and name hn) (resid 5 and name ha) 2.8 1.0 0.3
assign (resid 29 and name hb*) (resid 29 and name ha) 2.8 1.0 0.3
assign (resid 13 and name hb2) (resid 13 and name ha) 2.8 1.0 0.3
assign (resid 23 and name hg2*) (resid 23 and name hb) 3.3 1.5 0.3
assign (resid 20 and name ha) (resid 20 and name hb*) 3.3 1.5 0.3
assign (resid 23 and name hb) (resid 23 and name ha) 3.6 1.8 0.4
assign (resid 24 and name hb) (resid 24 and name hg2*) 3.6 1.8 0.4
assign (resid 6 and name hn) (resid 6 and name ha2) 2.8 1.0 0.3
assign (resid 11 and name hd*) (resid 11 and name hg11) 3.1     1.3 0.4
assign (resid 36 and name hd1*) (resid 36 and name hg) 3.6 1.8 0.4
assign (resid 22 and name hn) (resid 22 and name ha2) 3.1 1.3 0.4
assign (resid 36 and name hb*) (resid 36 and name ha) 3.1 1.3 0.4
assign (resid 8 and name hb2) (resid 8 and name ha) 3.1 1.3 0.4
assign (resid 3 and name hb2) (resid 3 and name ha) 3.1 1.3 0.4
assign (resid 31 and name hb1) (resid 31 and name ha) 3.1 1.3 0.4
assign (resid 8 and name hb1) (resid 8 and name ha) 3.1 1.3 0.4
assign (resid 35 and name hb*) (resid 35 and name ha) 3.1 1.3 0.4
assign (resid 14 and name hb1) (resid 14 and name ha) 3.1 1.3 0.4
assign (resid 11 and name hg2*) (resid 11 and name hb) 3.6 1.8 0.4
assign (resid 25 and name hb1) (resid 25 and name ha) 3.1 1.3 0.4
assign (resid 14 and name hb2) (resid 14 and name ha) 3.1 1.3 0.4
assign (resid 4 and name hb1) (resid 4 and name ha) 3.1 1.3 0.4
assign (resid 30 and name hb1) (resid 30 and name ha) 3.1 1.3 0.4
assign (resid 5 and name hb2) (resid 5 and name ha) 3.1 1.3 0.4
assign (resid 30 and name hb2) (resid 30 and name ha) 3.1 1.3 0.4
assign (resid 6 and name hn) (resid 6 and name ha1) 2.8 1.0 0.3
assign (resid 16 and name hb1) (resid 16 and name ha) 3.1 1.3 0.4
assign (resid 19 and name hb1) (resid 19 and name ha) 3.1 1.3 0.4
assign (resid 33 and name hb1) (resid 33 and name ha) 3.1 1.3 0.4
assign (resid 24 and name hb) (resid 24 and name ha) 3.1 1.3 0.4
assign (resid 12 and name hn) (resid 12 and name ha2) 2.8 1.0 0.3
assign (resid 25 and name hb2) (resid 25 and name ha) 3.1 1.3 0.4
assign (resid 11 and name hd*) (resid 11 and name hg12) 3.6 1.8 0.4
assign (resid 12 and name hn) (resid 12 and name ha1) 3.1 1.3 0.4
assign (resid 7 and name hn) (resid 7 and name ha) 2.8 1.0 0.3
assign (resid 9 and name hn) (resid 9 and name ha2) 2.8 1.0 0.3
assign (resid 4 and name hb2) (resid 4 and name ha) 3.1 1.3 0.4
assign (resid 21 and name hn) (resid 21 and name ha) 3.1 1.3 0.4
assign (resid 9 and name hn) (resid 9 and name ha1) 2.8 1.0 0.3
assign (resid 28 and name hd2*) (resid 28 and name hg) 2.8 1.0 0.3
assign (resid 23 and name hn) (resid 23 and name ha) 3.5 1.7 0.4
assign (resid 31 and name hb2) (resid 31 and name ha) 3.5 1.7 0.4
assign (resid 3 and name hb1) (resid 3 and name ha) 3.5 1.7 0.4
assign (resid 22 and name hn) (resid 22 and name ha1) 3.5 1.7 0.4
assign (resid 11 and name hd*) (resid 11 and name hg2*) 4.0 2.2 0.4
assign (resid 16 and name hb2) (resid 16 and name ha) 3.5 1.7 0.4
assign (resid 13 and name hn) (resid 13 and name ha) 3.5 1.7 0.4
assign (resid 32 and name hn) (resid 32 and name ha) 3.5 1.7 0.4
assign (resid 25 and name hn) (resid 25 and name ha) 2.8 1.0 0.3
assign (resid 24 and name hn) (resid 24 and name ha) 2.8 1.0 0.3
assign (resid 15 and name hn) (resid 15 and name ha2) 3.5 1.7 0.4
assign (resid 3 and name hn) (resid 3 and name ha) 3.5 1.7 0.4
assign (resid 29 and name hn) (resid 29 and name ha) 3.5 1.7 0.4
assign (resid 17 and name hn) (resid 17 and name ha) 3.5 1.7 0.4
assign (resid 36 and name hn) (resid 36 and name ha) 2.8 1.0 0.3
assign (resid 18 and name hn) (resid 18 and name ha) 3.5 1.7 0.4
assign (resid 35 and name hn) (resid 35 and name ha) 2.8 1.0 0.3
assign (resid 4 and name hn) (resid 4 and name ha) 3.5 1.7 0.4
assign (resid 33 and name hb2) (resid 33 and name ha) 3.5 1.7 0.4
assign (resid 33 and name hn) (resid 33 and name ha) 2.8 1.0 0.3
assign (resid 28 and name hd1*) (resid 28 and name hg) 2.8 1.0 0.3
assign (resid 15 and name ha1) (resid 15 and name hn) 3.5 1.7 0.4
assign (resid 2 and name hn) (resid 2 and name ha) 3.5 1.7 0.4
assign (resid 8 and name hn) (resid 8 and name ha) 3.5 1.7 0.4
assign (resid 28 and name hn) (resid 28 and name ha) 3.5 1.7 0.4
assign (resid 17 and name hg2*) (resid 17 and name hb) 3.3 1.5 0.3
assign (resid 24 and name hn) (resid 24 and name hb) 2.8 1.0 0.3
assign (resid 13 and name hn) (resid 13 and name hb2) 2.8 1.0 0.3
assign (resid 27 and name hn) (resid 27 and name hb) 2.8 1.0 0.3
assign (resid 36 and name hd2*) (resid 36 and name hb2) 3.3 1.5 0.3
assign (resid 31 and name hd*) (resid 31 and name hb1) 2.8 1.0 0.3
assign (resid 5 and name hd*) (resid 5 and name hb1) 2.8 1.0 0.3
assign (resid 5 and name hd*) (resid 5 and name hb2) 2.8 1.0 0.3
assign (resid 13 and name hd*) (resid 13 and name hb2) 2.8 1.0 0.3
assign (resid 35 and name hn) (resid 35 and name hb*) 2.8 1.0 0.3
assign (resid 32 and name hd*) (resid 32 and name hb1) 2.8 1.0 0.3
assign (resid 33 and name hn) (resid 33 and name hb2) 3.1 1.3 0.4
assign (resid 21 and name hn) (resid 21 and name hb*) 3.1 1.3 0.4
assign (resid 4 and name hn) (resid 4 and name hb2) 3.1 1.3 0.4
assign (resid 32 and name hd*) (resid 32 and name hb2) 3.1 1.3 0.4
assign (resid 17 and name hg2*) (resid 17 and name ha) 3.6 1.8 0.4
assign (resid 29 and name hd21) (resid 29 and name hb*) 3.1 1.3 0.4
assign (resid 11 and name hn) (resid 11 and name hg11) 3.1 1.3 0.4
assign (resid 31 and name hd*) (resid 31 and name hb1) 3.1 1.3 0.4
assign (resid 19 and name hn) (resid 19 and name hb2) 3.1 1.3 0.4
assign (resid 25 and name hn) (resid 25 and name hb2) 3.1 1.3 0.4
assign (resid 18 and name hg1*) (resid 18 and name ha) 3.6 1.8 0.4
assign (resid 27 and name hn) (resid 27 and name hg1*) 3.6 1.8 0.4
assign (resid 4 and name hn) (resid 4 and name hb1) 3.1 1.3 0.4
assign (resid 11 and name hg2*) (resid 11 and name ha) 3.6 1.8 0.4
assign (resid 18 and name hg2*) (resid 18 and name ha) 3.6 1.8 0.4
assign (resid 27 and name hg1*) (resid 27 and name ha) 3.6 1.8 0.4
assign (resid 7 and name he21) (resid 7 and name hg1) 3.1 1.3 0.4
assign (resid 11 and name hn) (resid 11 and name hb) 3.1 1.3 0.4
assign (resid 36 and name hn) (resid 36 and name hb2) 3.1 1.3 0.4
assign (resid 36 and name hd1*) (resid 36 and name hb1) 3.6 1.8 0.4
assign (resid 11 and name hd*) (resid 11 and name hb) 3.6 1.8 0.4
assign (resid 25 and name hn) (resid 25 and name hb1) 3.1 1.3 0.4
assign (resid 23 and name hg2*) (resid 23 and name ha) 3.6 1.8 0.4
assign (resid 18 and name hn) (resid 18 and name hg*) 3.6 1.8 0.4
assign (resid 4 and name hd2) (resid 4 and name ha) 3.1 1.3 0.4
assign (resid 24 and name hg2*) (resid 24 and name ha) 3.6 1.8 0.4
assign (resid 31 and name hn) (resid 31 and name hb2) 3.1 1.3 0.4
assign (resid 2 and name hn) (resid 2 and name hb2) 3.1 1.3 0.4
assign (resid 18 and name hn) (resid 18 and name hb) 3.1 1.3 0.4
assign (resid 27 and name hg2*) (resid 27 and name ha) 3.6 1.8 0.4
assign (resid 32 and name hd*) (resid 32 and name ha) 3.1 1.3 0.4
assign (resid 26 and name hn) (resid 26 and name hb2) 3.1 1.3 0.4
assign (resid 31 and name hd*) (resid 31 and name ha) 3.1 1.3 0.4
assign (resid 2 and name hn) (resid 2 and name hb1) 3.1 1.3 0.4
assign (resid 28 and name hn) (resid 28 and name hg) 4.2 2.4 0.8
assign (resid 3 and name hn) (resid 3 and name hb2) 3.5 1.7 0.4
assign (resid 7 and name he21) (resid 7 and name hg2) 3.5 1.7 0.4
assign (resid 3 and name hn) (resid 3 and name hb1) 3.5 1.7 0.4
assign (resid 34 and name he21) (resid 34 and name hg1) 3.5 1.7 0.4
assign (resid 17 and name hn) (resid 17 and name hg2*) 4.0 2.2 0.4
assign (resid 34 and name hn) (resid 34 and name hb1) 3.5 1.7 0.4
assign (resid 33 and name hn) (resid 33 and name hb1) 3.5 1.7 0.4
assign (resid 19 and name hn) (resid 19 and name hb1) 3.5 1.7 0.4
assign (resid 27 and name hn) (resid 27 and name hg2*) 4.0 2.2 0.4
assign (resid 34 and name hn) (resid 34 and name hb2) 3.5 1.7 0.4
assign (resid 32 and name hn) (resid 32 and name hb2) 3.5 1.7 0.4
assign (resid 23 and name hn) (resid 23 and name hg2*) 4.0 2.2 0.4
assign (resid 29 and name hd21) (resid 29 and name hb*) 3.5 1.7 0.4
assign (resid 26 and name he21) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 26 and name hn) (resid 26 and name hb1) 3.5 1.7 0.4
assign (resid 31 and name hn) (resid 31 and name hb1) 3.5 1.7 0.4
assign (resid 11 and name hn) (resid 11 and name hg12) 3.5 1.7 0.4
assign (resid 13 and name hd*) (resid 13 and name ha) 3.5 1.7 0.4
assign (resid 29 and name hn) (resid 29 and name hb*) 3.5 1.7 0.4
assign (resid 7 and name he22) (resid 7 and name hg1) 3.5 1.7 0.4
assign (resid 24 and name hn) (resid 24 and name hg2*) 4.0 2.2 0.4
assign (resid 5 and name hn) (resid 5 and name hb2) 3.5 1.7 0.4
assign (resid 11 and name hn) (resid 11 and name hg2*) 4.0 2.2 0.4
assign (resid 7 and name he22) (resid 7 and name hg2) 3.5 1.7 0.4
assign (resid 34 and name he21) (resid 34 and name hg2) 3.5 1.7 0.4
assign (resid 4 and name hd2) (resid 4 and name hb1) 3.5 1.7 0.4
assign (resid 11 and name hn) (resid 11 and name hd*) 4.0 2.2 0.4
assign (resid 14 and name hn) (resid 14 and name hb2) 3.5 1.7 0.4
assign (resid 34 and name he22) (resid 34 and name hg1) 3.5 1.7 0.4
assign (resid 4 and name hd2) (resid 4 and name hb2) 3.5 1.7 0.4
assign (resid 16 and name hd2) (resid 16 and name hd1) 2.8 1.0 0.3
assign (resid 36 and name hn) (resid 36 and name hd1*) 3.5 1.7 0.4
assign (resid 36 and name hn) (resid 36 and name hd2*) 3.5 1.7 0.4
assign (resid 36 and name hn) (resid 36 and name hg) 3.5 1.7 0.4
assign (resid 29 and name hd21) (resid 29 and name ha) 4.2 2.4 0.8
assign (resid 16 and name hd2) (resid 16 and name ha) 3.5 1.7 0.4
assign (resid 30 and name hd1) (resid 30 and name hg1) 3.5 1.7 0.4
assign (resid 30 and name hd2) (resid 30 and name hg1) 3.5 1.7 0.4
assign (resid 2 and name hb1) (resid 2 and name hg1) 3.5 1.7 0.4
assign (resid 2 and name hb2) (resid 2 and name hb1) 2.8 1.0 0.3
assign (resid 2 and name hb2) (resid 2 and name ha) 2.8 1.0 0.3
assign (resid 2 and name he22) (resid 2 and name hg1) 3.5 1.7 0.4
assign (resid 2 and name he21) (resid 2 and name hg1) 3.5 1.7 0.4
assign (resid 2 and name hn) (resid 2 and name hg1) 4.2 2.4 0.8
assign (resid 2 and name hn) (resid 2 and name hg2) 4.2 2.4 0.8
assign (resid 26 and name he21) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 26 and name he22) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 26 and name hn) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 26 and name hn) (resid 26 and name hg2) 3.5 1.7 0.4
assign (resid 34 and name hn) (resid 34 and name hg2) 3.5 1.7 0.4
assign (resid 7 and name he22) (resid 7 and name hg1) 3.5 1.7 0.4
assign (resid 7 and name hg2) (resid 7 and name ha) 3.5 1.7 0.4
assign (resid 17 and name hn) (resid 17 and name hb) 3.5 1.7 0.4
assign (resid 18 and name hg1*) (resid 18 and name hb) 3.1 1.3 0.4
assign (resid 18 and name hg2*) (resid 18 and name hb) 3.1 1.3 0.4
assign (resid 27 and name hg1*) (resid 27 and name hb) 3.1 1.3 0.4
assign (resid 27 and name hg2*) (resid 27 and name hb) 3.1 1.3 0.4
assign (resid 13 and name hn) (resid 13 and name hd*) 4.2 2.4 0.8
assign (resid 31 and name hd*) (resid 31 and name he*) 2.8 1.0 0.3
assign (resid 31 and name he*) (resid 31 and name ha) 4.2 2.4 0.8
assign (resid 32 and name hn) (resid 32 and name hd*) 4.2 2.4 0.8
assign (resid 5 and name hn) (resid 5 and name hb1) 3.5 1.7 0.4    
assign (resid 19 and name hb2) (resid 19 and name ha) 3.1 1.3 0.4
assign (resid 8 and name hn) (resid 8 and name hb1) 3.5 1.7 0.4
assign (resid 8 and name hn) (resid 8 and name hb2) 3.5 1.7 0.4
assign (resid 12 and name ha1) (resid 12 and name ha2) 2.3 0.5 0.2
assign (resid 11 and name hd*) (resid 11 and name ha) 3.5 1.7 0.4
assign (resid 11 and name hg12) (resid 11 and name ha) 3.1 1.3 0.4
assign (resid 11 and name hn) (resid 11 and name ha) 3.1 1.3 0.4
assign (resid 28 and name hd1*) (resid 28 and name ha) 3.5 1.7 0.4
assign (resid 28 and name hd2*) (resid 28 and name ha) 3.5 1.7 0.4
assign (resid 1 and name hg2*) (resid 1 and name h2) 3.6 1.8 0.4
assign (resid 3 and name hb1) (resid 3 and name h1) 3.5 1.7 0.4    
assign (resid   3 and name hn) (resid 3 and name h2) 3.5 1.7 0.8
assign (resid 3 and name hn) (resid 3 and name h3) 3.5 1.7 0.8

HYDROGEN BONDS AS DISTANCE RESTRAINTS (22 distance restraints for 11 hdrogen bonds for XPLOR)

assign (resid 24 and name hn) (resid 36 and name ot*) 2.0 0.3 0.3
assign (resid 24 and name n) (resid 36 and name ot*) 2.8 0.4 0.5
assign (resid 36 and name hn) (resid 24 and name o) 2.0 0.3 0.3
assign (resid 36 and name n) (resid 24 and name o) 2.8 0.4 0.5
assign (resid 26 and name hn) (resid 34 and name o) 2.0 0.3 0.3
assign (resid 26 and name n) (resid 34 and name o) 2.8 0.4 0.5
assign (resid 34 and name hn) (resid 26 and name o) 2.0 0.3 0.3
assign (resid 34 and name n) (resid 26 and name o) 2.8 0.4 0.5
assign (resid 28 and name hn) (resid 32 and name o) 2.0 0.3 0.3
assign (resid 28 and name n) (resid 32 and name o) 2.8 0.4 0.5
assign (resid 29 and name hn) (resid 32 and name o) 2.0 0.3 0.3
assign (resid 29 and name n) (resid 32 and name o) 2.8 0.4 0.5
assign (resid 35 and name hn) (resid 6 and name o) 2.0 0.3 0.3
assign (resid 35 and name n) (resid 6 and name o) 2.8 0.4 0.5
assign (resid 23 and name hn) (resid 20 and name o) 2.0 0.3 0.3
assign (resid 23 and name n) (resid 20 and name o) 2.8 0.4 0.5
assign (resid 8 and name hn) (resid 33 and name o) 2.0 0.3 0.3
assign (resid 8 and name n) (resid 33 and name o) 2.8 0.4 0.5
assign (resid 32 and name hn) (resid 29 and name o) 2.0 0.3 0.3
assign (resid 32 and name n) (resid 29 and name o) 2.8 0.4 0.5
assign (resid 9 and name hn) (resid 33 and name o) 2.0 0.3 0.3
assign (resid 9 and name n) (resid 33 and name o) 2.8 0.4 0.5

BACKBONE DIHEDRAL ANGLES (XPLOR FORMAT) 

assign (resid       11      and name        c)      (resid  12      and name        ca)
(resid      12      and name        n)      (resid  12      and name        c)      1       120.0   20.0    2 
assign (resid       21      and name        c)      (resid  22      and name        ca)
(resid      22      and name        n)      (resid  22      and name        c)      1       120.0   40.0    2 
assign (resid       9       and name        c)      (resid  10      and name        ca)
(resid      10      and name        n)      (resid  10      and name        c)      1       120.0   40.0    2 
assign (resid       23      and name        c)      (resid  24      and name        ca)
(resid      24      and name        n)      (resid  24      and name        c)      1       120.0   20.0    2 
assign (resid       1       and name        c)      (resid  2       and name        ca)
(resid      2       and name        n)      (resid  2       and name        c)      1       120.0   20.0    2 
assign (resid       35      and name        c)      (resid  36      and name        ca)
(resid      36      and name        n)      (resid  36      and name        c)      1       120.0   20.0    2 
assign (resid       25      and name        c)      (resid  26      and name        ca)
(resid      26      and name        n)      (resid  26      and name        c)      1       120.0   20.0    2 
assign (resid       24      and name        c)      (resid  25      and name        ca)
(resid      25      and name        n)      (resid  25      and name        c)      1       120.0   40.0    2 
assign (resid       18      and name        c)      (resid  19      and name        ca)
(resid      19      and name        n)      (resid  19      and name        c)      1       120.0   40.0    2 
assign (resid       30      and name        c)      (resid  31      and name        ca)
(resid      31      and name        n)      (resid  31      and name        c)      1       120.0   20.0    2 
assign (resid       6       and name        c)      (resid  7       and name        ca)
(resid      7       and name        n)      (resid  7       and name        c)      1       120.0   20.0    2 
assign (resid       27      and name        c)      (resid  28      and name        ca)
(resid      28      and name        n)      (resid  28      and name        c)      1       120.0   20.0    2 
assign (resid       13      and name        c)      (resid  14      and name        ca)
(resid      14      and name        n)      (resid  14      and name        c)      1       120.0   20.0    2 
assign (resid       16      and name        c)      (resid  17      and name        ca)
(resid      17      and name        n)      (resid  17      and name        c)      1       120.0   20.0    2 
assign (resid       22      and name        c)      (resid  23      and name        ca)
(resid      23      and name        n)      (resid  23      and name        c)      1       120.0   20.0    2 
assign (resid       7       and name        c)      (resid  8       and name        ca)
(resid      8       and name        n)      (resid  8       and name        c)      1       120.0   20.0    2  
assign (resid       32      and name        c)      (resid  33      and name        ca)
(resid      33      and name        n)      (resid  33      and name        c)      1       120.0   20.0    2 
assign (resid       17      and name        c)      (resid  18      and name        ca)
(resid      18      and name        n)      (resid  18      and name        c)      1       120.0   20.0    2 
assign (resid       12      and name        c)      (resid  13      and name        ca)
(resid      13      and name        n)      (resid  13      and name        c)      1       120.0   40.0    2  
assign (resid       31      and name        c)      (resid  32      and name        ca)
(resid      32      and name        n)      (resid  32      and name        c)      1       120.0   40.0    2 
assign (resid       5       and name        c)      (resid  6       and name        ca)
(resid      6       and name        n)      (resid  6       and name        c)      1       120.0   40.0    2 
assign (resid       2       and name        c)      (resid  3       and name        ca)
(resid      3       and name        n)      (resid  3       and name        c)      1       120.0   40.0    2 

DIHEDRAL ANGLES TO RESTRAIN MANNOSE TO "CHARIR" CONFORMATION (XPLOR FORMAT)

assign (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name c6) (resid 1 and name o6) 5 176.9 2 2
assign (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c4) (resid 1 and name c3) 5 -60.0 2 2
assign (resid 1 and name c1) (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c4) 5 54.9 2 2
assign (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name o4) 5 180. 2 2
assign (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name h4) 5 -60. 2 2
assign (resid 1 and name c5) (resid 1 and name c4) (resid 1 and name c3) (resid 1 and name c2) 5 60.0 2 2
assign (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name c6) 5 180. 2 2
assign (resid 1 and name c3) (resid 1 and name c4) (resid 1 and name c5) (resid 1 and name h5) 5  60. 2 2
assign (resid 1 and name c5) (resid 1 and name o5) (resid 1 and name c1) (resid 1 and name c2) 5 -60.0 2 2
assign (resid 1 and name c1) (resid 1 and name c2) (resid 1 and name c3) (resid 1 and name c4) 5 -60.0 2 2
assign (resid 1 and name o5) (resid 1 and name c1) (resid 1 and name c2) (resid 1 and name c3) 5 60.0 2 2
assign (resid 1 and name o5) (resid 1 and name c5) (resid 1 and name c6) (resid 1 and name o6) 5 60.0 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name o5) 5 180 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name h1) 5 60.0 2 2
assign (resid 1 and name cb) (resid 1 and name o1) (resid 1 and name c1) (resid 1 and name c2) 5 -60.0 2 2
assign (resid 1 and name h1) (resid 1 and name c1) (resid 1 and name o5) (resid 1 and name c5) 5 180.0 2 2
assign (resid 1       and name  c4)     (resid  1 and name c3) (resid 1 and name c2) (resid  1 and name o2)     5 60.0    2       2
assign (resid 1       and name  c4)     (resid  1 and name c3) (resid 1 and name c2) (resid  1 and name h2)     5 180.0   2       2
assign (resid 3 and name c4) (resid 3 and name c5) (resid 3 and name c6) (resid 3 and name o6) 5 175 2 2
assign (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) 5 -61.7 2 2
assign (resid 3 and name h1) (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) 5 178.0 2 2
assign (resid 3 and name c1) (resid 3 and name o5) (resid 3 and name c5) (resid 3 and name c4) 5 54.9 2 2
assign (resid 3 and name c5) (resid 3 and name c4) (resid 3 and name c3) (resid 3 and name c2) 5 58.21 2 2
assign (resid 3 and name c5) (resid 3 and name o5) (resid 3 and name c1) (resid 3 and name c2) 5 -61.7 2 2
assign (resid 3 and name o5) (resid 3 and name c1) (resid 3 and name c2) (resid 3 and name c3) 5 60.0 2 2
assign (resid 3       and name  c4)     (resid  3 and name c3) (resid 3 and name c2) (resid  3 and name o2)     5 60.0    2       2
assign (resid 3       and name  c4)     (resid  3 and name c3) (resid 3 and name c2) (resid  3 and name h2)     5 180.0   2       2
assign (resid 3       and name  c1)     (resid  3 and name c2) (resid 3 and name c3) (resid  3 and name h3)     5 60.0    2       2
assign (resid 3       and name  c1)     (resid  3 and name c2) (resid 3 and name c3) (resid  3 and name o3)     5 180.0   2       2
assign (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name o4) 5 180. 2 2
assign (resid 3 and name c2) (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name h4) 5 -60. 2 2
assign (resid 3 and name c3) (resid 3 and name c4) (resid 3 and name c5) (resid 3 and name h5) 5  60. 2       2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name o5) 5 180. 2 2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name h1) 5 60.0 2 2
assign (resid 3 and name cb) (resid 3 and name o1) (resid 3 and name c1) (resid 3 and name c2) 5 -60.0 2 2
assign (resid 3 and name h1) (resid 3 and name c1) (resid 3 and name o5) (resid 3 and name c5) 5 180.0 2 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1  -8.518   6.051   2.548
    2    H2   THR   1           H2       THR   1  -7.217   6.793   1.739
    3    H3   THR   1           H3       THR   1  -7.190   6.595   3.454
    4    HA   THR   1           HA       THR   1  -6.031   4.688   2.915
    5    HB   THR   1           HB       THR   1  -7.883   2.796   2.167
    6   HG21  THR   1          HG21      THR   1  -8.751   2.677   4.471
    7   HG22  THR   1          HG22      THR   1  -8.052   4.294   4.872
    8   HG23  THR   1          HG23      THR   1  -6.995   2.908   4.425
    9    H    GLN   2           H        GLN   2  -5.602   2.825   1.233
   10    HA   GLN   2           HA       GLN   2  -5.303   4.018  -1.393
   11    HB2  GLN   2           HB2      GLN   2  -3.515   2.702   0.208
   12    HB3  GLN   2           HB3      GLN   2  -4.420   1.271  -0.324
   13    HG2  GLN   2           HG2      GLN   2  -2.364   1.542  -1.657
   14    HG3  GLN   2           HG3      GLN   2  -3.775   1.726  -2.728
   15   HE21  GLN   2          HE21      GLN   2  -3.108   4.342  -0.588
   16   HE22  GLN   2          HE22      GLN   2  -2.234   5.335  -1.656
   17    H    SER   3           H        SER   3  -5.596   2.419  -3.324
   18    HA   SER   3           HA       SER   3  -8.017   0.910  -3.079
   19    HB2  SER   3           HB2      SER   3  -6.334   0.503  -5.521
   20    HB3  SER   3           HB3      SER   3  -8.037   1.151  -5.373
   21    H    HIS   4           H        HIS   4  -7.816  -1.307  -4.522
   22    HA   HIS   4           HA       HIS   4  -6.235  -3.106  -2.911
   23    HB2  HIS   4           HB2      HIS   4  -8.545  -3.598  -4.037
   24    HB3  HIS   4           HB3      HIS   4  -7.640  -3.800  -5.575
   25    HD1  HIS   4           HD1      HIS   4  -9.140  -6.189  -4.561
   26    HD2  HIS   4           HD2      HIS   4  -5.334  -5.351  -3.001
   27    HE1  HIS   4           HE1      HIS   4  -8.267  -8.325  -3.539
   28    HE2  HIS   4           HE2      HIS   4  -6.259  -7.508  -2.215
   29    H    TYR   5           H        TYR   5  -4.192  -3.685  -3.259
   30    HA   TYR   5           HA       TYR   5  -2.354  -4.269  -4.096
   31    HB2  TYR   5           HB2      TYR   5  -3.308  -3.827  -6.969
   32    HB3  TYR   5           HB3      TYR   5  -1.897  -4.800  -6.422
   33    HD1  TYR   5           HD1      TYR   5  -2.378  -6.828  -4.849
   34    HD2  TYR   5           HD2      TYR   5  -5.407  -4.829  -7.144
   35    HE1  TYR   5           HE1      TYR   5  -3.835  -8.819  -4.656
   36    HE2  TYR   5           HE2      TYR   5  -6.878  -6.820  -6.937
   37    HH   TYR   5           HH       TYR   5  -5.845  -9.721  -5.141
   38    H    GLY   6           H        GLY   6  -3.457  -1.359  -3.878
   39    HA2  GLY   6           HA2      GLY   6  -1.507   0.176  -5.374
   40    HA3  GLY   6           HA3      GLY   6  -2.645   0.750  -4.114
   41    H    GLN   7           H        GLN   7  -0.296   1.970  -3.851
   42    HA   GLN   7           HA       GLN   7   1.447   0.282  -2.196
   43    HB2  GLN   7           HB2      GLN   7   2.385   1.587  -4.043
   44    HB3  GLN   7           HB3      GLN   7   1.754   3.098  -3.341
   45    HG2  GLN   7           HG2      GLN   7   3.258   2.900  -1.379
   46    HG3  GLN   7           HG3      GLN   7   3.721   1.226  -1.849
   47   HE21  GLN   7          HE21      GLN   7   5.942   1.876  -1.894
   48   HE22  GLN   7          HE22      GLN   7   6.559   2.830  -3.238
   49    H    CYS   8           H        CYS   8   1.744   0.641   0.074
   50    HA   CYS   8           HA       CYS   8   0.295   3.029   1.181
   51    HB2  CYS   8           HB2      CYS   8  -0.227   1.687   3.228
   52    HB3  CYS   8           HB3      CYS   8  -1.038   1.163   1.746
   53    H    GLY   9           H        GLY   9   3.301   1.499   0.867
   54    HA2  GLY   9           HA2      GLY   9   4.488   3.411   2.691
   55    HA3  GLY   9           HA3      GLY   9   4.482   1.702   3.283
   56    H    GLY  10           H        GLY  10   6.118   4.002   1.216
   57    HA2  GLY  10           HA2      GLY  10   8.125   1.942   0.787
   58    HA3  GLY  10           HA3      GLY  10   7.401   2.701  -0.692
   59    H    ILE  11           H        ILE  11  10.139   3.008   0.086
   60    HA   ILE  11           HA       ILE  11  10.556   5.424   1.419
   61    HB   ILE  11           HB       ILE  11  12.059   3.864  -0.693
   62   HG12  ILE  11          HG12      ILE  11  11.767   3.118   1.814
   63   HG13  ILE  11          HG13      ILE  11  13.399   3.094   1.112
   64   HG21  ILE  11          HG21      ILE  11  12.810   6.112  -1.208
   65   HG22  ILE  11          HG22      ILE  11  14.068   5.424  -0.127
   66   HG23  ILE  11          HG23      ILE  11  12.854   6.584   0.526
   67   HD11  ILE  11          HD11      ILE  11  12.462   5.570   2.666
   68   HD12  ILE  11          HD12      ILE  11  14.136   5.010   2.304
   69   HD13  ILE  11          HD13      ILE  11  13.131   4.119   3.500
   70    H    GLY  12           H        GLY  12   9.843   4.870  -2.008
   71    HA2  GLY  12           HA2      GLY  12   9.622   7.798  -2.449
   72    HA3  GLY  12           HA3      GLY  12   9.691   6.502  -3.698
   73    H    TYR  13           H        TYR  13   7.657   7.126  -0.763
   74    HA   TYR  13           HA       TYR  13   5.339   7.026  -2.567
   75    HB2  TYR  13           HB2      TYR  13   5.722   4.747  -1.545
   76    HB3  TYR  13           HB3      TYR  13   5.643   5.503   0.092
   77    HD1  TYR  13           HD1      TYR  13   3.714   5.699  -3.141
   78    HD2  TYR  13           HD2      TYR  13   3.570   5.234   1.149
   79    HE1  TYR  13           HE1      TYR  13   1.244   5.653  -3.223
   80    HE2  TYR  13           HE2      TYR  13   1.087   5.210   1.039
   81    HH   TYR  13           HH       TYR  13  -0.510   4.417  -1.074
   82    H    SER  14           H        SER  14   3.719   8.418  -2.149
   83    HA   SER  14           HA       SER  14   3.701   9.852   0.431
   84    HB2  SER  14           HB2      SER  14   3.142  11.992  -0.944
   85    HB3  SER  14           HB3      SER  14   4.839  11.413  -0.998
   86    HG   SER  14           HG       SER  14   4.565  10.680  -3.013
   87    H    GLY  15           H        GLY  15   1.843   8.177  -1.905
   88    HA2  GLY  15           HA2      GLY  15  -0.617   9.525  -1.593
   89    HA3  GLY  15           HA3      GLY  15  -0.335   7.817  -2.086
   90    HA   PRO  16           HA       PRO  16  -2.658   8.044   1.956
   91    HB2  PRO  16           HB2      PRO  16  -4.056   5.681   0.702
   92    HB3  PRO  16           HB3      PRO  16  -4.779   7.128   1.512
   93    HG2  PRO  16           HG2      PRO  16  -4.472   6.569  -1.341
   94    HG3  PRO  16           HG3      PRO  16  -5.120   8.078  -0.626
   95    HD2  PRO  16           HD2      PRO  16  -2.603   7.713  -1.993
   96    HD3  PRO  16           HD3      PRO  16  -3.122   9.191  -1.065
   97    H    THR  17           H        THR  17  -1.846   7.089   3.767
   98    HA   THR  17           HA       THR  17   0.014   4.955   3.406
   99    HB   THR  17           HB       THR  17   0.486   5.538   5.853
  100    HG1  THR  17           HG1      THR  17  -0.549   7.574   6.391
  101   HG21  THR  17          HG21      THR  17   0.289   7.963   3.912
  102   HG22  THR  17          HG22      THR  17   1.568   6.707   3.836
  103   HG23  THR  17          HG23      THR  17   1.424   7.756   5.292
  104    H    VAL  18           H        VAL  18  -3.132   4.750   3.707
  105    HA   VAL  18           HA       VAL  18  -3.128   2.410   5.539
  106    HB   VAL  18           HB       VAL  18  -5.515   4.294   5.107
  107   HG11  VAL  18          HG11      VAL  18  -6.576   3.064   6.876
  108   HG12  VAL  18          HG12      VAL  18  -5.025   2.408   7.499
  109   HG13  VAL  18          HG13      VAL  18  -5.762   1.743   6.002
  110   HG21  VAL  18          HG21      VAL  18  -4.160   5.793   6.263
  111   HG22  VAL  18          HG22      VAL  18  -3.218   4.497   7.081
  112   HG23  VAL  18          HG23      VAL  18  -4.879   4.884   7.644
  113    H    CYS  19           H        CYS  19  -4.551   0.670   4.689
  114    HA   CYS  19           HA       CYS  19  -4.808   0.824   1.777
  115    HB2  CYS  19           HB2      CYS  19  -4.814  -1.394   3.864
  116    HB3  CYS  19           HB3      CYS  19  -5.134  -1.727   2.148
  117    H    ALA  20           H        ALA  20  -6.664   0.008   0.673
  118    HA   ALA  20           HA       ALA  20  -8.922   1.211   0.933
  119    HB1  ALA  20           HB1      ALA  20  -9.217  -1.655   0.021
  120    HB2  ALA  20           HB2      ALA  20  -8.166  -0.539  -0.890
  121    HB3  ALA  20           HB3      ALA  20  -9.899  -0.140  -0.673
  122    H    SER  21           H        SER  21 -11.228   0.679   1.560
  123    HA   SER  21           HA       SER  21 -11.130  -0.148   4.278
  124    HB2  SER  21           HB2      SER  21 -12.711   1.587   3.271
  125    HB3  SER  21           HB3      SER  21 -13.670   0.228   2.590
  126    HG   SER  21           HG       SER  21 -13.660  -0.579   4.856
  127    H    GLY  22           H        GLY  22 -10.882  -2.034   1.736
  128    HA2  GLY  22           HA2      GLY  22 -11.771  -4.462   3.102
  129    HA3  GLY  22           HA3      GLY  22 -12.014  -4.236   1.330
  130    H    THR  23           H        THR  23  -9.025  -2.837   2.507
  131    HA   THR  23           HA       THR  23  -7.601  -5.269   1.655
  132    HB   THR  23           HB       THR  23  -5.943  -4.092   0.326
  133    HG1  THR  23           HG1      THR  23  -7.351  -1.941   1.154
  134   HG21  THR  23          HG21      THR  23  -7.959  -2.992  -1.389
  135   HG22  THR  23          HG22      THR  23  -8.725  -4.408  -0.564
  136   HG23  THR  23          HG23      THR  23  -7.185  -4.606  -1.448
  137    H    THR  24           H        THR  24  -5.417  -5.398   2.444
  138    HA   THR  24           HA       THR  24  -5.015  -3.806   4.932
  139    HB   THR  24           HB       THR  24  -3.556  -6.424   4.762
  140    HG1  THR  24           HG1      THR  24  -6.061  -6.407   3.965
  141   HG21  THR  24          HG21      THR  24  -5.574  -5.135   6.728
  142   HG22  THR  24          HG22      THR  24  -3.773  -4.961   6.850
  143   HG23  THR  24          HG23      THR  24  -4.551  -6.579   7.048
  144    H    CYS  25           H        CYS  25  -2.914  -2.979   5.529
  145    HA   CYS  25           HA       CYS  25  -1.087  -2.708   3.266
  146    HB2  CYS  25           HB2      CYS  25  -1.606  -0.659   4.723
  147    HB3  CYS  25           HB3      CYS  25  -0.834  -1.493   6.082
  148    H    GLN  26           H        GLN  26  -0.042  -4.540   2.864
  149    HA   GLN  26           HA       GLN  26   1.478  -5.673   5.142
  150    HB2  GLN  26           HB2      GLN  26   0.868  -7.174   2.569
  151    HB3  GLN  26           HB3      GLN  26   1.436  -7.800   4.145
  152    HG2  GLN  26           HG2      GLN  26  -0.795  -7.162   5.194
  153    HG3  GLN  26           HG3      GLN  26  -1.380  -6.596   3.604
  154   HE21  GLN  26          HE21      GLN  26  -2.624  -8.106   2.558
  155   HE22  GLN  26          HE22      GLN  26  -2.476  -9.831   2.762
  156    H    VAL  27           H        VAL  27   3.534  -5.302   5.103
  157    HA   VAL  27           HA       VAL  27   4.814  -3.806   3.126
  158    HB   VAL  27           HB       VAL  27   5.949  -5.455   5.413
  159   HG11  VAL  27          HG11      VAL  27   7.224  -3.236   3.653
  160   HG12  VAL  27          HG12      VAL  27   7.749  -4.960   3.750
  161   HG13  VAL  27          HG13      VAL  27   7.936  -3.887   5.173
  162   HG21  VAL  27          HG21      VAL  27   4.350  -3.702   6.207
  163   HG22  VAL  27          HG22      VAL  27   5.102  -2.483   5.121
  164   HG23  VAL  27          HG23      VAL  27   6.029  -3.138   6.512
  165    H    LEU  28           H        LEU  28   6.272  -4.285   1.520
  166    HA   LEU  28           HA       LEU  28   6.357  -7.130   0.714
  167    HB2  LEU  28           HB2      LEU  28   6.116  -4.503  -0.743
  168    HB3  LEU  28           HB3      LEU  28   7.382  -5.567  -1.442
  169    HG   LEU  28           HG       LEU  28   5.517  -5.988  -2.710
  170   HD11  LEU  28          HD11      LEU  28   6.812  -8.011  -1.570
  171   HD12  LEU  28          HD12      LEU  28   5.348  -8.304  -2.584
  172   HD13  LEU  28          HD13      LEU  28   5.221  -8.322  -0.784
  173   HD21  LEU  28          HD21      LEU  28   3.993  -5.515  -0.192
  174   HD22  LEU  28          HD22      LEU  28   3.383  -6.920  -1.133
  175   HD23  LEU  28          HD23      LEU  28   3.524  -5.311  -1.918
  176    H    ASN  29           H        ASN  29   8.385  -4.261   0.287
  177    HA   ASN  29           HA       ASN  29  10.725  -5.893   1.061
  178    HB2  ASN  29           HB2      ASN  29  11.027  -3.841  -1.199
  179    HB3  ASN  29           HB3      ASN  29  11.968  -5.348  -0.878
  180   HD21  ASN  29          HD21      ASN  29  10.527  -4.207  -3.351
  181   HD22  ASN  29          HD22      ASN  29   9.530  -5.554  -3.855
  182    HA   PRO  30           HA       PRO  30  11.604  -2.275   3.385
  183    HB2  PRO  30           HB2      PRO  30  14.439  -1.841   2.406
  184    HB3  PRO  30           HB3      PRO  30  13.891  -2.409   4.021
  185    HG2  PRO  30           HG2      PRO  30  15.151  -4.073   2.147
  186    HG3  PRO  30           HG3      PRO  30  13.963  -4.673   3.377
  187    HD2  PRO  30           HD2      PRO  30  13.491  -4.047   0.426
  188    HD3  PRO  30           HD3      PRO  30  12.850  -5.415   1.449
  189    H    TYR  31           H        TYR  31  11.384  -1.965   0.183
  190    HA   TYR  31           HA       TYR  31  11.524   0.983   0.207
  191    HB2  TYR  31           HB2      TYR  31  12.485  -0.947  -2.013
  192    HB3  TYR  31           HB3      TYR  31  12.245   0.820  -2.274
  193    HD1  TYR  31           HD2      TYR  31  14.353  -1.737  -0.541
  194    HD2  TYR  31           HD1      TYR  31  13.691   2.447  -1.248
  195    HE1  TYR  31           HE2      TYR  31  16.548  -1.204   0.491
  196    HE2  TYR  31           HE1      TYR  31  15.860   2.973  -0.194
  197    HH   TYR  31           HH       TYR  31  17.637   2.151   0.932
  198    H    TYR  32           H        TYR  32   9.364  -1.566   0.185
  199    HA   TYR  32           HA       TYR  32   7.405  -0.026  -1.215
  200    HB2  TYR  32           HB2      TYR  32   8.553  -1.130  -3.192
  201    HB3  TYR  32           HB3      TYR  32   8.294  -2.734  -2.415
  202    HD1  TYR  32           HD2      TYR  32   6.499   0.284  -3.705
  203    HD2  TYR  32           HD1      TYR  32   6.306  -3.908  -2.924
  204    HE1  TYR  32           HE2      TYR  32   4.160   0.244  -4.559
  205    HE2  TYR  32           HE1      TYR  32   4.006  -3.984  -3.842
  206    HH   TYR  32           HH       TYR  32   2.185  -1.056  -4.568
  207    H    SER  33           H        SER  33   5.282  -0.568  -0.563
  208    HA   SER  33           HA       SER  33   4.742  -3.079   0.790
  209    HB2  SER  33           HB2      SER  33   3.924  -0.400   2.124
  210    HB3  SER  33           HB3      SER  33   3.611  -2.044   2.740
  211    HG   SER  33           HG       SER  33   6.041  -0.582   2.537
  212    H    GLN  34           H        GLN  34   2.446  -3.574   0.523
  213    HA   GLN  34           HA       GLN  34   1.033  -1.559  -1.093
  214    HB2  GLN  34           HB2      GLN  34   0.697  -2.945  -2.922
  215    HB3  GLN  34           HB3      GLN  34   2.334  -3.439  -2.425
  216    HG2  GLN  34           HG2      GLN  34   1.324  -5.440  -1.188
  217    HG3  GLN  34           HG3      GLN  34  -0.294  -4.952  -1.769
  218   HE21  GLN  34          HE21      GLN  34  -0.146  -4.384  -4.363
  219   HE22  GLN  34          HE22      GLN  34   0.413  -5.807  -5.207
  220    H    CYS  35           H        CYS  35  -1.200  -2.366  -1.576
  221    HA   CYS  35           HA       CYS  35  -2.420  -3.217   0.966
  222    HB2  CYS  35           HB2      CYS  35  -3.378  -1.577  -1.447
  223    HB3  CYS  35           HB3      CYS  35  -4.429  -1.977  -0.050
  224    H    LEU  36           H        LEU  36  -3.524  -5.147   1.129
  225    HA   LEU  36           HA       LEU  36  -4.382  -6.396  -1.423
  226    HB2  LEU  36           HB2      LEU  36  -3.559  -7.801   1.143
  227    HB3  LEU  36           HB3      LEU  36  -3.927  -8.548  -0.436
  228    HG   LEU  36           HG       LEU  36  -1.586  -8.668  -0.114
  229   HD11  LEU  36          HD11      LEU  36  -1.944  -6.276  -2.029
  230   HD12  LEU  36          HD12      LEU  36  -2.510  -7.930  -2.419
  231   HD13  LEU  36          HD13      LEU  36  -0.751  -7.621  -2.136
  232   HD21  LEU  36          HD21      LEU  36  -0.129  -7.073   0.740
  233   HD22  LEU  36          HD22      LEU  36  -1.659  -6.525   1.528
  234   HD23  LEU  36          HD23      LEU  36  -1.050  -5.682   0.094
  235    H1   MAN 101           H1       MAN  37 -10.086   2.435   2.064
  236    H2   MAN 101           H2       MAN  37  -8.683   3.216   0.131
  237    H3   MAN 101           H3       MAN  37  -9.126   5.568   0.442
  238    H4   MAN 101           H4       MAN  37 -11.849   5.077  -0.773
  239    H5   MAN 101           H5       MAN  37 -11.105   5.848   2.111
  240    H61  MAN 101           H61      MAN  37 -13.735   5.015   0.789
  241    H62  MAN 101           H62      MAN  37 -13.303   6.663   1.375
  242    HO2  MAN 101           HO2      MAN  37 -11.356   2.999  -0.791
  243    HO3  MAN 101           HO3      MAN  37  -8.739   5.966  -1.597
  244    HO4  MAN 101           HO4      MAN  37 -11.565   7.171  -1.076
  245    HO6  MAN 101           HO6      MAN  37 -13.151   5.651   3.550
  246    H1   MAN 102           H1       MAN  38  -7.609   3.106  -6.802
  247    H2   MAN 102           H2       MAN  38  -6.225   1.123  -7.468
  248    H3   MAN 102           H3       MAN  38  -4.349   1.611  -5.899
  249    H4   MAN 102           H4       MAN  38  -3.714   3.837  -7.898
  250    H5   MAN 102           H5       MAN  38  -4.515   3.973  -4.943
  251    H61  MAN 102           H61      MAN  38  -4.371   6.219  -7.029
  252    H62  MAN 102           H62      MAN  38  -3.042   5.856  -5.871
  253    HO2  MAN 102           HO2      MAN  38  -5.159   2.143  -9.276
  254    HO3  MAN 102           HO3      MAN  38  -2.660   1.420  -7.673
  255    HO4  MAN 102           HO4      MAN  38  -2.332   3.521  -5.432
  256    HO6  MAN 102           HO6      MAN  38  -5.749   6.302  -5.087
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -8.372   6.315   1.801
    2    H2   THR   1           H2       THR   1  -7.012   6.604   2.779
    3    H3   THR   1           H3       THR   1  -8.323   5.657   3.357
    4    HA   THR   1           HA       THR   1  -6.214   4.519   2.446
    5    HB   THR   1           HB       THR   1  -7.924   2.585   1.662
    6   HG21  THR   1          HG21      THR   1  -8.830   2.238   3.928
    7   HG22  THR   1          HG22      THR   1  -8.294   3.876   4.452
    8   HG23  THR   1          HG23      THR   1  -7.102   2.639   3.943
    9    H    GLN   2           H        GLN   2  -6.106   2.854   0.228
   10    HA   GLN   2           HA       GLN   2  -6.754   4.555  -2.129
   11    HB2  GLN   2           HB2      GLN   2  -4.825   3.008  -3.229
   12    HB3  GLN   2           HB3      GLN   2  -4.460   4.463  -2.396
   13    HG2  GLN   2           HG2      GLN   2  -4.595   1.764  -0.801
   14    HG3  GLN   2           HG3      GLN   2  -3.167   2.124  -1.819
   15   HE21  GLN   2          HE21      GLN   2  -3.978   5.119  -0.941
   16   HE22  GLN   2          HE22      GLN   2  -2.931   5.221   0.433
   17    H    SER   3           H        SER   3  -5.619   1.217  -2.386
   18    HA   SER   3           HA       SER   3  -8.243   0.272  -3.141
   19    HB2  SER   3           HB2      SER   3  -6.370  -0.036  -5.468
   20    HB3  SER   3           HB3      SER   3  -8.139   0.398  -5.462
   21    H    HIS   4           H        HIS   4  -7.768  -1.909  -4.447
   22    HA   HIS   4           HA       HIS   4  -6.047  -3.440  -2.708
   23    HB2  HIS   4           HB2      HIS   4  -8.271  -4.227  -3.816
   24    HB3  HIS   4           HB3      HIS   4  -7.349  -4.376  -5.352
   25    HD1  HIS   4           HD1      HIS   4  -8.585  -6.879  -4.282
   26    HD2  HIS   4           HD2      HIS   4  -4.909  -5.612  -2.704
   27    HE1  HIS   4           HE1      HIS   4  -7.474  -8.901  -3.238
   28    HE2  HIS   4           HE2      HIS   4  -5.504  -7.944  -2.010
   29    H    TYR   5           H        TYR   5  -3.953  -3.929  -3.042
   30    HA   TYR   5           HA       TYR   5  -2.042  -4.242  -3.852
   31    HB2  TYR   5           HB2      TYR   5  -3.032  -3.978  -6.727
   32    HB3  TYR   5           HB3      TYR   5  -1.541  -4.800  -6.148
   33    HD1  TYR   5           HD1      TYR   5  -1.875  -6.846  -4.496
   34    HD2  TYR   5           HD2      TYR   5  -5.014  -5.171  -6.906
   35    HE1  TYR   5           HE1      TYR   5  -3.139  -8.961  -4.320
   36    HE2  TYR   5           HE2      TYR   5  -6.292  -7.281  -6.705
   37    HH   TYR   5           HH       TYR   5  -6.237  -9.452  -6.006
   38    H    GLY   6           H        GLY   6  -3.435  -1.522  -3.589
   39    HA2  GLY   6           HA2      GLY   6  -1.736   0.318  -5.031
   40    HA3  GLY   6           HA3      GLY   6  -2.826   0.658  -3.622
   41    H    GLN   7           H        GLN   7  -0.410   1.981  -3.677
   42    HA   GLN   7           HA       GLN   7   1.366   0.388  -1.992
   43    HB2  GLN   7           HB2      GLN   7   2.204   1.688  -3.894
   44    HB3  GLN   7           HB3      GLN   7   1.557   3.194  -3.182
   45    HG2  GLN   7           HG2      GLN   7   3.142   2.976  -1.228
   46    HG3  GLN   7           HG3      GLN   7   3.672   1.363  -1.839
   47   HE21  GLN   7          HE21      GLN   7   5.834   2.236  -1.966
   48   HE22  GLN   7          HE22      GLN   7   6.264   3.344  -3.279
   49    H    CYS   8           H        CYS   8   1.794   0.901   0.169
   50    HA   CYS   8           HA       CYS   8   0.363   3.231   1.347
   51    HB2  CYS   8           HB2      CYS   8  -1.071   1.741   2.238
   52    HB3  CYS   8           HB3      CYS   8   0.004   0.358   1.948
   53    H    GLY   9           H        GLY   9   3.347   1.470   1.029
   54    HA2  GLY   9           HA2      GLY   9   4.635   3.370   2.865
   55    HA3  GLY   9           HA3      GLY   9   4.569   1.644   3.374
   56    H    GLY  10           H        GLY  10   5.732   3.830   0.761
   57    HA2  GLY  10           HA2      GLY  10   8.152   2.151   0.725
   58    HA3  GLY  10           HA3      GLY  10   7.327   2.522  -0.837
   59    H    ILE  11           H        ILE  11   9.938   3.375  -0.125
   60    HA   ILE  11           HA       ILE  11  10.061   5.983   0.767
   61    HB   ILE  11           HB       ILE  11  11.713   4.169  -0.972
   62   HG12  ILE  11          HG12      ILE  11  13.470   5.039   0.782
   63   HG13  ILE  11          HG13      ILE  11  12.082   5.764   1.636
   64   HG21  ILE  11          HG21      ILE  11  12.226   7.208  -0.768
   65   HG22  ILE  11          HG22      ILE  11  11.980   6.239  -2.273
   66   HG23  ILE  11          HG23      ILE  11  13.452   5.995  -1.284
   67   HD11  ILE  11          HD11      ILE  11  12.345   3.689   2.758
   68   HD12  ILE  11          HD12      ILE  11  12.867   2.825   1.287
   69   HD13  ILE  11          HD13      ILE  11  11.126   3.202   1.545
   70    H    GLY  12           H        GLY  12   9.068   4.822  -2.381
   71    HA2  GLY  12           HA2      GLY  12   8.561   7.602  -3.306
   72    HA3  GLY  12           HA3      GLY  12   8.520   6.091  -4.288
   73    H    TYR  13           H        TYR  13   6.896   7.402  -1.313
   74    HA   TYR  13           HA       TYR  13   4.381   6.763  -2.666
   75    HB2  TYR  13           HB2      TYR  13   4.987   4.844  -1.067
   76    HB3  TYR  13           HB3      TYR  13   5.034   6.040   0.280
   77    HD1  TYR  13           HD1      TYR  13   2.813   5.402  -2.699
   78    HD2  TYR  13           HD2      TYR  13   3.050   5.887   1.587
   79    HE1  TYR  13           HE1      TYR  13   0.370   5.303  -2.554
   80    HE2  TYR  13           HE2      TYR  13   0.570   5.804   1.702
   81    HH   TYR  13           HH       TYR  13  -1.119   4.487  -0.324
   82    H    SER  14           H        SER  14   2.825   8.306  -2.492
   83    HA   SER  14           HA       SER  14   2.979  10.246  -0.299
   84    HB2  SER  14           HB2      SER  14   3.158  11.036  -3.265
   85    HB3  SER  14           HB3      SER  14   2.750  12.192  -1.943
   86    HG   SER  14           HG       SER  14   5.009  10.616  -1.527
   87    H    GLY  15           H        GLY  15   1.065   8.837   0.235
   88    HA2  GLY  15           HA2      GLY  15  -1.272  10.232  -0.552
   89    HA3  GLY  15           HA3      GLY  15  -1.153   8.567  -1.277
   90    HA   PRO  16           HA       PRO  16  -3.207   8.426   2.924
   91    HB2  PRO  16           HB2      PRO  16  -4.702   6.135   1.707
   92    HB3  PRO  16           HB3      PRO  16  -5.347   7.660   2.430
   93    HG2  PRO  16           HG2      PRO  16  -4.791   6.958  -0.443
   94    HG3  PRO  16           HG3      PRO  16  -5.810   8.289   0.178
   95    HD2  PRO  16           HD2      PRO  16  -3.331   8.601  -1.045
   96    HD3  PRO  16           HD3      PRO  16  -3.943   9.774   0.208
   97    H    THR  17           H        THR  17  -2.274   7.303   4.640
   98    HA   THR  17           HA       THR  17  -0.525   5.109   3.919
   99    HB   THR  17           HB       THR  17  -0.962   6.456   6.613
  100    HG1  THR  17           HG1      THR  17   0.127   7.964   5.640
  101   HG21  THR  17          HG21      THR  17   0.312   4.632   7.291
  102   HG22  THR  17          HG22      THR  17   1.677   5.525   6.534
  103   HG23  THR  17          HG23      THR  17   0.840   4.220   5.624
  104    H    VAL  18           H        VAL  18  -3.178   4.329   3.530
  105    HA   VAL  18           HA       VAL  18  -3.489   2.194   5.490
  106    HB   VAL  18           HB       VAL  18  -5.852   4.075   4.957
  107   HG11  VAL  18          HG11      VAL  18  -7.080   2.675   6.525
  108   HG12  VAL  18          HG12      VAL  18  -5.583   1.973   7.220
  109   HG13  VAL  18          HG13      VAL  18  -6.161   1.449   5.608
  110   HG21  VAL  18          HG21      VAL  18  -4.274   3.862   7.584
  111   HG22  VAL  18          HG22      VAL  18  -5.732   4.873   7.269
  112   HG23  VAL  18          HG23      VAL  18  -4.179   5.255   6.452
  113    H    CYS  19           H        CYS  19  -4.383   0.424   4.455
  114    HA   CYS  19           HA       CYS  19  -4.630   0.679   1.582
  115    HB2  CYS  19           HB2      CYS  19  -4.503  -1.529   3.677
  116    HB3  CYS  19           HB3      CYS  19  -4.768  -1.948   1.975
  117    H    ALA  20           H        ALA  20  -6.476  -0.256   0.397
  118    HA   ALA  20           HA       ALA  20  -8.829   0.924   0.635
  119    HB1  ALA  20           HB1      ALA  20  -9.669  -0.540  -0.998
  120    HB2  ALA  20           HB2      ALA  20  -8.964  -1.974  -0.182
  121    HB3  ALA  20           HB3      ALA  20  -7.898  -0.885  -1.077
  122    H    SER  21           H        SER  21 -11.141   0.351   1.390
  123    HA   SER  21           HA       SER  21 -11.107  -0.486   4.006
  124    HB2  SER  21           HB2      SER  21 -13.516  -0.321   2.103
  125    HB3  SER  21           HB3      SER  21 -13.537  -0.174   3.909
  126    HG   SER  21           HG       SER  21 -13.239   1.844   2.299
  127    H    GLY  22           H        GLY  22 -10.608  -2.497   1.637
  128    HA2  GLY  22           HA2      GLY  22 -11.583  -4.868   3.048
  129    HA3  GLY  22           HA3      GLY  22 -11.717  -4.738   1.250
  130    H    THR  23           H        THR  23  -8.891  -3.151   2.476
  131    HA   THR  23           HA       THR  23  -7.293  -5.545   1.942
  132    HB   THR  23           HB       THR  23  -5.659  -4.360   0.596
  133    HG1  THR  23           HG1      THR  23  -6.853  -2.283   1.446
  134   HG21  THR  23          HG21      THR  23  -8.220  -5.152  -0.379
  135   HG22  THR  23          HG22      THR  23  -6.703  -4.912  -1.280
  136   HG23  THR  23          HG23      THR  23  -7.881  -3.559  -1.175
  137    H    THR  24           H        THR  24  -5.270  -5.576   2.903
  138    HA   THR  24           HA       THR  24  -4.833  -3.634   5.127
  139    HB   THR  24           HB       THR  24  -5.250  -5.917   5.865
  140    HG1  THR  24           HG1      THR  24  -3.072  -6.346   6.743
  141   HG21  THR  24          HG21      THR  24  -4.639  -7.568   4.401
  142   HG22  THR  24          HG22      THR  24  -2.962  -7.408   5.039
  143   HG23  THR  24          HG23      THR  24  -3.463  -6.550   3.545
  144    H    CYS  25           H        CYS  25  -2.480  -3.272   5.781
  145    HA   CYS  25           HA       CYS  25  -0.889  -2.765   3.332
  146    HB2  CYS  25           HB2      CYS  25  -1.510  -0.770   4.772
  147    HB3  CYS  25           HB3      CYS  25  -0.618  -1.497   6.124
  148    H    GLN  26           H        GLN  26   0.530  -4.324   2.910
  149    HA   GLN  26           HA       GLN  26   2.073  -5.366   5.218
  150    HB2  GLN  26           HB2      GLN  26   1.522  -7.018   2.728
  151    HB3  GLN  26           HB3      GLN  26   2.206  -7.553   4.279
  152    HG2  GLN  26           HG2      GLN  26   0.026  -7.333   5.429
  153    HG3  GLN  26           HG3      GLN  26  -0.718  -6.549   4.001
  154   HE21  GLN  26          HE21      GLN  26  -2.178  -7.994   3.202
  155   HE22  GLN  26          HE22      GLN  26  -1.839  -9.664   2.857
  156    H    VAL  27           H        VAL  27   4.158  -5.028   5.067
  157    HA   VAL  27           HA       VAL  27   5.273  -3.539   3.007
  158    HB   VAL  27           HB       VAL  27   6.691  -5.140   5.163
  159   HG11  VAL  27          HG11      VAL  27   7.584  -2.918   3.201
  160   HG12  VAL  27          HG12      VAL  27   8.376  -4.497   3.546
  161   HG13  VAL  27          HG13      VAL  27   8.418  -3.175   4.767
  162   HG21  VAL  27          HG21      VAL  27   5.636  -2.222   5.125
  163   HG22  VAL  27          HG22      VAL  27   6.693  -2.927   6.390
  164   HG23  VAL  27          HG23      VAL  27   5.028  -3.552   6.166
  165    H    LEU  28           H        LEU  28   6.745  -3.949   1.373
  166    HA   LEU  28           HA       LEU  28   6.713  -6.756   0.462
  167    HB2  LEU  28           HB2      LEU  28   6.092  -4.259  -0.847
  168    HB3  LEU  28           HB3      LEU  28   7.668  -4.707  -1.529
  169    HG   LEU  28           HG       LEU  28   6.261  -5.673  -3.037
  170   HD11  LEU  28          HD11      LEU  28   6.185  -8.095  -1.200
  171   HD12  LEU  28          HD12      LEU  28   7.786  -7.459  -1.727
  172   HD13  LEU  28          HD13      LEU  28   6.574  -7.991  -2.952
  173   HD21  LEU  28          HD21      LEU  28   4.178  -5.074  -1.862
  174   HD22  LEU  28          HD22      LEU  28   4.405  -6.425  -0.691
  175   HD23  LEU  28          HD23      LEU  28   4.111  -6.789  -2.430
  176    H    ASN  29           H        ASN  29   8.764  -3.884   0.141
  177    HA   ASN  29           HA       ASN  29  11.149  -5.537   0.675
  178    HB2  ASN  29           HB2      ASN  29  11.178  -3.284  -1.454
  179    HB3  ASN  29           HB3      ASN  29  12.352  -4.632  -1.221
  180   HD21  ASN  29          HD21      ASN  29   9.969  -3.586  -3.302
  181   HD22  ASN  29          HD22      ASN  29   9.465  -5.157  -3.886
  182    HA   PRO  30           HA       PRO  30  11.932  -2.093   3.292
  183    HB2  PRO  30           HB2      PRO  30  14.745  -1.605   2.169
  184    HB3  PRO  30           HB3      PRO  30  14.276  -2.030   3.854
  185    HG2  PRO  30           HG2      PRO  30  15.451  -3.877   2.165
  186    HG3  PRO  30           HG3      PRO  30  14.145  -4.366   3.323
  187    HD2  PRO  30           HD2      PRO  30  13.899  -3.771   0.328
  188    HD3  PRO  30           HD3      PRO  30  13.163  -5.117   1.314
  189    H    TYR  31           H        TYR  31  11.640  -1.565   0.149
  190    HA   TYR  31           HA       TYR  31  11.618   1.360   0.322
  191    HB2  TYR  31           HB2      TYR  31  12.907  -0.398  -1.846
  192    HB3  TYR  31           HB3      TYR  31  12.309   1.249  -2.258
  193    HD1  TYR  31           HD2      TYR  31  14.655  -0.581   0.082
  194    HD2  TYR  31           HD1      TYR  31  13.555   3.152  -1.737
  195    HE1  TYR  31           HE2      TYR  31  16.601   0.516   1.148
  196    HE2  TYR  31           HE1      TYR  31  15.534   4.227  -0.712
  197    HH   TYR  31           HH       TYR  31  17.136   3.028   1.860
  198    H    TYR  32           H        TYR  32   9.576  -1.232   0.167
  199    HA   TYR  32           HA       TYR  32   7.590   0.328  -1.188
  200    HB2  TYR  32           HB2      TYR  32   8.724  -0.670  -3.205
  201    HB3  TYR  32           HB3      TYR  32   8.534  -2.307  -2.478
  202    HD1  TYR  32           HD2      TYR  32   6.579   0.694  -3.551
  203    HD2  TYR  32           HD1      TYR  32   6.624  -3.546  -3.110
  204    HE1  TYR  32           HE2      TYR  32   4.239   0.581  -4.421
  205    HE2  TYR  32           HE1      TYR  32   4.321  -3.688  -4.003
  206    HH   TYR  32           HH       TYR  32   2.737  -2.336  -5.334
  207    H    SER  33           H        SER  33   5.444  -0.279  -0.571
  208    HA   SER  33           HA       SER  33   5.020  -2.863   0.694
  209    HB2  SER  33           HB2      SER  33   4.050  -0.294   2.116
  210    HB3  SER  33           HB3      SER  33   3.781  -1.974   2.641
  211    HG   SER  33           HG       SER  33   6.189  -0.449   2.566
  212    H    GLN  34           H        GLN  34   2.855  -3.550   0.331
  213    HA   GLN  34           HA       GLN  34   1.308  -1.628  -1.298
  214    HB2  GLN  34           HB2      GLN  34   0.795  -3.210  -2.911
  215    HB3  GLN  34           HB3      GLN  34   2.531  -3.466  -2.608
  216    HG2  GLN  34           HG2      GLN  34   2.045  -5.478  -1.165
  217    HG3  GLN  34           HG3      GLN  34   0.301  -5.229  -1.359
  218   HE21  GLN  34          HE21      GLN  34  -0.084  -4.725  -4.014
  219   HE22  GLN  34          HE22      GLN  34   0.399  -6.168  -4.900
  220    H    CYS  35           H        CYS  35  -0.941  -2.636  -1.651
  221    HA   CYS  35           HA       CYS  35  -2.087  -3.271   0.968
  222    HB2  CYS  35           HB2      CYS  35  -3.181  -1.857  -1.533
  223    HB3  CYS  35           HB3      CYS  35  -4.183  -2.196  -0.092
  224    H    LEU  36           H        LEU  36  -3.308  -5.148   1.317
  225    HA   LEU  36           HA       LEU  36  -4.024  -6.692  -1.113
  226    HB2  LEU  36           HB2      LEU  36  -3.185  -7.886   1.546
  227    HB3  LEU  36           HB3      LEU  36  -3.445  -8.721  -0.008
  228    HG   LEU  36           HG       LEU  36  -1.119  -8.676   0.447
  229   HD11  LEU  36          HD11      LEU  36  -0.288  -7.867  -1.629
  230   HD12  LEU  36          HD12      LEU  36  -1.410  -6.458  -1.654
  231   HD13  LEU  36          HD13      LEU  36  -2.052  -8.104  -1.945
  232   HD21  LEU  36          HD21      LEU  36  -0.734  -5.661   0.433
  233   HD22  LEU  36          HD22      LEU  36   0.182  -6.955   1.251
  234   HD23  LEU  36          HD23      LEU  36  -1.407  -6.396   1.903
  235    H1   MAN 101           H1       MAN  37 -10.170   2.053   1.676
  236    H2   MAN 101           H2       MAN  37  -8.869   2.835  -0.316
  237    H3   MAN 101           H3       MAN  37  -9.508   5.238   0.131
  238    H4   MAN 101           H4       MAN  37 -12.114   4.445  -1.182
  239    H5   MAN 101           H5       MAN  37 -11.463   5.396   1.681
  240    H61  MAN 101           H61      MAN  37 -13.980   4.208   0.397
  241    H62  MAN 101           H62      MAN  37 -13.728   5.945   0.832
  242    HO2  MAN 101           HO2      MAN  37 -10.521   1.353  -0.892
  243    HO3  MAN 101           HO3      MAN  37  -9.654   4.197  -2.481
  244    HO4  MAN 101           HO4      MAN  37 -11.144   6.581  -1.542
  245    HO6  MAN 101           HO6      MAN  37 -14.860   4.704   2.507
  246    H1   MAN 102           H1       MAN  38  -7.664   2.073  -7.180
  247    H2   MAN 102           H2       MAN  38  -5.787   0.436  -7.302
  248    H3   MAN 102           H3       MAN  38  -4.455   1.517  -5.485
  249    H4   MAN 102           H4       MAN  38  -3.809   3.586  -7.633
  250    H5   MAN 102           H5       MAN  38  -5.374   3.909  -5.015
  251    H61  MAN 102           H61      MAN  38  -5.035   5.838  -7.362
  252    H62  MAN 102           H62      MAN  38  -4.147   5.945  -5.800
  253    HO2  MAN 102           HO2      MAN  38  -4.882   1.205  -9.160
  254    HO3  MAN 102           HO3      MAN  38  -3.341   0.060  -6.867
  255    HO4  MAN 102           HO4      MAN  38  -2.967   3.446  -4.878
  256    HO6  MAN 102           HO6      MAN  38  -6.992   5.956  -6.108
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -6.623   5.997   3.842
    2    H2   THR   1           H2       THR   1  -8.227   5.457   3.572
    3    H3   THR   1           H3       THR   1  -7.450   6.424   2.398
    4    HA   THR   1           HA       THR   1  -5.902   4.218   2.816
    5    HB   THR   1           HB       THR   1  -7.798   2.473   2.014
    6   HG21  THR   1          HG21      THR   1  -6.778   2.310   4.229
    7   HG22  THR   1          HG22      THR   1  -8.508   1.933   4.288
    8   HG23  THR   1          HG23      THR   1  -7.910   3.510   4.932
    9    H    GLN   2           H        GLN   2  -6.135   2.753   0.419
   10    HA   GLN   2           HA       GLN   2  -6.874   4.709  -1.693
   11    HB2  GLN   2           HB2      GLN   2  -5.045   3.316  -3.099
   12    HB3  GLN   2           HB3      GLN   2  -4.602   4.658  -2.143
   13    HG2  GLN   2           HG2      GLN   2  -4.651   1.860  -0.744
   14    HG3  GLN   2           HG3      GLN   2  -3.375   2.170  -1.956
   15   HE21  GLN   2          HE21      GLN   2  -4.166   5.120  -0.570
   16   HE22  GLN   2          HE22      GLN   2  -2.823   5.151   0.540
   17    H    SER   3           H        SER   3  -5.733   1.471  -2.402
   18    HA   SER   3           HA       SER   3  -8.411   0.564  -3.090
   19    HB2  SER   3           HB2      SER   3  -6.476   0.348  -5.407
   20    HB3  SER   3           HB3      SER   3  -8.258   0.727  -5.412
   21    H    HIS   4           H        HIS   4  -8.030  -1.572  -4.454
   22    HA   HIS   4           HA       HIS   4  -6.283  -3.223  -2.843
   23    HB2  HIS   4           HB2      HIS   4  -8.579  -3.959  -3.782
   24    HB3  HIS   4           HB3      HIS   4  -7.826  -3.991  -5.414
   25    HD1  HIS   4           HD1      HIS   4  -8.894  -6.590  -4.609
   26    HD2  HIS   4           HD2      HIS   4  -5.192  -5.417  -3.018
   27    HE1  HIS   4           HE1      HIS   4  -7.729  -8.686  -3.813
   28    HE2  HIS   4           HE2      HIS   4  -5.711  -7.833  -2.541
   29    H    TYR   5           H        TYR   5  -4.210  -3.732  -3.347
   30    HA   TYR   5           HA       TYR   5  -2.410  -4.096  -4.360
   31    HB2  TYR   5           HB2      TYR   5  -3.673  -3.551  -7.099
   32    HB3  TYR   5           HB3      TYR   5  -2.130  -4.397  -6.802
   33    HD1  TYR   5           HD1      TYR   5  -2.270  -6.542  -5.176
   34    HD2  TYR   5           HD2      TYR   5  -5.590  -4.804  -7.284
   35    HE1  TYR   5           HE1      TYR   5  -3.467  -8.700  -5.070
   36    HE2  TYR   5           HE2      TYR   5  -6.801  -6.966  -7.154
   37    HH   TYR   5           HH       TYR   5  -5.292  -9.897  -5.950
   38    H    GLY   6           H        GLY   6  -3.649  -1.316  -3.792
   39    HA2  GLY   6           HA2      GLY   6  -1.844   0.492  -5.123
   40    HA3  GLY   6           HA3      GLY   6  -2.784   0.779  -3.610
   41    H    GLN   7           H        GLN   7  -0.339   1.899  -3.677
   42    HA   GLN   7           HA       GLN   7   1.326   0.102  -2.043
   43    HB2  GLN   7           HB2      GLN   7   2.481   1.119  -3.906
   44    HB3  GLN   7           HB3      GLN   7   1.847   2.749  -3.504
   45    HG2  GLN   7           HG2      GLN   7   3.177   2.906  -1.471
   46    HG3  GLN   7           HG3      GLN   7   3.571   1.158  -1.503
   47   HE21  GLN   7          HE21      GLN   7   5.750   2.052  -1.258
   48   HE22  GLN   7          HE22      GLN   7   6.633   2.398  -2.748
   49    H    CYS   8           H        CYS   8   1.533   0.549   0.158
   50    HA   CYS   8           HA       CYS   8   0.255   3.082   1.122
   51    HB2  CYS   8           HB2      CYS   8  -1.187   1.746   2.205
   52    HB3  CYS   8           HB3      CYS   8  -0.229   0.300   1.796
   53    H    GLY   9           H        GLY   9   3.160   1.185   1.074
   54    HA2  GLY   9           HA2      GLY   9   4.389   3.053   3.027
   55    HA3  GLY   9           HA3      GLY   9   4.501   1.265   3.218
   56    H    GLY  10           H        GLY  10   5.897   4.071   1.701
   57    HA2  GLY  10           HA2      GLY  10   8.098   2.409   1.114
   58    HA3  GLY  10           HA3      GLY  10   7.260   2.906  -0.409
   59    H    ILE  11           H        ILE  11   9.668   3.851  -0.266
   60    HA   ILE  11           HA       ILE  11   9.655   6.342   1.188
   61    HB   ILE  11           HB       ILE  11  11.896   6.301   0.900
   62   HG12  ILE  11          HG12      ILE  11  12.136   6.710  -1.455
   63   HG13  ILE  11          HG13      ILE  11  13.177   5.354  -0.988
   64   HG21  ILE  11          HG21      ILE  11  11.370   3.349   0.205
   65   HG22  ILE  11          HG22      ILE  11  11.068   4.042   1.848
   66   HG23  ILE  11          HG23      ILE  11  12.716   4.031   1.157
   67   HD11  ILE  11          HD11      ILE  11  10.789   4.059  -1.945
   68   HD12  ILE  11          HD12      ILE  11  12.334   4.252  -2.842
   69   HD13  ILE  11          HD13      ILE  11  11.041   5.462  -3.044
   70    H    GLY  12           H        GLY  12   8.532   5.264  -1.726
   71    HA2  GLY  12           HA2      GLY  12   8.715   7.852  -3.169
   72    HA3  GLY  12           HA3      GLY  12   8.774   6.206  -3.933
   73    H    TYR  13           H        TYR  13   6.822   7.098  -1.198
   74    HA   TYR  13           HA       TYR  13   4.410   6.879  -2.852
   75    HB2  TYR  13           HB2      TYR  13   4.860   4.689  -1.806
   76    HB3  TYR  13           HB3      TYR  13   5.053   5.461  -0.182
   77    HD1  TYR  13           HD1      TYR  13   2.699   5.444  -3.111
   78    HD2  TYR  13           HD2      TYR  13   3.129   5.446   1.178
   79    HE1  TYR  13           HE1      TYR  13   0.238   5.594  -2.858
   80    HE2  TYR  13           HE2      TYR  13   0.660   5.542   1.411
   81    HH   TYR  13           HH       TYR  13  -1.191   4.628  -0.452
   82    H    SER  14           H        SER  14   3.350   8.733  -2.749
   83    HA   SER  14           HA       SER  14   3.194  10.153  -0.173
   84    HB2  SER  14           HB2      SER  14   2.890  12.266  -1.704
   85    HB3  SER  14           HB3      SER  14   4.523  11.573  -1.430
   86    HG   SER  14           HG       SER  14   2.979  11.585  -3.756
   87    H    GLY  15           H        GLY  15   1.352   8.544   0.088
   88    HA2  GLY  15           HA2      GLY  15  -1.042  10.046  -0.493
   89    HA3  GLY  15           HA3      GLY  15  -0.928   8.385  -1.221
   90    HA   PRO  16           HA       PRO  16  -2.829   8.282   3.062
   91    HB2  PRO  16           HB2      PRO  16  -4.509   6.116   1.873
   92    HB3  PRO  16           HB3      PRO  16  -5.034   7.650   2.658
   93    HG2  PRO  16           HG2      PRO  16  -4.676   7.002  -0.254
   94    HG3  PRO  16           HG3      PRO  16  -5.562   8.382   0.465
   95    HD2  PRO  16           HD2      PRO  16  -3.130   8.557  -0.891
   96    HD3  PRO  16           HD3      PRO  16  -3.614   9.743   0.405
   97    H    THR  17           H        THR  17  -1.881   7.059   4.699
   98    HA   THR  17           HA       THR  17  -0.193   4.910   3.820
   99    HB   THR  17           HB       THR  17  -0.631   6.018   6.629
  100    HG1  THR  17           HG1      THR  17   0.788   6.908   4.375
  101   HG21  THR  17          HG21      THR  17   2.007   5.383   6.532
  102   HG22  THR  17          HG22      THR  17   1.444   4.195   5.291
  103   HG23  THR  17          HG23      THR  17   0.771   4.159   6.954
  104    H    VAL  18           H        VAL  18  -2.870   4.120   3.488
  105    HA   VAL  18           HA       VAL  18  -3.002   1.828   5.264
  106    HB   VAL  18           HB       VAL  18  -5.456   3.659   5.133
  107   HG11  VAL  18          HG11      VAL  18  -4.857   1.458   7.224
  108   HG12  VAL  18          HG12      VAL  18  -5.587   0.984   5.654
  109   HG13  VAL  18          HG13      VAL  18  -6.447   2.121   6.727
  110   HG21  VAL  18          HG21      VAL  18  -5.062   4.138   7.590
  111   HG22  VAL  18          HG22      VAL  18  -3.874   4.925   6.487
  112   HG23  VAL  18          HG23      VAL  18  -3.415   3.448   7.408
  113    H    CYS  19           H        CYS  19  -4.204   0.159   4.223
  114    HA   CYS  19           HA       CYS  19  -4.532   0.594   1.359
  115    HB2  CYS  19           HB2      CYS  19  -4.421  -1.741   3.331
  116    HB3  CYS  19           HB3      CYS  19  -4.650  -2.036   1.599
  117    H    ALA  20           H        ALA  20  -6.540  -0.179   0.257
  118    HA   ALA  20           HA       ALA  20  -8.814   0.979   0.758
  119    HB1  ALA  20           HB1      ALA  20  -9.060  -1.879  -0.158
  120    HB2  ALA  20           HB2      ALA  20  -8.078  -0.743  -1.092
  121    HB3  ALA  20           HB3      ALA  20  -9.821  -0.382  -0.825
  122    H    SER  21           H        SER  21 -11.077   0.330   1.463
  123    HA   SER  21           HA       SER  21 -10.846  -0.571   4.159
  124    HB2  SER  21           HB2      SER  21 -12.853   0.744   2.457
  125    HB3  SER  21           HB3      SER  21 -13.645  -0.410   3.570
  126    HG   SER  21           HG       SER  21 -12.290   0.631   5.235
  127    H    GLY  22           H        GLY  22 -10.608  -2.412   1.698
  128    HA2  GLY  22           HA2      GLY  22 -11.542  -4.828   3.055
  129    HA3  GLY  22           HA3      GLY  22 -11.741  -4.610   1.273
  130    H    THR  23           H        THR  23  -8.854  -3.055   2.370
  131    HA   THR  23           HA       THR  23  -7.303  -5.434   1.760
  132    HB   THR  23           HB       THR  23  -5.725  -4.362   0.376
  133    HG1  THR  23           HG1      THR  23  -5.649  -2.374   0.557
  134   HG21  THR  23          HG21      THR  23  -8.135  -3.606  -1.248
  135   HG22  THR  23          HG22      THR  23  -8.192  -5.251  -0.481
  136   HG23  THR  23          HG23      THR  23  -6.807  -4.803  -1.510
  137    H    THR  24           H        THR  24  -5.302  -5.597   2.679
  138    HA   THR  24           HA       THR  24  -4.815  -3.706   4.920
  139    HB   THR  24           HB       THR  24  -3.467  -6.422   4.863
  140    HG1  THR  24           HG1      THR  24  -5.463  -7.065   5.996
  141   HG21  THR  24          HG21      THR  24  -4.899  -4.666   7.001
  142   HG22  THR  24          HG22      THR  24  -3.106  -4.777   6.799
  143   HG23  THR  24          HG23      THR  24  -4.035  -6.211   7.333
  144    H    CYS  25           H        CYS  25  -2.466  -3.374   5.589
  145    HA   CYS  25           HA       CYS  25  -0.872  -2.965   3.150
  146    HB2  CYS  25           HB2      CYS  25  -1.484  -1.014   4.678
  147    HB3  CYS  25           HB3      CYS  25  -0.469  -1.746   5.944
  148    H    GLN  26           H        GLN  26   0.487  -4.552   2.690
  149    HA   GLN  26           HA       GLN  26   1.918  -5.800   4.978
  150    HB2  GLN  26           HB2      GLN  26   1.337  -7.178   2.336
  151    HB3  GLN  26           HB3      GLN  26   2.029  -7.895   3.807
  152    HG2  GLN  26           HG2      GLN  26  -0.099  -7.647   5.053
  153    HG3  GLN  26           HG3      GLN  26  -0.857  -6.741   3.703
  154   HE21  GLN  26          HE21      GLN  26  -2.374  -8.039   2.735
  155   HE22  GLN  26          HE22      GLN  26  -2.143  -9.721   2.381
  156    H    VAL  27           H        VAL  27   3.933  -5.247   5.041
  157    HA   VAL  27           HA       VAL  27   5.189  -3.751   3.050
  158    HB   VAL  27           HB       VAL  27   6.382  -5.217   5.429
  159   HG11  VAL  27          HG11      VAL  27   8.214  -4.671   3.910
  160   HG12  VAL  27          HG12      VAL  27   8.202  -3.405   5.178
  161   HG13  VAL  27          HG13      VAL  27   7.553  -3.038   3.545
  162   HG21  VAL  27          HG21      VAL  27   4.617  -3.599   6.135
  163   HG22  VAL  27          HG22      VAL  27   5.323  -2.313   5.103
  164   HG23  VAL  27          HG23      VAL  27   6.237  -2.936   6.514
  165    H    LEU  28           H        LEU  28   6.727  -4.169   1.483
  166    HA   LEU  28           HA       LEU  28   6.958  -7.013   0.764
  167    HB2  LEU  28           HB2      LEU  28   6.440  -4.494  -0.688
  168    HB3  LEU  28           HB3      LEU  28   7.968  -5.167  -1.298
  169    HG   LEU  28           HG       LEU  28   6.430  -5.978  -2.752
  170   HD11  LEU  28          HD11      LEU  28   7.976  -7.742  -1.450
  171   HD12  LEU  28          HD12      LEU  28   6.771  -8.300  -2.669
  172   HD13  LEU  28          HD13      LEU  28   6.396  -8.406  -0.908
  173   HD21  LEU  28          HD21      LEU  28   4.486  -5.394  -1.010
  174   HD22  LEU  28          HD22      LEU  28   4.533  -7.151  -0.664
  175   HD23  LEU  28          HD23      LEU  28   4.202  -6.578  -2.345
  176    H    ASN  29           H        ASN  29   8.848  -4.017   0.444
  177    HA   ASN  29           HA       ASN  29  11.249  -5.482   1.322
  178    HB2  ASN  29           HB2      ASN  29  11.735  -3.416  -0.846
  179    HB3  ASN  29           HB3      ASN  29  12.499  -5.020  -0.571
  180   HD21  ASN  29          HD21      ASN  29  11.227  -3.512  -3.008
  181   HD22  ASN  29          HD22      ASN  29  10.199  -4.753  -3.685
  182    HA   PRO  30           HA       PRO  30  11.729  -1.776   3.659
  183    HB2  PRO  30           HB2      PRO  30  14.590  -1.195   2.842
  184    HB3  PRO  30           HB3      PRO  30  13.976  -1.762   4.434
  185    HG2  PRO  30           HG2      PRO  30  15.448  -3.384   2.685
  186    HG3  PRO  30           HG3      PRO  30  14.213  -4.031   3.842
  187    HD2  PRO  30           HD2      PRO  30  13.899  -3.466   0.853
  188    HD3  PRO  30           HD3      PRO  30  13.290  -4.869   1.849
  189    H    TYR  31           H        TYR  31  11.474  -1.527   0.529
  190    HA   TYR  31           HA       TYR  31  11.513   1.390   0.479
  191    HB2  TYR  31           HB2      TYR  31  12.829  -0.527  -1.540
  192    HB3  TYR  31           HB3      TYR  31  12.256   1.091  -2.083
  193    HD1  TYR  31           HD1      TYR  31  13.174   3.088  -1.231
  194    HD2  TYR  31           HD2      TYR  31  14.838  -0.648   0.002
  195    HE1  TYR  31           HE1      TYR  31  15.136   4.294  -0.307
  196    HE2  TYR  31           HE2      TYR  31  16.833   0.548   0.890
  197    HH   TYR  31           HH       TYR  31  17.881   3.224   0.152
  198    H    TYR  32           H        TYR  32   9.517  -1.263   0.394
  199    HA   TYR  32           HA       TYR  32   7.515   0.127  -1.084
  200    HB2  TYR  32           HB2      TYR  32   8.813  -0.811  -3.029
  201    HB3  TYR  32           HB3      TYR  32   8.717  -2.450  -2.293
  202    HD1  TYR  32           HD2      TYR  32   6.660   0.360  -3.649
  203    HD2  TYR  32           HD1      TYR  32   6.873  -3.825  -2.840
  204    HE1  TYR  32           HE2      TYR  32   4.433   0.052  -4.706
  205    HE2  TYR  32           HE1      TYR  32   4.688  -4.167  -3.932
  206    HH   TYR  32           HH       TYR  32   3.132  -3.117  -5.363
  207    H    SER  33           H        SER  33   5.434  -0.573  -0.545
  208    HA   SER  33           HA       SER  33   5.017  -3.141   0.767
  209    HB2  SER  33           HB2      SER  33   3.977  -0.517   2.005
  210    HB3  SER  33           HB3      SER  33   3.760  -2.148   2.679
  211    HG   SER  33           HG       SER  33   6.078  -2.123   3.052
  212    H    GLN  34           H        GLN  34   3.007  -3.951   0.269
  213    HA   GLN  34           HA       GLN  34   1.499  -2.317  -1.652
  214    HB2  GLN  34           HB2      GLN  34   2.598  -4.921  -1.757
  215    HB3  GLN  34           HB3      GLN  34   0.887  -5.236  -1.606
  216    HG2  GLN  34           HG2      GLN  34   1.242  -3.074  -3.588
  217    HG3  GLN  34           HG3      GLN  34   2.545  -4.294  -3.856
  218   HE21  GLN  34          HE21      GLN  34   0.037  -3.494  -5.442
  219   HE22  GLN  34          HE22      GLN  34  -0.627  -5.067  -5.799
  220    H    CYS  35           H        CYS  35  -0.809  -3.038  -1.898
  221    HA   CYS  35           HA       CYS  35  -2.141  -3.334   0.711
  222    HB2  CYS  35           HB2      CYS  35  -2.855  -1.746  -1.830
  223    HB3  CYS  35           HB3      CYS  35  -4.062  -2.016  -0.551
  224    H    LEU  36           H        LEU  36  -3.363  -5.190   0.976
  225    HA   LEU  36           HA       LEU  36  -4.299  -6.464  -1.517
  226    HB2  LEU  36           HB2      LEU  36  -3.340  -8.105   0.848
  227    HB3  LEU  36           HB3      LEU  36  -3.556  -8.563  -0.861
  228    HG   LEU  36           HG       LEU  36  -1.239  -8.576  -0.311
  229   HD11  LEU  36          HD11      LEU  36  -0.685  -7.730  -2.353
  230   HD12  LEU  36          HD12      LEU  36  -1.014  -6.040  -1.832
  231   HD13  LEU  36          HD13      LEU  36  -2.347  -7.045  -2.450
  232   HD21  LEU  36          HD21      LEU  36  -1.692  -6.568   1.531
  233   HD22  LEU  36          HD22      LEU  36  -0.833  -5.648   0.277
  234   HD23  LEU  36          HD23      LEU  36  -0.069  -7.113   0.960
  235    H1   MAN 101           H1       MAN  37 -10.019   2.063   2.167
  236    H2   MAN 101           H2       MAN  37  -8.850   2.970   0.161
  237    H3   MAN 101           H3       MAN  37  -9.306   5.329   0.874
  238    H4   MAN 101           H4       MAN  37 -12.042   4.854  -0.308
  239    H5   MAN 101           H5       MAN  37 -11.118   5.472   2.562
  240    H61  MAN 101           H61      MAN  37 -13.815   4.500   1.468
  241    H62  MAN 101           H62      MAN  37 -13.422   6.205   1.889
  242    HO2  MAN 101           HO2      MAN  37 -11.644   2.827  -0.357
  243    HO3  MAN 101           HO3      MAN  37  -9.883   4.834  -1.860
  244    HO4  MAN 101           HO4      MAN  37 -10.577   7.140   0.384
  245    HO6  MAN 101           HO6      MAN  37 -13.021   4.074   3.765
  246    H1   MAN 102           H1       MAN  38  -7.998   2.566  -6.935
  247    H2   MAN 102           H2       MAN  38  -6.223   0.858  -7.366
  248    H3   MAN 102           H3       MAN  38  -4.661   1.773  -5.649
  249    H4   MAN 102           H4       MAN  38  -4.114   3.909  -7.766
  250    H5   MAN 102           H5       MAN  38  -5.365   4.153  -4.978
  251    H61  MAN 102           H61      MAN  38  -5.135   6.200  -7.244
  252    H62  MAN 102           H62      MAN  38  -4.136   6.170  -5.746
  253    HO2  MAN 102           HO2      MAN  38  -6.071   3.310  -8.770
  254    HO3  MAN 102           HO3      MAN  38  -2.875   1.114  -6.743
  255    HO4  MAN 102           HO4      MAN  38  -2.273   3.767  -6.691
  256    HO6  MAN 102           HO6      MAN  38  -6.997   6.363  -5.841
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -8.364   6.316   2.958
    2    H2   THR   1           H2       THR   1  -9.353   6.188   1.610
    3    H3   THR   1           H3       THR   1  -7.927   7.104   1.486
    4    HA   THR   1           HA       THR   1  -6.691   4.987   1.862
    5    HB   THR   1           HB       THR   1  -8.311   2.852   1.481
    6   HG21  THR   1          HG21      THR   1  -7.557   2.673   3.634
    7   HG22  THR   1          HG22      THR   1  -9.126   3.340   4.097
    8   HG23  THR   1          HG23      THR   1  -7.659   4.398   3.974
    9    H    GLN   2           H        GLN   2  -6.668   3.061  -0.125
   10    HA   GLN   2           HA       GLN   2  -7.597   4.394  -2.590
   11    HB2  GLN   2           HB2      GLN   2  -5.473   3.654  -3.701
   12    HB3  GLN   2           HB3      GLN   2  -5.257   4.855  -2.441
   13    HG2  GLN   2           HG2      GLN   2  -5.026   2.278  -1.070
   14    HG3  GLN   2           HG3      GLN   2  -4.136   2.069  -2.603
   15   HE21  GLN   2          HE21      GLN   2  -4.248   3.839   0.474
   16   HE22  GLN   2          HE22      GLN   2  -2.772   4.683   0.213
   17    H    SER   3           H        SER   3  -5.804   1.711  -3.378
   18    HA   SER   3           HA       SER   3  -8.268   0.113  -3.680
   19    HB2  SER   3           HB2      SER   3  -6.104  -0.315  -5.708
   20    HB3  SER   3           HB3      SER   3  -7.883   0.021  -5.949
   21    H    HIS   4           H        HIS   4  -7.565  -2.141  -4.598
   22    HA   HIS   4           HA       HIS   4  -5.902  -3.440  -2.611
   23    HB2  HIS   4           HB2      HIS   4  -8.064  -4.411  -3.739
   24    HB3  HIS   4           HB3      HIS   4  -7.083  -4.596  -5.233
   25    HD1  HIS   4           HD1      HIS   4  -8.075  -7.164  -4.441
   26    HD2  HIS   4           HD2      HIS   4  -4.945  -5.581  -2.170
   27    HE1  HIS   4           HE1      HIS   4  -6.912  -9.113  -3.319
   28    HE2  HIS   4           HE2      HIS   4  -5.406  -7.905  -1.652
   29    H    TYR   5           H        TYR   5  -3.765  -4.192  -2.942
   30    HA   TYR   5           HA       TYR   5  -1.838  -4.461  -3.769
   31    HB2  TYR   5           HB2      TYR   5  -2.947  -4.252  -6.612
   32    HB3  TYR   5           HB3      TYR   5  -1.359  -4.934  -6.124
   33    HD1  TYR   5           HD1      TYR   5  -1.318  -7.033  -4.631
   34    HD2  TYR   5           HD2      TYR   5  -4.884  -5.579  -6.525
   35    HE1  TYR   5           HE1      TYR   5  -2.363  -9.234  -4.314
   36    HE2  TYR   5           HE2      TYR   5  -5.928  -7.817  -6.243
   37    HH   TYR   5           HH       TYR   5  -4.196 -10.521  -4.738
   38    H    GLY   6           H        GLY   6  -3.285  -1.719  -3.600
   39    HA2  GLY   6           HA2      GLY   6  -1.588   0.084  -5.039
   40    HA3  GLY   6           HA3      GLY   6  -2.688   0.449  -3.646
   41    H    GLN   7           H        GLN   7  -0.488   1.875  -3.483
   42    HA   GLN   7           HA       GLN   7   1.489   0.273  -2.017
   43    HB2  GLN   7           HB2      GLN   7   2.225   1.701  -3.836
   44    HB3  GLN   7           HB3      GLN   7   1.501   3.137  -3.065
   45    HG2  GLN   7           HG2      GLN   7   3.117   2.983  -1.157
   46    HG3  GLN   7           HG3      GLN   7   3.702   1.388  -1.755
   47   HE21  GLN   7          HE21      GLN   7   5.837   2.243  -1.949
   48   HE22  GLN   7          HE22      GLN   7   6.247   3.369  -3.246
   49    H    CYS   8           H        CYS   8   2.026   0.755   0.158
   50    HA   CYS   8           HA       CYS   8   0.372   2.874   1.468
   51    HB2  CYS   8           HB2      CYS   8  -0.007   1.444   3.419
   52    HB3  CYS   8           HB3      CYS   8  -0.718   0.781   1.952
   53    H    GLY   9           H        GLY   9   3.473   1.430   1.084
   54    HA2  GLY   9           HA2      GLY   9   4.641   3.318   2.976
   55    HA3  GLY   9           HA3      GLY   9   4.650   1.585   3.478
   56    H    GLY  10           H        GLY  10   5.646   3.743   0.761
   57    HA2  GLY  10           HA2      GLY  10   8.179   2.220   0.760
   58    HA3  GLY  10           HA3      GLY  10   7.334   2.573  -0.796
   59    H    ILE  11           H        ILE  11   9.918   3.635   0.095
   60    HA   ILE  11           HA       ILE  11   9.808   6.224   0.968
   61    HB   ILE  11           HB       ILE  11  11.500   4.720  -1.035
   62   HG12  ILE  11          HG12      ILE  11  11.517   4.371   1.587
   63   HG13  ILE  11          HG13      ILE  11  13.063   4.505   0.715
   64   HG21  ILE  11          HG21      ILE  11  11.825   7.698  -0.301
   65   HG22  ILE  11          HG22      ILE  11  11.718   6.965  -1.941
   66   HG23  ILE  11          HG23      ILE  11  13.173   6.683  -0.934
   67   HD11  ILE  11          HD11      ILE  11  12.974   5.840   2.878
   68   HD12  ILE  11          HD12      ILE  11  11.762   6.928   2.101
   69   HD13  ILE  11          HD13      ILE  11  13.430   6.796   1.431
   70    H    GLY  12           H        GLY  12   9.051   5.121  -2.317
   71    HA2  GLY  12           HA2      GLY  12   8.382   7.870  -3.166
   72    HA3  GLY  12           HA3      GLY  12   8.347   6.360  -4.148
   73    H    TYR  13           H        TYR  13   6.751   7.548  -1.116
   74    HA   TYR  13           HA       TYR  13   4.202   7.038  -2.463
   75    HB2  TYR  13           HB2      TYR  13   4.946   4.941  -1.139
   76    HB3  TYR  13           HB3      TYR  13   4.947   5.963   0.345
   77    HD1  TYR  13           HD1      TYR  13   2.696   5.550  -2.663
   78    HD2  TYR  13           HD2      TYR  13   3.068   5.557   1.641
   79    HE1  TYR  13           HE1      TYR  13   0.258   5.215  -2.445
   80    HE2  TYR  13           HE2      TYR  13   0.602   5.271   1.825
   81    HH   TYR  13           HH       TYR  13  -1.210   4.318  -0.816
   82    H    SER  14           H        SER  14   2.738   8.599  -2.091
   83    HA   SER  14           HA       SER  14   2.952  10.204   0.398
   84    HB2  SER  14           HB2      SER  14   2.578  11.274  -2.470
   85    HB3  SER  14           HB3      SER  14   2.323  12.267  -0.985
   86    HG   SER  14           HG       SER  14   4.772  10.927  -1.525
   87    H    GLY  15           H        GLY  15   1.059   8.047  -1.132
   88    HA2  GLY  15           HA2      GLY  15  -1.457   9.508  -1.015
   89    HA3  GLY  15           HA3      GLY  15  -1.178   7.776  -1.431
   90    HA   PRO  16           HA       PRO  16  -3.126   8.232   2.820
   91    HB2  PRO  16           HB2      PRO  16  -4.846   5.956   1.959
   92    HB3  PRO  16           HB3      PRO  16  -5.350   7.628   2.433
   93    HG2  PRO  16           HG2      PRO  16  -4.820   6.407  -0.301
   94    HG3  PRO  16           HG3      PRO  16  -5.874   7.814   0.082
   95    HD2  PRO  16           HD2      PRO  16  -3.429   8.014  -1.164
   96    HD3  PRO  16           HD3      PRO  16  -3.996   9.313  -0.016
   97    H    THR  17           H        THR  17  -2.310   7.070   4.645
   98    HA   THR  17           HA       THR  17  -0.615   4.862   3.967
   99    HB   THR  17           HB       THR  17  -1.323   5.907   6.753
  100    HG1  THR  17           HG1      THR  17   0.427   6.866   4.751
  101   HG21  THR  17          HG21      THR  17   0.095   3.954   6.964
  102   HG22  THR  17          HG22      THR  17   1.234   5.330   7.012
  103   HG23  THR  17          HG23      THR  17   1.050   4.362   5.497
  104    H    VAL  18           H        VAL  18  -3.610   4.591   3.839
  105    HA   VAL  18           HA       VAL  18  -3.866   1.988   5.145
  106    HB   VAL  18           HB       VAL  18  -5.977   4.213   5.338
  107   HG11  VAL  18          HG11      VAL  18  -7.479   2.621   6.176
  108   HG12  VAL  18          HG12      VAL  18  -6.195   1.696   7.013
  109   HG13  VAL  18          HG13      VAL  18  -6.490   1.429   5.268
  110   HG21  VAL  18          HG21      VAL  18  -5.570   4.007   7.850
  111   HG22  VAL  18          HG22      VAL  18  -4.163   4.679   6.956
  112   HG23  VAL  18          HG23      VAL  18  -4.151   2.961   7.485
  113    H    CYS  19           H        CYS  19  -4.814   0.595   3.615
  114    HA   CYS  19           HA       CYS  19  -5.537   1.830   1.035
  115    HB2  CYS  19           HB2      CYS  19  -4.355  -0.812   1.879
  116    HB3  CYS  19           HB3      CYS  19  -5.224  -0.686   0.312
  117    H    ALA  20           H        ALA  20  -7.242   0.360  -0.160
  118    HA   ALA  20           HA       ALA  20  -9.651   0.895   0.377
  119    HB1  ALA  20           HB1      ALA  20  -9.402  -1.998  -0.272
  120    HB2  ALA  20           HB2      ALA  20  -8.549  -0.834  -1.327
  121    HB3  ALA  20           HB3      ALA  20 -10.332  -0.695  -1.095
  122    H    SER  21           H        SER  21 -11.581   0.405   1.658
  123    HA   SER  21           HA       SER  21 -11.117  -0.480   4.229
  124    HB2  SER  21           HB2      SER  21 -13.686  -0.140   2.628
  125    HB3  SER  21           HB3      SER  21 -13.686  -0.494   4.402
  126    HG   SER  21           HG       SER  21 -13.711   1.784   3.952
  127    H    GLY  22           H        GLY  22 -10.870  -2.532   1.863
  128    HA2  GLY  22           HA2      GLY  22 -11.498  -4.898   3.483
  129    HA3  GLY  22           HA3      GLY  22 -11.840  -4.846   1.711
  130    H    THR  23           H        THR  23  -9.032  -3.056   2.434
  131    HA   THR  23           HA       THR  23  -7.312  -5.350   1.790
  132    HB   THR  23           HB       THR  23  -5.809  -3.933   0.430
  133    HG1  THR  23           HG1      THR  23  -7.374  -2.057   1.448
  134   HG21  THR  23          HG21      THR  23  -8.681  -4.438  -0.428
  135   HG22  THR  23          HG22      THR  23  -7.131  -4.929  -1.179
  136   HG23  THR  23          HG23      THR  23  -7.744  -3.261  -1.414
  137    H    THR  24           H        THR  24  -5.495  -5.471   2.910
  138    HA   THR  24           HA       THR  24  -5.005  -3.541   5.091
  139    HB   THR  24           HB       THR  24  -5.198  -5.967   5.529
  140    HG1  THR  24           HG1      THR  24  -2.891  -6.077   6.447
  141   HG21  THR  24          HG21      THR  24  -3.753  -7.568   4.612
  142   HG22  THR  24          HG22      THR  24  -2.386  -6.392   4.381
  143   HG23  THR  24          HG23      THR  24  -3.756  -6.402   3.260
  144    H    CYS  25           H        CYS  25  -2.336  -3.732   5.552
  145    HA   CYS  25           HA       CYS  25  -0.901  -2.915   3.100
  146    HB2  CYS  25           HB2      CYS  25  -1.447  -0.809   4.123
  147    HB3  CYS  25           HB3      CYS  25  -1.132  -1.427   5.769
  148    H    GLN  26           H        GLN  26   0.811  -4.282   2.837
  149    HA   GLN  26           HA       GLN  26   2.215  -5.151   5.280
  150    HB2  GLN  26           HB2      GLN  26   1.725  -7.003   2.907
  151    HB3  GLN  26           HB3      GLN  26   2.646  -7.394   4.380
  152    HG2  GLN  26           HG2      GLN  26   0.645  -7.302   5.807
  153    HG3  GLN  26           HG3      GLN  26  -0.345  -6.653   4.463
  154   HE21  GLN  26          HE21      GLN  26  -1.763  -8.228   3.793
  155   HE22  GLN  26          HE22      GLN  26  -1.345  -9.914   3.610
  156    H    VAL  27           H        VAL  27   4.399  -5.123   5.160
  157    HA   VAL  27           HA       VAL  27   5.490  -3.597   3.080
  158    HB   VAL  27           HB       VAL  27   6.834  -4.995   5.396
  159   HG11  VAL  27          HG11      VAL  27   7.955  -2.938   3.361
  160   HG12  VAL  27          HG12      VAL  27   8.560  -4.607   3.671
  161   HG13  VAL  27          HG13      VAL  27   8.737  -3.339   4.927
  162   HG21  VAL  27          HG21      VAL  27   5.154  -2.580   5.197
  163   HG22  VAL  27          HG22      VAL  27   6.831  -2.077   5.540
  164   HG23  VAL  27          HG23      VAL  27   6.009  -3.241   6.640
  165    H    LEU  28           H        LEU  28   6.934  -3.930   1.474
  166    HA   LEU  28           HA       LEU  28   7.107  -6.748   0.614
  167    HB2  LEU  28           HB2      LEU  28   6.397  -4.297  -0.761
  168    HB3  LEU  28           HB3      LEU  28   8.001  -4.716  -1.395
  169    HG   LEU  28           HG       LEU  28   6.642  -5.721  -2.907
  170   HD11  LEU  28          HD11      LEU  28   6.712  -8.154  -1.079
  171   HD12  LEU  28          HD12      LEU  28   8.266  -7.389  -1.564
  172   HD13  LEU  28          HD13      LEU  28   7.137  -8.010  -2.823
  173   HD21  LEU  28          HD21      LEU  28   4.522  -5.242  -1.570
  174   HD22  LEU  28          HD22      LEU  28   4.784  -6.792  -0.694
  175   HD23  LEU  28          HD23      LEU  28   4.508  -6.802  -2.476
  176    H    ASN  29           H        ASN  29   9.008  -3.755   0.299
  177    HA   ASN  29           HA       ASN  29  11.451  -5.240   1.013
  178    HB2  ASN  29           HB2      ASN  29  11.705  -3.159  -1.223
  179    HB3  ASN  29           HB3      ASN  29  12.645  -4.663  -0.930
  180   HD21  ASN  29          HD21      ASN  29  10.482  -3.264  -3.059
  181   HD22  ASN  29          HD22      ASN  29   9.829  -4.751  -3.715
  182    HA   PRO  30           HA       PRO  30  12.053  -1.536   3.328
  183    HB2  PRO  30           HB2      PRO  30  14.870  -0.932   2.406
  184    HB3  PRO  30           HB3      PRO  30  14.326  -1.551   4.004
  185    HG2  PRO  30           HG2      PRO  30  15.729  -3.103   2.127
  186    HG3  PRO  30           HG3      PRO  30  14.589  -3.792   3.354
  187    HD2  PRO  30           HD2      PRO  30  14.078  -3.205   0.401
  188    HD3  PRO  30           HD3      PRO  30  13.534  -4.614   1.425
  189    H    TYR  31           H        TYR  31  11.633  -1.258   0.231
  190    HA   TYR  31           HA       TYR  31  11.673   1.677   0.156
  191    HB2  TYR  31           HB2      TYR  31  12.873  -0.269  -1.915
  192    HB3  TYR  31           HB3      TYR  31  12.327   1.374  -2.416
  193    HD1  TYR  31           HD1      TYR  31  13.263   3.375  -1.380
  194    HD2  TYR  31           HD2      TYR  31  14.963  -0.493  -0.618
  195    HE1  TYR  31           HE1      TYR  31  15.306   4.453  -0.482
  196    HE2  TYR  31           HE2      TYR  31  17.018   0.595   0.258
  197    HH   TYR  31           HH       TYR  31  17.925   3.581  -0.311
  198    H    TYR  32           H        TYR  32   9.699  -1.039   0.113
  199    HA   TYR  32           HA       TYR  32   7.627   0.411  -1.189
  200    HB2  TYR  32           HB2      TYR  32   8.685  -0.452  -3.274
  201    HB3  TYR  32           HB3      TYR  32   8.721  -2.109  -2.572
  202    HD1  TYR  32           HD2      TYR  32   6.393   0.658  -3.475
  203    HD2  TYR  32           HD1      TYR  32   6.905  -3.555  -3.042
  204    HE1  TYR  32           HE2      TYR  32   4.028   0.304  -4.192
  205    HE2  TYR  32           HE1      TYR  32   4.582  -3.934  -3.820
  206    HH   TYR  32           HH       TYR  32   2.822  -2.663  -5.173
  207    H    SER  33           H        SER  33   5.560  -0.283  -0.550
  208    HA   SER  33           HA       SER  33   5.242  -2.904   0.655
  209    HB2  SER  33           HB2      SER  33   4.346  -0.348   2.132
  210    HB3  SER  33           HB3      SER  33   3.983  -2.023   2.640
  211    HG   SER  33           HG       SER  33   6.087  -0.535   3.261
  212    H    GLN  34           H        GLN  34   3.092  -3.641   0.367
  213    HA   GLN  34           HA       GLN  34   1.447  -1.798  -1.248
  214    HB2  GLN  34           HB2      GLN  34   1.060  -3.349  -2.895
  215    HB3  GLN  34           HB3      GLN  34   2.768  -3.695  -2.498
  216    HG2  GLN  34           HG2      GLN  34   2.083  -5.670  -1.079
  217    HG3  GLN  34           HG3      GLN  34   0.364  -5.385  -1.479
  218   HE21  GLN  34          HE21      GLN  34   0.343  -4.812  -4.161
  219   HE22  GLN  34          HE22      GLN  34   0.894  -6.252  -5.002
  220    H    CYS  35           H        CYS  35  -0.755  -2.805  -1.587
  221    HA   CYS  35           HA       CYS  35  -1.779  -3.602   1.040
  222    HB2  CYS  35           HB2      CYS  35  -3.154  -2.110  -1.281
  223    HB3  CYS  35           HB3      CYS  35  -3.819  -2.410   0.365
  224    H    LEU  36           H        LEU  36  -3.413  -5.098   1.421
  225    HA   LEU  36           HA       LEU  36  -3.922  -6.863  -0.881
  226    HB2  LEU  36           HB2      LEU  36  -3.331  -7.966   1.884
  227    HB3  LEU  36           HB3      LEU  36  -3.543  -8.824   0.342
  228    HG   LEU  36           HG       LEU  36  -1.257  -8.890   0.968
  229   HD11  LEU  36          HD11      LEU  36  -1.968  -8.344  -1.528
  230   HD12  LEU  36          HD12      LEU  36  -0.218  -8.263  -1.070
  231   HD13  LEU  36          HD13      LEU  36  -1.187  -6.763  -1.230
  232   HD21  LEU  36          HD21      LEU  36  -1.538  -6.474   2.251
  233   HD22  LEU  36          HD22      LEU  36  -0.628  -5.937   0.806
  234   HD23  LEU  36          HD23      LEU  36   0.042  -7.230   1.841
  235    H1   MAN 101           H1       MAN  37 -10.429   2.125   1.832
  236    H2   MAN 101           H2       MAN  37  -9.506   2.866  -0.356
  237    H3   MAN 101           H3       MAN  37 -10.195   5.214  -0.050
  238    H4   MAN 101           H4       MAN  37 -12.948   4.271  -0.876
  239    H5   MAN 101           H5       MAN  37 -11.981   5.337   1.848
  240    H61  MAN 101           H61      MAN  37 -14.581   3.980   0.966
  241    H62  MAN 101           H62      MAN  37 -14.351   5.743   1.297
  242    HO2  MAN 101           HO2      MAN  37 -12.296   2.295  -0.656
  243    HO3  MAN 101           HO3      MAN  37 -10.057   5.545  -2.113
  244    HO4  MAN 101           HO4      MAN  37 -12.553   6.365  -1.497
  245    HO6  MAN 101           HO6      MAN  37 -15.182   4.590   3.161
  246    H1   MAN 102           H1       MAN  38  -7.491   1.729  -7.655
  247    H2   MAN 102           H2       MAN  38  -5.707  -0.037  -7.717
  248    H3   MAN 102           H3       MAN  38  -4.294   1.116  -5.993
  249    H4   MAN 102           H4       MAN  38  -3.585   2.929  -8.352
  250    H5   MAN 102           H5       MAN  38  -4.941   3.474  -5.665
  251    H61  MAN 102           H61      MAN  38  -4.687   5.302  -8.108
  252    H62  MAN 102           H62      MAN  38  -3.686   5.426  -6.613
  253    HO2  MAN 102           HO2      MAN  38  -5.932   0.724  -9.723
  254    HO3  MAN 102           HO3      MAN  38  -2.325   0.529  -6.973
  255    HO4  MAN 102           HO4      MAN  38  -1.888   3.395  -7.184
  256    HO6  MAN 102           HO6      MAN  38  -6.541   5.476  -6.651
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -8.343   5.706   3.556
    2    H2   THR   1           H2       THR   1  -7.365   6.694   2.561
    3    H3   THR   1           H3       THR   1  -6.760   6.110   4.067
    4    HA   THR   1           HA       THR   1  -5.925   4.456   2.836
    5    HB   THR   1           HB       THR   1  -7.830   2.682   2.119
    6   HG21  THR   1          HG21      THR   1  -8.537   2.165   4.411
    7   HG22  THR   1          HG22      THR   1  -7.855   3.718   5.030
    8   HG23  THR   1          HG23      THR   1  -6.795   2.477   4.286
    9    H    GLN   2           H        GLN   2  -6.296   3.027   0.534
   10    HA   GLN   2           HA       GLN   2  -7.155   4.920  -1.571
   11    HB2  GLN   2           HB2      GLN   2  -5.182   3.855  -2.893
   12    HB3  GLN   2           HB3      GLN   2  -4.852   4.989  -1.579
   13    HG2  GLN   2           HG2      GLN   2  -4.471   2.841  -0.030
   14    HG3  GLN   2           HG3      GLN   2  -4.423   1.893  -1.540
   15   HE21  GLN   2          HE21      GLN   2  -3.105   4.325  -3.001
   16   HE22  GLN   2          HE22      GLN   2  -1.535   4.356  -2.272
   17    H    SER   3           H        SER   3  -5.834   1.814  -2.406
   18    HA   SER   3           HA       SER   3  -8.537   0.802  -3.035
   19    HB2  SER   3           HB2      SER   3  -6.508   0.581  -5.251
   20    HB3  SER   3           HB3      SER   3  -8.309   0.874  -5.353
   21    H    HIS   4           H        HIS   4  -8.001  -1.315  -4.521
   22    HA   HIS   4           HA       HIS   4  -6.430  -3.015  -2.732
   23    HB2  HIS   4           HB2      HIS   4  -8.757  -3.615  -3.700
   24    HB3  HIS   4           HB3      HIS   4  -7.971  -3.787  -5.306
   25    HD1  HIS   4           HD1      HIS   4  -9.369  -6.181  -4.072
   26    HD2  HIS   4           HD2      HIS   4  -5.395  -5.326  -3.010
   27    HE1  HIS   4           HE1      HIS   4  -8.382  -8.290  -3.113
   28    HE2  HIS   4           HE2      HIS   4  -6.248  -7.484  -2.059
   29    H    TYR   5           H        TYR   5  -4.374  -3.628  -3.220
   30    HA   TYR   5           HA       TYR   5  -2.589  -4.131  -4.186
   31    HB2  TYR   5           HB2      TYR   5  -3.839  -3.695  -6.949
   32    HB3  TYR   5           HB3      TYR   5  -2.321  -4.582  -6.588
   33    HD1  TYR   5           HD1      TYR   5  -2.497  -6.601  -4.897
   34    HD2  TYR   5           HD2      TYR   5  -5.841  -4.873  -6.967
   35    HE1  TYR   5           HE1      TYR   5  -3.787  -8.678  -4.538
   36    HE2  TYR   5           HE2      TYR   5  -7.136  -6.966  -6.612
   37    HH   TYR   5           HH       TYR   5  -5.816  -9.670  -4.719
   38    H    GLY   6           H        GLY   6  -3.657  -1.257  -3.802
   39    HA2  GLY   6           HA2      GLY   6  -1.784   0.356  -5.279
   40    HA3  GLY   6           HA3      GLY   6  -2.722   0.828  -3.809
   41    H    GLN   7           H        GLN   7  -0.253   1.846  -3.924
   42    HA   GLN   7           HA       GLN   7   1.485   0.037  -2.381
   43    HB2  GLN   7           HB2      GLN   7   2.468   1.372  -4.250
   44    HB3  GLN   7           HB3      GLN   7   1.819   2.876  -3.538
   45    HG2  GLN   7           HG2      GLN   7   3.277   2.646  -1.523
   46    HG3  GLN   7           HG3      GLN   7   3.842   1.027  -2.097
   47   HE21  GLN   7          HE21      GLN   7   5.966   2.214  -1.851
   48   HE22  GLN   7          HE22      GLN   7   6.516   3.159  -3.237
   49    H    CYS   8           H        CYS   8   1.487   0.270  -0.100
   50    HA   CYS   8           HA       CYS   8   0.158   2.746   0.943
   51    HB2  CYS   8           HB2      CYS   8  -1.153   1.295   1.976
   52    HB3  CYS   8           HB3      CYS   8  -0.087  -0.105   1.634
   53    H    GLY   9           H        GLY   9   3.256   1.210   0.695
   54    HA2  GLY   9           HA2      GLY   9   4.361   3.209   2.548
   55    HA3  GLY   9           HA3      GLY   9   4.276   1.516   3.161
   56    H    GLY  10           H        GLY  10   5.791   3.691   0.803
   57    HA2  GLY  10           HA2      GLY  10   8.096   1.902   0.929
   58    HA3  GLY  10           HA3      GLY  10   7.446   2.326  -0.708
   59    H    ILE  11           H        ILE  11  10.019   3.132   0.254
   60    HA   ILE  11           HA       ILE  11  10.042   5.770   1.123
   61    HB   ILE  11           HB       ILE  11  11.806   4.031  -0.593
   62   HG12  ILE  11          HG12      ILE  11  11.493   3.877   2.029
   63   HG13  ILE  11          HG13      ILE  11  13.135   3.819   1.347
   64   HG21  ILE  11          HG21      ILE  11  12.291   6.183  -1.608
   65   HG22  ILE  11          HG22      ILE  11  13.602   5.890  -0.418
   66   HG23  ILE  11          HG23      ILE  11  12.262   7.027  -0.019
   67   HD11  ILE  11          HD11      ILE  11  11.893   6.436   2.401
   68   HD12  ILE  11          HD12      ILE  11  13.611   6.128   1.950
   69   HD13  ILE  11          HD13      ILE  11  12.909   5.321   3.390
   70    H    GLY  12           H        GLY  12   9.458   4.555  -2.145
   71    HA2  GLY  12           HA2      GLY  12   9.111   7.289  -3.197
   72    HA3  GLY  12           HA3      GLY  12   8.973   5.730  -4.084
   73    H    TYR  13           H        TYR  13   7.326   6.997  -1.120
   74    HA   TYR  13           HA       TYR  13   4.802   6.744  -2.598
   75    HB2  TYR  13           HB2      TYR  13   5.286   4.644  -1.135
   76    HB3  TYR  13           HB3      TYR  13   5.249   5.744   0.295
   77    HD1  TYR  13           HD1      TYR  13   3.262   5.199  -2.864
   78    HD2  TYR  13           HD2      TYR  13   3.203   5.771   1.407
   79    HE1  TYR  13           HE1      TYR  13   0.789   5.237  -2.897
   80    HE2  TYR  13           HE2      TYR  13   0.737   5.744   1.361
   81    HH   TYR  13           HH       TYR  13  -1.051   4.767  -0.288
   82    H    SER  14           H        SER  14   3.554   8.476  -2.417
   83    HA   SER  14           HA       SER  14   3.874  10.252  -0.064
   84    HB2  SER  14           HB2      SER  14   3.804  11.046  -3.026
   85    HB3  SER  14           HB3      SER  14   3.624  12.231  -1.669
   86    HG   SER  14           HG       SER  14   5.847  11.742  -2.620
   87    H    GLY  15           H        GLY  15   1.820   8.187  -0.702
   88    HA2  GLY  15           HA2      GLY  15  -0.570   9.948  -0.902
   89    HA3  GLY  15           HA3      GLY  15  -0.434   8.271  -1.549
   90    HA   PRO  16           HA       PRO  16  -2.387   8.126   2.678
   91    HB2  PRO  16           HB2      PRO  16  -4.395   6.251   1.770
   92    HB3  PRO  16           HB3      PRO  16  -4.610   8.042   1.947
   93    HG2  PRO  16           HG2      PRO  16  -3.740   6.426  -0.517
   94    HG3  PRO  16           HG3      PRO  16  -5.041   7.693  -0.441
   95    HD2  PRO  16           HD2      PRO  16  -2.587   8.277  -1.394
   96    HD3  PRO  16           HD3      PRO  16  -3.306   9.442  -0.187
   97    H    THR  17           H        THR  17  -1.078   6.894   3.983
   98    HA   THR  17           HA       THR  17  -0.042   4.439   3.043
   99    HB   THR  17           HB       THR  17   1.555   4.623   4.666
  100    HG1  THR  17           HG1      THR  17  -0.420   4.967   6.372
  101   HG21  THR  17          HG21      THR  17   2.127   6.958   4.979
  102   HG22  THR  17          HG22      THR  17   0.425   7.491   4.899
  103   HG23  THR  17          HG23      THR  17   1.262   6.906   3.402
  104    H    VAL  18           H        VAL  18  -2.767   4.116   3.149
  105    HA   VAL  18           HA       VAL  18  -3.052   1.998   5.156
  106    HB   VAL  18           HB       VAL  18  -5.339   4.001   4.881
  107   HG11  VAL  18          HG11      VAL  18  -5.613   1.501   5.798
  108   HG12  VAL  18          HG12      VAL  18  -6.215   2.825   6.841
  109   HG13  VAL  18          HG13      VAL  18  -4.629   2.059   7.190
  110   HG21  VAL  18          HG21      VAL  18  -4.673   4.879   7.162
  111   HG22  VAL  18          HG22      VAL  18  -3.552   5.366   5.835
  112   HG23  VAL  18          HG23      VAL  18  -3.095   4.039   6.968
  113    H    CYS  19           H        CYS  19  -4.225   0.317   4.295
  114    HA   CYS  19           HA       CYS  19  -4.802   0.539   1.463
  115    HB2  CYS  19           HB2      CYS  19  -4.625  -1.677   3.555
  116    HB3  CYS  19           HB3      CYS  19  -4.915  -2.036   1.839
  117    H    ALA  20           H        ALA  20  -6.750  -0.094   0.523
  118    HA   ALA  20           HA       ALA  20  -9.023   1.104   1.033
  119    HB1  ALA  20           HB1      ALA  20  -9.164  -1.748   0.040
  120    HB2  ALA  20           HB2      ALA  20  -8.380  -0.463  -0.923
  121    HB3  ALA  20           HB3      ALA  20 -10.123  -0.323  -0.497
  122    H    SER  21           H        SER  21 -11.286   0.475   1.807
  123    HA   SER  21           HA       SER  21 -11.029  -0.450   4.482
  124    HB2  SER  21           HB2      SER  21 -12.642   1.294   3.488
  125    HB3  SER  21           HB3      SER  21 -13.645  -0.093   2.919
  126    HG   SER  21           HG       SER  21 -14.332   0.611   4.971
  127    H    GLY  22           H        GLY  22 -10.738  -2.293   1.969
  128    HA2  GLY  22           HA2      GLY  22 -11.625  -4.753   3.271
  129    HA3  GLY  22           HA3      GLY  22 -11.878  -4.511   1.501
  130    H    THR  23           H        THR  23  -8.952  -2.987   2.624
  131    HA   THR  23           HA       THR  23  -7.419  -5.349   1.893
  132    HB   THR  23           HB       THR  23  -5.810  -4.157   0.570
  133    HG1  THR  23           HG1      THR  23  -6.442  -2.265  -0.482
  134   HG21  THR  23          HG21      THR  23  -8.278  -5.099  -0.325
  135   HG22  THR  23          HG22      THR  23  -6.880  -4.622  -1.329
  136   HG23  THR  23          HG23      THR  23  -8.238  -3.454  -1.068
  137    H    THR  24           H        THR  24  -5.272  -5.414   2.656
  138    HA   THR  24           HA       THR  24  -4.756  -3.643   4.996
  139    HB   THR  24           HB       THR  24  -5.366  -5.961   5.568
  140    HG1  THR  24           HG1      THR  24  -3.651  -4.700   6.735
  141   HG21  THR  24          HG21      THR  24  -3.728  -6.664   3.318
  142   HG22  THR  24          HG22      THR  24  -4.463  -7.776   4.506
  143   HG23  THR  24          HG23      THR  24  -2.783  -7.174   4.746
  144    H    CYS  25           H        CYS  25  -2.523  -3.161   5.623
  145    HA   CYS  25           HA       CYS  25  -0.789  -2.728   3.327
  146    HB2  CYS  25           HB2      CYS  25  -0.645  -1.974   6.308
  147    HB3  CYS  25           HB3      CYS  25   0.684  -1.621   5.173
  148    H    GLN  26           H        GLN  26   0.279  -4.599   2.703
  149    HA   GLN  26           HA       GLN  26   1.815  -5.937   4.874
  150    HB2  GLN  26           HB2      GLN  26   1.214  -7.264   2.217
  151    HB3  GLN  26           HB3      GLN  26   1.786  -7.999   3.731
  152    HG2  GLN  26           HG2      GLN  26  -0.426  -7.572   4.836
  153    HG3  GLN  26           HG3      GLN  26  -1.032  -6.753   3.371
  154   HE21  GLN  26          HE21      GLN  26  -2.222  -9.073   4.620
  155   HE22  GLN  26          HE22      GLN  26  -2.218 -10.308   3.380
  156    H    VAL  27           H        VAL  27   3.893  -5.580   4.819
  157    HA   VAL  27           HA       VAL  27   5.109  -3.991   2.892
  158    HB   VAL  27           HB       VAL  27   6.420  -5.786   4.974
  159   HG11  VAL  27          HG11      VAL  27   8.103  -5.015   3.322
  160   HG12  VAL  27          HG12      VAL  27   8.280  -4.034   4.808
  161   HG13  VAL  27          HG13      VAL  27   7.452  -3.334   3.372
  162   HG21  VAL  27          HG21      VAL  27   5.265  -2.916   5.070
  163   HG22  VAL  27          HG22      VAL  27   6.472  -3.516   6.257
  164   HG23  VAL  27          HG23      VAL  27   4.861  -4.304   6.140
  165    H    LEU  28           H        LEU  28   6.577  -4.329   1.263
  166    HA   LEU  28           HA       LEU  28   6.637  -7.098   0.246
  167    HB2  LEU  28           HB2      LEU  28   6.019  -4.557  -1.003
  168    HB3  LEU  28           HB3      LEU  28   7.634  -4.977  -1.622
  169    HG   LEU  28           HG       LEU  28   6.318  -5.907  -3.229
  170   HD11  LEU  28          HD11      LEU  28   7.806  -7.680  -1.910
  171   HD12  LEU  28          HD12      LEU  28   6.674  -8.206  -3.206
  172   HD13  LEU  28          HD13      LEU  28   6.207  -8.389  -1.475
  173   HD21  LEU  28          HD21      LEU  28   4.104  -5.594  -2.674
  174   HD22  LEU  28          HD22      LEU  28   4.299  -6.222  -0.992
  175   HD23  LEU  28          HD23      LEU  28   4.176  -7.366  -2.377
  176    H    ASN  29           H        ASN  29   8.627  -4.155   0.187
  177    HA   ASN  29           HA       ASN  29  11.021  -5.779   0.751
  178    HB2  ASN  29           HB2      ASN  29  11.306  -3.444  -1.220
  179    HB3  ASN  29           HB3      ASN  29  12.264  -4.964  -1.084
  180   HD21  ASN  29          HD21      ASN  29  10.924  -3.540  -3.445
  181   HD22  ASN  29          HD22      ASN  29   9.899  -4.782  -4.128
  182    HA   PRO  30           HA       PRO  30  11.582  -2.437   3.537
  183    HB2  PRO  30           HB2      PRO  30  14.443  -1.816   2.642
  184    HB3  PRO  30           HB3      PRO  30  13.874  -2.366   4.254
  185    HG2  PRO  30           HG2      PRO  30  15.220  -4.049   2.504
  186    HG3  PRO  30           HG3      PRO  30  13.906  -4.656   3.591
  187    HD2  PRO  30           HD2      PRO  30  13.744  -3.977   0.614
  188    HD3  PRO  30           HD3      PRO  30  12.987  -5.348   1.548
  189    H    TYR  31           H        TYR  31  11.433  -1.752   0.425
  190    HA   TYR  31           HA       TYR  31  11.414   1.174   0.716
  191    HB2  TYR  31           HB2      TYR  31  12.742  -0.490  -1.527
  192    HB3  TYR  31           HB3      TYR  31  12.294   1.238  -1.764
  193    HD1  TYR  31           HD2      TYR  31  14.361  -1.053   0.420
  194    HD2  TYR  31           HD1      TYR  31  13.703   2.953  -0.982
  195    HE1  TYR  31           HE2      TYR  31  16.338  -0.278   1.689
  196    HE2  TYR  31           HE1      TYR  31  15.714   3.708   0.240
  197    HH   TYR  31           HH       TYR  31  17.780   2.786   1.189
  198    H    TYR  32           H        TYR  32   9.421  -1.449   0.346
  199    HA   TYR  32           HA       TYR  32   7.502   0.082  -1.126
  200    HB2  TYR  32           HB2      TYR  32   8.838  -0.888  -3.049
  201    HB3  TYR  32           HB3      TYR  32   8.587  -2.532  -2.359
  202    HD1  TYR  32           HD2      TYR  32   6.719   0.484  -3.560
  203    HD2  TYR  32           HD1      TYR  32   6.767  -3.764  -3.206
  204    HE1  TYR  32           HE2      TYR  32   4.510   0.371  -4.702
  205    HE2  TYR  32           HE1      TYR  32   4.580  -3.905  -4.348
  206    HH   TYR  32           HH       TYR  32   2.774  -0.940  -5.255
  207    H    SER  33           H        SER  33   5.364  -0.537  -0.604
  208    HA   SER  33           HA       SER  33   4.901  -3.139   0.617
  209    HB2  SER  33           HB2      SER  33   3.965  -0.559   2.026
  210    HB3  SER  33           HB3      SER  33   3.512  -2.230   2.485
  211    HG   SER  33           HG       SER  33   5.751  -0.768   3.070
  212    H    GLN  34           H        GLN  34   2.847  -3.876   0.208
  213    HA   GLN  34           HA       GLN  34   1.304  -2.223  -1.657
  214    HB2  GLN  34           HB2      GLN  34   2.241  -4.970  -1.717
  215    HB3  GLN  34           HB3      GLN  34   0.487  -4.994  -1.792
  216    HG2  GLN  34           HG2      GLN  34   0.849  -3.037  -3.665
  217    HG3  GLN  34           HG3      GLN  34   2.504  -3.722  -3.693
  218   HE21  GLN  34          HE21      GLN  34  -0.361  -3.896  -5.299
  219   HE22  GLN  34          HE22      GLN  34  -0.288  -5.576  -5.803
  220    H    CYS  35           H        CYS  35  -0.995  -2.874  -1.841
  221    HA   CYS  35           HA       CYS  35  -2.271  -3.229   0.792
  222    HB2  CYS  35           HB2      CYS  35  -3.006  -1.590  -1.725
  223    HB3  CYS  35           HB3      CYS  35  -4.250  -1.927  -0.471
  224    H    LEU  36           H        LEU  36  -3.405  -5.119   1.087
  225    HA   LEU  36           HA       LEU  36  -4.457  -6.350  -1.393
  226    HB2  LEU  36           HB2      LEU  36  -3.355  -7.942   0.951
  227    HB3  LEU  36           HB3      LEU  36  -3.738  -8.473  -0.714
  228    HG   LEU  36           HG       LEU  36  -1.391  -8.480  -0.414
  229   HD11  LEU  36          HD11      LEU  36  -1.381  -5.883  -1.943
  230   HD12  LEU  36          HD12      LEU  36  -2.575  -7.082  -2.520
  231   HD13  LEU  36          HD13      LEU  36  -0.821  -7.519  -2.434
  232   HD21  LEU  36          HD21      LEU  36  -0.958  -5.545   0.175
  233   HD22  LEU  36          HD22      LEU  36  -0.106  -7.008   0.754
  234   HD23  LEU  36          HD23      LEU  36  -1.698  -6.527   1.458
  235    H1   MAN 101           H1       MAN  37 -10.061   2.204   2.417
  236    H2   MAN 101           H2       MAN  37  -8.954   3.094   0.366
  237    H3   MAN 101           H3       MAN  37  -9.492   5.448   0.937
  238    H4   MAN 101           H4       MAN  37 -12.265   4.772  -0.068
  239    H5   MAN 101           H5       MAN  37 -11.232   5.603   2.706
  240    H61  MAN 101           H61      MAN  37 -13.955   4.631   1.688
  241    H62  MAN 101           H62      MAN  37 -13.538   6.295   2.225
  242    HO2  MAN 101           HO2      MAN  37 -10.345   2.398  -1.063
  243    HO3  MAN 101           HO3      MAN  37 -10.260   4.854  -1.723
  244    HO4  MAN 101           HO4      MAN  37 -10.904   7.191   0.506
  245    HO6  MAN 101           HO6      MAN  37 -12.871   4.952   4.302
  246    H1   MAN 102           H1       MAN  38  -7.879   2.692  -6.979
  247    H2   MAN 102           H2       MAN  38  -5.936   1.124  -7.083
  248    H3   MAN 102           H3       MAN  38  -4.754   2.200  -5.151
  249    H4   MAN 102           H4       MAN  38  -4.030   4.342  -7.210
  250    H5   MAN 102           H5       MAN  38  -5.748   4.500  -4.681
  251    H61  MAN 102           H61      MAN  38  -5.397   6.587  -6.879
  252    H62  MAN 102           H62      MAN  38  -4.481   6.584  -5.331
  253    HO2  MAN 102           HO2      MAN  38  -6.289   3.146  -8.744
  254    HO3  MAN 102           HO3      MAN  38  -3.609   0.904  -6.928
  255    HO4  MAN 102           HO4      MAN  38  -2.412   3.983  -5.736
  256    HO6  MAN 102           HO6      MAN  38  -7.339   6.514  -5.493
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -8.047   6.330   2.267
    2    H2   THR   1           H2       THR   1  -6.477   6.626   2.844
    3    H3   THR   1           H3       THR   1  -7.606   5.757   3.798
    4    HA   THR   1           HA       THR   1  -5.898   4.434   2.622
    5    HB   THR   1           HB       THR   1  -7.792   2.662   1.955
    6   HG21  THR   1          HG21      THR   1  -6.875   2.665   4.214
    7   HG22  THR   1          HG22      THR   1  -8.622   2.378   4.254
    8   HG23  THR   1          HG23      THR   1  -7.967   3.979   4.759
    9    H    GLN   2           H        GLN   2  -5.977   2.831   0.355
   10    HA   GLN   2           HA       GLN   2  -6.798   4.596  -1.904
   11    HB2  GLN   2           HB2      GLN   2  -4.998   3.014  -3.218
   12    HB3  GLN   2           HB3      GLN   2  -4.629   4.495  -2.482
   13    HG2  GLN   2           HG2      GLN   2  -4.528   1.837  -0.790
   14    HG3  GLN   2           HG3      GLN   2  -3.244   2.138  -2.006
   15   HE21  GLN   2          HE21      GLN   2  -3.552   5.115  -1.463
   16   HE22  GLN   2          HE22      GLN   2  -2.534   5.300  -0.090
   17    H    SER   3           H        SER   3  -5.708   1.320  -2.351
   18    HA   SER   3           HA       SER   3  -8.364   0.402  -3.103
   19    HB2  SER   3           HB2      SER   3  -6.355   0.149  -5.358
   20    HB3  SER   3           HB3      SER   3  -8.151   0.475  -5.426
   21    H    HIS   4           H        HIS   4  -7.702  -1.748  -4.619
   22    HA   HIS   4           HA       HIS   4  -6.136  -3.371  -2.754
   23    HB2  HIS   4           HB2      HIS   4  -8.394  -4.072  -3.866
   24    HB3  HIS   4           HB3      HIS   4  -7.471  -4.249  -5.398
   25    HD1  HIS   4           HD1      HIS   4  -8.769  -6.716  -4.380
   26    HD2  HIS   4           HD2      HIS   4  -5.130  -5.545  -2.666
   27    HE1  HIS   4           HE1      HIS   4  -7.731  -8.774  -3.319
   28    HE2  HIS   4           HE2      HIS   4  -5.840  -7.791  -1.965
   29    H    TYR   5           H        TYR   5  -4.049  -3.930  -3.133
   30    HA   TYR   5           HA       TYR   5  -2.172  -4.293  -3.964
   31    HB2  TYR   5           HB2      TYR   5  -3.208  -3.996  -6.820
   32    HB3  TYR   5           HB3      TYR   5  -1.738  -4.876  -6.270
   33    HD1  TYR   5           HD1      TYR   5  -2.137  -6.863  -4.543
   34    HD2  TYR   5           HD2      TYR   5  -5.206  -5.134  -7.005
   35    HE1  TYR   5           HE1      TYR   5  -3.479  -8.937  -4.336
   36    HE2  TYR   5           HE2      TYR   5  -6.551  -7.198  -6.785
   37    HH   TYR   5           HH       TYR   5  -6.611  -9.320  -6.013
   38    H    GLY   6           H        GLY   6  -3.476  -1.509  -3.769
   39    HA2  GLY   6           HA2      GLY   6  -1.707   0.224  -5.234
   40    HA3  GLY   6           HA3      GLY   6  -2.788   0.656  -3.847
   41    H    GLN   7           H        GLN   7  -0.418   1.941  -3.772
   42    HA   GLN   7           HA       GLN   7   1.399   0.264  -2.188
   43    HB2  GLN   7           HB2      GLN   7   2.249   1.650  -4.038
   44    HB3  GLN   7           HB3      GLN   7   1.604   3.122  -3.261
   45    HG2  GLN   7           HG2      GLN   7   3.166   2.831  -1.320
   46    HG3  GLN   7           HG3      GLN   7   3.667   1.217  -1.945
   47   HE21  GLN   7          HE21      GLN   7   5.845   2.158  -1.887
   48   HE22  GLN   7          HE22      GLN   7   6.363   3.190  -3.226
   49    H    CYS   8           H        CYS   8   1.780   0.703   0.036
   50    HA   CYS   8           HA       CYS   8   0.232   2.965   1.228
   51    HB2  CYS   8           HB2      CYS   8  -0.379   1.562   3.135
   52    HB3  CYS   8           HB3      CYS   8  -0.969   0.934   1.582
   53    H    GLY   9           H        GLY   9   3.268   1.370   0.971
   54    HA2  GLY   9           HA2      GLY   9   4.470   3.209   2.882
   55    HA3  GLY   9           HA3      GLY   9   4.414   1.476   3.384
   56    H    GLY  10           H        GLY  10   5.683   3.711   0.853
   57    HA2  GLY  10           HA2      GLY  10   8.046   1.940   0.837
   58    HA3  GLY  10           HA3      GLY  10   7.302   2.428  -0.732
   59    H    ILE  11           H        ILE  11   9.941   3.143   0.336
   60    HA   ILE  11           HA       ILE  11  10.039   5.735   1.256
   61    HB   ILE  11           HB       ILE  11  11.732   4.051  -0.598
   62   HG12  ILE  11          HG12      ILE  11  11.463   3.710   2.015
   63   HG13  ILE  11          HG13      ILE  11  13.085   3.646   1.286
   64   HG21  ILE  11          HG21      ILE  11  12.279   6.255  -1.457
   65   HG22  ILE  11          HG22      ILE  11  13.589   5.841  -0.304
   66   HG23  ILE  11          HG23      ILE  11  12.283   6.982   0.189
   67   HD11  ILE  11          HD11      ILE  11  11.976   6.233   2.540
   68   HD12  ILE  11          HD12      ILE  11  13.674   5.868   2.055
   69   HD13  ILE  11          HD13      ILE  11  12.940   5.006   3.447
   70    H    GLY  12           H        GLY  12   9.504   4.692  -2.094
   71    HA2  GLY  12           HA2      GLY  12   9.035   7.505  -2.926
   72    HA3  GLY  12           HA3      GLY  12   9.174   6.051  -3.985
   73    H    TYR  13           H        TYR  13   7.170   7.263  -1.241
   74    HA   TYR  13           HA       TYR  13   4.841   6.550  -2.866
   75    HB2  TYR  13           HB2      TYR  13   5.342   4.682  -1.183
   76    HB3  TYR  13           HB3      TYR  13   5.275   5.913   0.127
   77    HD1  TYR  13           HD1      TYR  13   3.116   5.492  -2.945
   78    HD2  TYR  13           HD2      TYR  13   3.389   5.342   1.371
   79    HE1  TYR  13           HE1      TYR  13   0.676   5.405  -2.792
   80    HE2  TYR  13           HE2      TYR  13   0.908   5.243   1.486
   81    HH   TYR  13           HH       TYR  13  -0.849   4.339  -0.430
   82    H    SER  14           H        SER  14   3.378   8.165  -3.010
   83    HA   SER  14           HA       SER  14   3.270  10.150  -0.811
   84    HB2  SER  14           HB2      SER  14   3.214  10.798  -3.821
   85    HB3  SER  14           HB3      SER  14   3.039  11.981  -2.471
   86    HG   SER  14           HG       SER  14   5.234  10.545  -2.019
   87    H    GLY  15           H        GLY  15   1.490   8.363  -0.388
   88    HA2  GLY  15           HA2      GLY  15  -0.961   9.663  -1.188
   89    HA3  GLY  15           HA3      GLY  15  -0.744   7.932  -1.698
   90    HA   PRO  16           HA       PRO  16  -2.733   8.276   2.540
   91    HB2  PRO  16           HB2      PRO  16  -4.268   5.939   1.395
   92    HB3  PRO  16           HB3      PRO  16  -4.899   7.387   2.256
   93    HG2  PRO  16           HG2      PRO  16  -4.796   6.873  -0.631
   94    HG3  PRO  16           HG3      PRO  16  -5.382   8.369   0.154
   95    HD2  PRO  16           HD2      PRO  16  -2.994   8.014  -1.406
   96    HD3  PRO  16           HD3      PRO  16  -3.391   9.462  -0.374
   97    H    THR  17           H        THR  17  -1.912   7.136   4.390
   98    HA   THR  17           HA       THR  17  -0.107   4.997   3.722
   99    HB   THR  17           HB       THR  17   0.481   5.309   6.214
  100    HG1  THR  17           HG1      THR  17  -0.494   6.944   7.194
  101   HG21  THR  17          HG21      THR  17   0.605   7.459   4.002
  102   HG22  THR  17          HG22      THR  17   1.890   6.375   4.619
  103   HG23  THR  17          HG23      THR  17   1.323   7.764   5.618
  104    H    VAL  18           H        VAL  18  -2.895   4.294   3.472
  105    HA   VAL  18           HA       VAL  18  -3.134   2.144   5.435
  106    HB   VAL  18           HB       VAL  18  -5.490   4.066   4.995
  107   HG11  VAL  18          HG11      VAL  18  -5.752   1.490   5.837
  108   HG12  VAL  18          HG12      VAL  18  -6.597   2.782   6.730
  109   HG13  VAL  18          HG13      VAL  18  -5.052   2.124   7.363
  110   HG21  VAL  18          HG21      VAL  18  -3.531   4.078   7.348
  111   HG22  VAL  18          HG22      VAL  18  -5.142   4.882   7.346
  112   HG23  VAL  18          HG23      VAL  18  -3.861   5.426   6.201
  113    H    CYS  19           H        CYS  19  -4.453   0.430   4.489
  114    HA   CYS  19           HA       CYS  19  -4.716   0.751   1.590
  115    HB2  CYS  19           HB2      CYS  19  -4.523  -1.504   3.613
  116    HB3  CYS  19           HB3      CYS  19  -4.937  -1.877   1.930
  117    H    ALA  20           H        ALA  20  -6.602  -0.174   0.513
  118    HA   ALA  20           HA       ALA  20  -8.902   1.094   0.815
  119    HB1  ALA  20           HB1      ALA  20  -9.068  -1.790  -0.030
  120    HB2  ALA  20           HB2      ALA  20  -8.151  -0.610  -0.998
  121    HB3  ALA  20           HB3      ALA  20  -9.911  -0.355  -0.719
  122    H    SER  21           H        SER  21 -11.191   0.520   1.528
  123    HA   SER  21           HA       SER  21 -11.007  -0.250   4.259
  124    HB2  SER  21           HB2      SER  21 -12.635   1.403   2.989
  125    HB3  SER  21           HB3      SER  21 -13.656  -0.060   2.736
  126    HG   SER  21           HG       SER  21 -14.282   0.791   4.679
  127    H    GLY  22           H        GLY  22 -10.746  -2.200   1.807
  128    HA2  GLY  22           HA2      GLY  22 -11.656  -4.604   3.200
  129    HA3  GLY  22           HA3      GLY  22 -11.891  -4.415   1.421
  130    H    THR  23           H        THR  23  -8.946  -2.890   2.473
  131    HA   THR  23           HA       THR  23  -7.453  -5.309   1.839
  132    HB   THR  23           HB       THR  23  -5.825  -4.237   0.473
  133    HG1  THR  23           HG1      THR  23  -6.199  -2.281  -0.480
  134   HG21  THR  23          HG21      THR  23  -8.520  -4.804  -0.382
  135   HG22  THR  23          HG22      THR  23  -7.014  -4.824  -1.330
  136   HG23  THR  23          HG23      THR  23  -8.014  -3.326  -1.281
  137    H    THR  24           H        THR  24  -5.446  -5.508   2.804
  138    HA   THR  24           HA       THR  24  -4.949  -3.676   5.088
  139    HB   THR  24           HB       THR  24  -5.278  -5.945   5.823
  140    HG1  THR  24           HG1      THR  24  -3.504  -4.894   6.835
  141   HG21  THR  24          HG21      THR  24  -3.402  -6.576   3.484
  142   HG22  THR  24          HG22      THR  24  -4.944  -7.347   3.972
  143   HG23  THR  24          HG23      THR  24  -3.444  -7.680   4.896
  144    H    CYS  25           H        CYS  25  -2.730  -3.005   5.662
  145    HA   CYS  25           HA       CYS  25  -1.037  -2.659   3.279
  146    HB2  CYS  25           HB2      CYS  25  -1.608  -0.579   4.582
  147    HB3  CYS  25           HB3      CYS  25  -0.932  -1.323   6.054
  148    H    GLN  26           H        GLN  26   0.263  -4.349   2.951
  149    HA   GLN  26           HA       GLN  26   1.771  -5.302   5.326
  150    HB2  GLN  26           HB2      GLN  26   1.297  -7.025   2.873
  151    HB3  GLN  26           HB3      GLN  26   1.909  -7.501   4.481
  152    HG2  GLN  26           HG2      GLN  26  -0.376  -6.996   5.499
  153    HG3  GLN  26           HG3      GLN  26  -1.017  -6.601   3.889
  154   HE21  GLN  26          HE21      GLN  26   0.063  -8.606   2.281
  155   HE22  GLN  26          HE22      GLN  26  -0.567 -10.147   2.830
  156    H    VAL  27           H        VAL  27   3.904  -5.205   5.203
  157    HA   VAL  27           HA       VAL  27   5.083  -3.765   3.156
  158    HB   VAL  27           HB       VAL  27   6.378  -5.339   5.394
  159   HG11  VAL  27          HG11      VAL  27   8.230  -4.941   3.973
  160   HG12  VAL  27          HG12      VAL  27   8.200  -3.397   4.902
  161   HG13  VAL  27          HG13      VAL  27   7.522  -3.451   3.250
  162   HG21  VAL  27          HG21      VAL  27   4.779  -3.527   6.187
  163   HG22  VAL  27          HG22      VAL  27   5.655  -2.328   5.183
  164   HG23  VAL  27          HG23      VAL  27   6.490  -3.129   6.547
  165    H    LEU  28           H        LEU  28   6.446  -4.161   1.479
  166    HA   LEU  28           HA       LEU  28   6.482  -6.975   0.577
  167    HB2  LEU  28           HB2      LEU  28   5.866  -4.446  -0.758
  168    HB3  LEU  28           HB3      LEU  28   7.343  -5.072  -1.518
  169    HG   LEU  28           HG       LEU  28   5.868  -7.383  -1.419
  170   HD11  LEU  28          HD11      LEU  28   3.964  -5.001  -1.933
  171   HD12  LEU  28          HD12      LEU  28   3.859  -6.180  -0.573
  172   HD13  LEU  28          HD13      LEU  28   3.599  -6.733  -2.271
  173   HD21  LEU  28          HD21      LEU  28   7.196  -6.316  -3.348
  174   HD22  LEU  28          HD22      LEU  28   5.690  -5.406  -3.767
  175   HD23  LEU  28          HD23      LEU  28   5.690  -7.196  -3.785
  176    H    ASN  29           H        ASN  29   8.482  -4.132  -0.034
  177    HA   ASN  29           HA       ASN  29  10.878  -5.790   0.471
  178    HB2  ASN  29           HB2      ASN  29  10.923  -3.406  -1.481
  179    HB3  ASN  29           HB3      ASN  29  11.992  -4.861  -1.429
  180   HD21  ASN  29          HD21      ASN  29  10.348  -3.580  -3.667
  181   HD22  ASN  29          HD22      ASN  29   9.371  -4.911  -4.244
  182    HA   PRO  30           HA       PRO  30  11.845  -2.553   3.276
  183    HB2  PRO  30           HB2      PRO  30  14.614  -1.956   2.160
  184    HB3  PRO  30           HB3      PRO  30  14.183  -2.667   3.751
  185    HG2  PRO  30           HG2      PRO  30  15.314  -4.156   1.673
  186    HG3  PRO  30           HG3      PRO  30  14.172  -4.869   2.885
  187    HD2  PRO  30           HD2      PRO  30  13.593  -3.958   0.031
  188    HD3  PRO  30           HD3      PRO  30  12.963  -5.402   0.952
  189    H    TYR  31           H        TYR  31  11.495  -1.790   0.156
  190    HA   TYR  31           HA       TYR  31  11.502   1.123   0.578
  191    HB2  TYR  31           HB2      TYR  31  12.683  -0.446  -1.809
  192    HB3  TYR  31           HB3      TYR  31  12.231   1.292  -1.947
  193    HD1  TYR  31           HD2      TYR  31  14.444  -1.106  -0.057
  194    HD2  TYR  31           HD1      TYR  31  13.626   2.986  -1.074
  195    HE1  TYR  31           HE2      TYR  31  16.509  -0.396   1.111
  196    HE2  TYR  31           HE1      TYR  31  15.708   3.683   0.060
  197    HH   TYR  31           HH       TYR  31  17.868   2.716   0.745
  198    H    TYR  32           H        TYR  32   9.445  -1.418   0.287
  199    HA   TYR  32           HA       TYR  32   7.485   0.177  -1.068
  200    HB2  TYR  32           HB2      TYR  32   8.669  -0.774  -3.075
  201    HB3  TYR  32           HB3      TYR  32   8.429  -2.430  -2.411
  202    HD1  TYR  32           HD2      TYR  32   6.655   0.602  -3.667
  203    HD2  TYR  32           HD1      TYR  32   6.411  -3.576  -2.863
  204    HE1  TYR  32           HE2      TYR  32   4.349   0.565  -4.609
  205    HE2  TYR  32           HE1      TYR  32   4.139  -3.652  -3.863
  206    HH   TYR  32           HH       TYR  32   2.631  -0.802  -5.302
  207    H    SER  33           H        SER  33   5.325  -0.432  -0.537
  208    HA   SER  33           HA       SER  33   4.830  -3.035   0.647
  209    HB2  SER  33           HB2      SER  33   4.080  -0.456   2.172
  210    HB3  SER  33           HB3      SER  33   3.626  -2.113   2.641
  211    HG   SER  33           HG       SER  33   6.354  -1.478   2.248
  212    H    GLN  34           H        GLN  34   2.600  -3.598   0.385
  213    HA   GLN  34           HA       GLN  34   1.146  -1.623  -1.248
  214    HB2  GLN  34           HB2      GLN  34   0.674  -3.113  -2.958
  215    HB3  GLN  34           HB3      GLN  34   2.372  -3.481  -2.600
  216    HG2  GLN  34           HG2      GLN  34   1.664  -5.510  -1.236
  217    HG3  GLN  34           HG3      GLN  34  -0.039  -5.143  -1.537
  218   HE21  GLN  34          HE21      GLN  34   0.032  -4.414  -4.291
  219   HE22  GLN  34          HE22      GLN  34   0.328  -5.923  -5.132
  220    H    CYS  35           H        CYS  35  -1.075  -2.522  -1.698
  221    HA   CYS  35           HA       CYS  35  -2.308  -3.211   0.859
  222    HB2  CYS  35           HB2      CYS  35  -3.332  -1.873  -1.720
  223    HB3  CYS  35           HB3      CYS  35  -4.361  -2.192  -0.288
  224    H    LEU  36           H        LEU  36  -3.450  -5.081   1.254
  225    HA   LEU  36           HA       LEU  36  -4.100  -6.723  -1.124
  226    HB2  LEU  36           HB2      LEU  36  -3.315  -7.751   1.643
  227    HB3  LEU  36           HB3      LEU  36  -3.583  -8.686   0.146
  228    HG   LEU  36           HG       LEU  36  -1.262  -8.620   0.574
  229   HD11  LEU  36          HD11      LEU  36  -1.636  -6.527  -1.647
  230   HD12  LEU  36          HD12      LEU  36  -2.080  -8.250  -1.838
  231   HD13  LEU  36          HD13      LEU  36  -0.364  -7.790  -1.507
  232   HD21  LEU  36          HD21      LEU  36   0.052  -6.807   1.289
  233   HD22  LEU  36          HD22      LEU  36  -1.560  -6.283   1.922
  234   HD23  LEU  36          HD23      LEU  36  -0.916  -5.601   0.415
  235    H1   MAN 101           H1       MAN  37 -10.027   2.275   2.066
  236    H2   MAN 101           H2       MAN  37  -8.778   2.998   0.031
  237    H3   MAN 101           H3       MAN  37  -9.253   5.417   0.470
  238    H4   MAN 101           H4       MAN  37 -11.962   4.829  -0.711
  239    H5   MAN 101           H5       MAN  37 -11.128   5.720   2.116
  240    H61  MAN 101           H61      MAN  37 -13.763   4.705   0.912
  241    H62  MAN 101           H62      MAN  37 -13.376   6.404   1.367
  242    HO2  MAN 101           HO2      MAN  37 -10.544   2.714  -1.531
  243    HO3  MAN 101           HO3      MAN  37  -9.327   4.322  -2.093
  244    HO4  MAN 101           HO4      MAN  37 -10.749   6.894  -1.033
  245    HO6  MAN 101           HO6      MAN  37 -12.867   4.934   3.530
  246    H1   MAN 102           H1       MAN  38  -7.767   2.280  -7.067
  247    H2   MAN 102           H2       MAN  38  -5.880   0.664  -7.270
  248    H3   MAN 102           H3       MAN  38  -4.551   1.693  -5.426
  249    H4   MAN 102           H4       MAN  38  -3.923   3.855  -7.503
  250    H5   MAN 102           H5       MAN  38  -5.451   4.043  -4.866
  251    H61  MAN 102           H61      MAN  38  -5.207   6.076  -7.127
  252    H62  MAN 102           H62      MAN  38  -4.222   6.101  -5.618
  253    HO2  MAN 102           HO2      MAN  38  -4.950   1.550  -9.095
  254    HO3  MAN 102           HO3      MAN  38  -2.995   1.598  -7.817
  255    HO4  MAN 102           HO4      MAN  38  -2.174   3.571  -6.164
  256    HO6  MAN 102           HO6      MAN  38  -7.081   6.081  -5.709
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1 -10.099   5.613  -0.467
    2    H2   THR   1           H2       THR   1 -10.159   6.066   1.169
    3    H3   THR   1           H3       THR   1 -10.265   4.450   0.765
    4    HA   THR   1           HA       THR   1  -7.936   6.237   0.898
    5    HB   THR   1           HB       THR   1  -8.004   3.173   1.084
    6   HG21  THR   1          HG21      THR   1  -5.823   5.131   1.032
    7   HG22  THR   1          HG22      THR   1  -5.727   3.361   1.068
    8   HG23  THR   1          HG23      THR   1  -5.836   4.290   2.600
    9    H    GLN   2           H        GLN   2  -6.303   3.869  -0.686
   10    HA   GLN   2           HA       GLN   2  -6.773   5.111  -3.282
   11    HB2  GLN   2           HB2      GLN   2  -4.659   3.857  -3.884
   12    HB3  GLN   2           HB3      GLN   2  -4.476   4.999  -2.589
   13    HG2  GLN   2           HG2      GLN   2  -5.238   2.239  -1.520
   14    HG3  GLN   2           HG3      GLN   2  -3.785   2.186  -2.553
   15   HE21  GLN   2          HE21      GLN   2  -4.142   5.206  -0.832
   16   HE22  GLN   2          HE22      GLN   2  -3.055   4.782   0.425
   17    H    SER   3           H        SER   3  -5.477   2.149  -3.770
   18    HA   SER   3           HA       SER   3  -7.980   0.841  -4.574
   19    HB2  SER   3           HB2      SER   3  -5.622   0.142  -6.256
   20    HB3  SER   3           HB3      SER   3  -7.256   0.794  -6.746
   21    H    HIS   4           H        HIS   4  -7.222  -1.514  -5.393
   22    HA   HIS   4           HA       HIS   4  -6.008  -2.871  -3.108
   23    HB2  HIS   4           HB2      HIS   4  -8.141  -3.714  -4.288
   24    HB3  HIS   4           HB3      HIS   4  -7.168  -3.940  -5.784
   25    HD1  HIS   4           HD1      HIS   4  -8.355  -6.444  -5.138
   26    HD2  HIS   4           HD2      HIS   4  -5.206  -5.197  -2.683
   27    HE1  HIS   4           HE1      HIS   4  -7.439  -8.505  -3.988
   28    HE2  HIS   4           HE2      HIS   4  -5.963  -7.436  -2.198
   29    H    TYR   5           H        TYR   5  -3.877  -3.862  -3.256
   30    HA   TYR   5           HA       TYR   5  -1.904  -4.272  -3.985
   31    HB2  TYR   5           HB2      TYR   5  -2.842  -4.112  -6.876
   32    HB3  TYR   5           HB3      TYR   5  -1.342  -4.877  -6.251
   33    HD1  TYR   5           HD1      TYR   5  -1.681  -6.748  -4.382
   34    HD2  TYR   5           HD2      TYR   5  -4.732  -5.446  -7.111
   35    HE1  TYR   5           HE1      TYR   5  -2.868  -8.885  -4.061
   36    HE2  TYR   5           HE2      TYR   5  -5.919  -7.609  -6.798
   37    HH   TYR   5           HH       TYR   5  -4.658 -10.140  -4.637
   38    H    GLY   6           H        GLY   6  -3.120  -1.499  -3.760
   39    HA2  GLY   6           HA2      GLY   6  -1.268   0.194  -5.198
   40    HA3  GLY   6           HA3      GLY   6  -2.399   0.652  -3.858
   41    H    GLN   7           H        GLN   7  -0.196   1.945  -3.503
   42    HA   GLN   7           HA       GLN   7   1.656   0.267  -1.950
   43    HB2  GLN   7           HB2      GLN   7   2.486   1.755  -3.777
   44    HB3  GLN   7           HB3      GLN   7   1.765   3.165  -2.964
   45    HG2  GLN   7           HG2      GLN   7   3.290   2.925  -1.011
   46    HG3  GLN   7           HG3      GLN   7   3.875   1.328  -1.628
   47   HE21  GLN   7          HE21      GLN   7   6.015   2.381  -1.529
   48   HE22  GLN   7          HE22      GLN   7   6.499   3.400  -2.890
   49    H    CYS   8           H        CYS   8   1.872   0.653   0.308
   50    HA   CYS   8           HA       CYS   8   0.306   2.954   1.410
   51    HB2  CYS   8           HB2      CYS   8  -0.332   1.499   3.349
   52    HB3  CYS   8           HB3      CYS   8  -1.011   1.046   1.786
   53    H    GLY   9           H        GLY   9   3.344   1.413   1.264
   54    HA2  GLY   9           HA2      GLY   9   4.367   3.132   3.394
   55    HA3  GLY   9           HA3      GLY   9   4.345   1.361   3.744
   56    H    GLY  10           H        GLY  10   5.456   3.740   1.282
   57    HA2  GLY  10           HA2      GLY  10   8.024   2.316   1.335
   58    HA3  GLY  10           HA3      GLY  10   7.234   2.555  -0.262
   59    H    ILE  11           H        ILE  11   9.564   3.683  -0.105
   60    HA   ILE  11           HA       ILE  11   9.495   6.244   1.139
   61    HB   ILE  11           HB       ILE  11  11.707   6.331   0.659
   62   HG12  ILE  11          HG12      ILE  11  11.741   6.599  -1.734
   63   HG13  ILE  11          HG13      ILE  11  12.898   5.348  -1.260
   64   HG21  ILE  11          HG21      ILE  11  12.659   4.144   1.026
   65   HG22  ILE  11          HG22      ILE  11  11.322   3.321   0.174
   66   HG23  ILE  11          HG23      ILE  11  11.046   4.087   1.790
   67   HD11  ILE  11          HD11      ILE  11  12.001   4.054  -2.955
   68   HD12  ILE  11          HD12      ILE  11  10.632   5.176  -3.158
   69   HD13  ILE  11          HD13      ILE  11  10.531   3.853  -1.942
   70    H    GLY  12           H        GLY  12   8.320   5.018  -1.719
   71    HA2  GLY  12           HA2      GLY  12   8.359   7.575  -3.234
   72    HA3  GLY  12           HA3      GLY  12   8.256   5.901  -3.924
   73    H    TYR  13           H        TYR  13   6.598   7.468  -1.191
   74    HA   TYR  13           HA       TYR  13   4.073   6.926  -2.551
   75    HB2  TYR  13           HB2      TYR  13   4.826   4.962  -0.995
   76    HB3  TYR  13           HB3      TYR  13   4.807   6.127   0.371
   77    HD1  TYR  13           HD1      TYR  13   2.593   5.534  -2.639
   78    HD2  TYR  13           HD2      TYR  13   2.892   5.640   1.673
   79    HE1  TYR  13           HE1      TYR  13   0.155   5.332  -2.461
   80    HE2  TYR  13           HE2      TYR  13   0.422   5.365   1.816
   81    HH   TYR  13           HH       TYR  13  -1.155   4.117  -0.330
   82    H    SER  14           H        SER  14   2.665   8.585  -2.403
   83    HA   SER  14           HA       SER  14   2.910  10.432  -0.123
   84    HB2  SER  14           HB2      SER  14   2.717  12.384  -1.709
   85    HB3  SER  14           HB3      SER  14   4.234  11.436  -1.888
   86    HG   SER  14           HG       SER  14   2.111  11.727  -3.656
   87    H    GLY  15           H        GLY  15   1.009   8.448  -0.174
   88    HA2  GLY  15           HA2      GLY  15  -1.439  10.042  -0.528
   89    HA3  GLY  15           HA3      GLY  15  -1.301   8.347  -1.153
   90    HA   PRO  16           HA       PRO  16  -3.034   8.430   3.215
   91    HB2  PRO  16           HB2      PRO  16  -4.924   6.375   2.352
   92    HB3  PRO  16           HB3      PRO  16  -5.307   8.066   2.782
   93    HG2  PRO  16           HG2      PRO  16  -4.777   6.843   0.027
   94    HG3  PRO  16           HG3      PRO  16  -5.890   8.199   0.445
   95    HD2  PRO  16           HD2      PRO  16  -3.479   8.574  -0.789
   96    HD3  PRO  16           HD3      PRO  16  -4.030   9.754   0.486
   97    H    THR  17           H        THR  17  -2.461   6.965   4.895
   98    HA   THR  17           HA       THR  17  -0.647   4.942   4.032
   99    HB   THR  17           HB       THR  17  -1.511   5.596   6.890
  100    HG1  THR  17           HG1      THR  17   0.390   6.968   6.680
  101   HG21  THR  17          HG21      THR  17   0.670   3.967   5.585
  102   HG22  THR  17          HG22      THR  17   0.042   3.920   7.257
  103   HG23  THR  17          HG23      THR  17   1.297   5.129   6.803
  104    H    VAL  18           H        VAL  18  -3.571   4.389   3.637
  105    HA   VAL  18           HA       VAL  18  -3.711   1.782   5.026
  106    HB   VAL  18           HB       VAL  18  -6.271   3.386   4.511
  107   HG11  VAL  18          HG11      VAL  18  -5.498   0.696   5.631
  108   HG12  VAL  18          HG12      VAL  18  -7.110   1.287   5.107
  109   HG13  VAL  18          HG13      VAL  18  -6.525   1.648   6.756
  110   HG21  VAL  18          HG21      VAL  18  -5.177   4.871   5.986
  111   HG22  VAL  18          HG22      VAL  18  -4.391   3.533   6.913
  112   HG23  VAL  18          HG23      VAL  18  -6.154   3.817   7.073
  113    H    CYS  19           H        CYS  19  -6.087   0.973   3.528
  114    HA   CYS  19           HA       CYS  19  -5.184   1.346   0.733
  115    HB2  CYS  19           HB2      CYS  19  -5.807  -1.319   2.008
  116    HB3  CYS  19           HB3      CYS  19  -5.048  -0.946   0.423
  117    H    ALA  20           H        ALA  20  -6.988   0.950  -0.827
  118    HA   ALA  20           HA       ALA  20  -9.461   1.891  -0.355
  119    HB1  ALA  20           HB1      ALA  20  -9.956   1.149  -2.485
  120    HB2  ALA  20           HB2      ALA  20  -9.389  -0.540  -2.158
  121    HB3  ALA  20           HB3      ALA  20  -8.206   0.743  -2.438
  122    H    SER  21           H        SER  21 -11.643   1.186   0.271
  123    HA   SER  21           HA       SER  21 -12.860   0.076   1.820
  124    HB2  SER  21           HB2      SER  21 -12.605  -1.892  -0.502
  125    HB3  SER  21           HB3      SER  21 -14.044  -1.678   0.596
  126    HG   SER  21           HG       SER  21 -14.015  -0.505  -1.515
  127    H    GLY  22           H        GLY  22 -12.420  -3.195   1.068
  128    HA2  GLY  22           HA2      GLY  22 -11.179  -3.759   3.659
  129    HA3  GLY  22           HA3      GLY  22 -11.960  -4.887   2.504
  130    H    THR  23           H        THR  23  -9.248  -2.610   1.889
  131    HA   THR  23           HA       THR  23  -7.608  -5.015   1.314
  132    HB   THR  23           HB       THR  23  -5.966  -3.616   0.120
  133    HG1  THR  23           HG1      THR  23  -8.030  -1.768   0.502
  134   HG21  THR  23          HG21      THR  23  -8.172  -3.033  -1.710
  135   HG22  THR  23          HG22      THR  23  -8.570  -4.558  -0.827
  136   HG23  THR  23          HG23      THR  23  -7.011  -4.394  -1.698
  137    H    THR  24           H        THR  24  -5.749  -5.406   2.389
  138    HA   THR  24           HA       THR  24  -5.232  -3.857   4.854
  139    HB   THR  24           HB       THR  24  -3.881  -6.506   4.042
  140    HG1  THR  24           HG1      THR  24  -6.459  -6.087   4.989
  141   HG21  THR  24          HG21      THR  24  -2.887  -5.552   6.084
  142   HG22  THR  24          HG22      THR  24  -4.085  -6.753   6.661
  143   HG23  THR  24          HG23      THR  24  -4.508  -5.003   6.683
  144    H    CYS  25           H        CYS  25  -2.799  -3.522   5.475
  145    HA   CYS  25           HA       CYS  25  -1.191  -2.930   3.053
  146    HB2  CYS  25           HB2      CYS  25  -1.759  -0.903   4.390
  147    HB3  CYS  25           HB3      CYS  25  -1.197  -1.700   5.877
  148    H    GLN  26           H        GLN  26   0.475  -4.365   2.719
  149    HA   GLN  26           HA       GLN  26   1.757  -5.515   5.120
  150    HB2  GLN  26           HB2      GLN  26   1.262  -7.018   2.512
  151    HB3  GLN  26           HB3      GLN  26   2.165  -7.627   3.935
  152    HG2  GLN  26           HG2      GLN  26   0.087  -7.470   5.362
  153    HG3  GLN  26           HG3      GLN  26  -0.837  -6.860   3.944
  154   HE21  GLN  26          HE21      GLN  26  -2.295  -8.629   3.840
  155   HE22  GLN  26          HE22      GLN  26  -1.755 -10.229   3.398
  156    H    VAL  27           H        VAL  27   3.935  -5.592   5.160
  157    HA   VAL  27           HA       VAL  27   5.271  -3.885   3.371
  158    HB   VAL  27           HB       VAL  27   6.361  -5.624   5.596
  159   HG11  VAL  27          HG11      VAL  27   8.286  -5.234   4.265
  160   HG12  VAL  27          HG12      VAL  27   8.306  -3.826   5.382
  161   HG13  VAL  27          HG13      VAL  27   7.730  -3.615   3.696
  162   HG21  VAL  27          HG21      VAL  27   6.529  -3.179   6.618
  163   HG22  VAL  27          HG22      VAL  27   4.923  -3.987   6.590
  164   HG23  VAL  27          HG23      VAL  27   5.315  -2.732   5.370
  165    H    LEU  28           H        LEU  28   6.728  -4.134   1.759
  166    HA   LEU  28           HA       LEU  28   6.882  -6.880   0.692
  167    HB2  LEU  28           HB2      LEU  28   6.142  -4.417  -0.522
  168    HB3  LEU  28           HB3      LEU  28   7.813  -4.603  -1.070
  169    HG   LEU  28           HG       LEU  28   6.711  -5.624  -2.771
  170   HD11  LEU  28          HD11      LEU  28   8.259  -7.354  -1.422
  171   HD12  LEU  28          HD12      LEU  28   7.250  -7.898  -2.806
  172   HD13  LEU  28          HD13      LEU  28   6.688  -8.181  -1.118
  173   HD21  LEU  28          HD21      LEU  28   4.627  -6.979  -2.506
  174   HD22  LEU  28          HD22      LEU  28   4.447  -5.329  -1.800
  175   HD23  LEU  28          HD23      LEU  28   4.698  -6.749  -0.719
  176    H    ASN  29           H        ASN  29   8.843  -3.911   0.637
  177    HA   ASN  29           HA       ASN  29  11.236  -5.454   1.359
  178    HB2  ASN  29           HB2      ASN  29  12.051  -3.450  -0.648
  179    HB3  ASN  29           HB3      ASN  29  12.293  -5.222  -0.633
  180   HD21  ASN  29          HD21      ASN  29  11.037  -2.726  -2.466
  181   HD22  ASN  29          HD22      ASN  29   9.937  -3.698  -3.419
  182    HA   PRO  30           HA       PRO  30  11.860  -1.849   3.794
  183    HB2  PRO  30           HB2      PRO  30  14.716  -1.277   3.100
  184    HB3  PRO  30           HB3      PRO  30  14.074  -2.086   4.568
  185    HG2  PRO  30           HG2      PRO  30  15.553  -3.373   2.500
  186    HG3  PRO  30           HG3      PRO  30  14.495  -4.202   3.713
  187    HD2  PRO  30           HD2      PRO  30  13.885  -3.473   0.827
  188    HD3  PRO  30           HD3      PRO  30  13.339  -4.909   1.810
  189    H    TYR  31           H        TYR  31  11.494  -1.480   0.720
  190    HA   TYR  31           HA       TYR  31  11.727   1.426   0.740
  191    HB2  TYR  31           HB2      TYR  31  13.028  -0.508  -1.231
  192    HB3  TYR  31           HB3      TYR  31  12.321   0.990  -1.931
  193    HD1  TYR  31           HD2      TYR  31  15.019  -0.293   0.350
  194    HD2  TYR  31           HD1      TYR  31  13.128   3.114  -1.403
  195    HE1  TYR  31           HE2      TYR  31  16.907   1.143   1.084
  196    HE2  TYR  31           HE1      TYR  31  14.984   4.568  -0.631
  197    HH   TYR  31           HH       TYR  31  17.630   3.307   1.342
  198    H    TYR  32           H        TYR  32   9.596  -1.166   0.530
  199    HA   TYR  32           HA       TYR  32   7.612   0.439  -0.710
  200    HB2  TYR  32           HB2      TYR  32   8.706  -0.309  -2.843
  201    HB3  TYR  32           HB3      TYR  32   8.686  -1.992  -2.222
  202    HD1  TYR  32           HD2      TYR  32   6.464   0.775  -3.320
  203    HD2  TYR  32           HD1      TYR  32   6.904  -3.420  -2.695
  204    HE1  TYR  32           HE2      TYR  32   4.169   0.410  -4.216
  205    HE2  TYR  32           HE1      TYR  32   4.659  -3.815  -3.657
  206    HH   TYR  32           HH       TYR  32   2.341  -1.366  -4.019
  207    H    SER  33           H        SER  33   5.519  -0.265  -0.200
  208    HA   SER  33           HA       SER  33   5.128  -2.967   0.784
  209    HB2  SER  33           HB2      SER  33   4.285  -0.509   2.435
  210    HB3  SER  33           HB3      SER  33   3.833  -2.205   2.796
  211    HG   SER  33           HG       SER  33   5.665  -1.501   4.006
  212    H    GLN  34           H        GLN  34   2.972  -3.649   0.417
  213    HA   GLN  34           HA       GLN  34   1.407  -1.714  -1.154
  214    HB2  GLN  34           HB2      GLN  34   1.121  -3.181  -2.949
  215    HB3  GLN  34           HB3      GLN  34   2.797  -3.571  -2.459
  216    HG2  GLN  34           HG2      GLN  34   1.969  -5.601  -1.198
  217    HG3  GLN  34           HG3      GLN  34   0.295  -5.238  -1.727
  218   HE21  GLN  34          HE21      GLN  34   0.173  -4.804  -4.277
  219   HE22  GLN  34          HE22      GLN  34   0.940  -6.102  -5.172
  220    H    CYS  35           H        CYS  35  -0.797  -2.678  -1.635
  221    HA   CYS  35           HA       CYS  35  -1.797  -3.837   0.868
  222    HB2  CYS  35           HB2      CYS  35  -3.175  -1.984  -1.169
  223    HB3  CYS  35           HB3      CYS  35  -3.928  -2.644   0.332
  224    H    LEU  36           H        LEU  36  -3.641  -5.180   1.006
  225    HA   LEU  36           HA       LEU  36  -4.266  -6.590  -1.489
  226    HB2  LEU  36           HB2      LEU  36  -3.908  -8.107   1.127
  227    HB3  LEU  36           HB3      LEU  36  -4.025  -8.715  -0.549
  228    HG   LEU  36           HG       LEU  36  -1.825  -9.053   0.260
  229   HD11  LEU  36          HD11      LEU  36  -1.097  -6.637  -1.365
  230   HD12  LEU  36          HD12      LEU  36  -2.300  -7.709  -2.125
  231   HD13  LEU  36          HD13      LEU  36  -0.681  -8.359  -1.635
  232   HD21  LEU  36          HD21      LEU  36  -1.079  -6.147   0.753
  233   HD22  LEU  36          HD22      LEU  36  -0.533  -7.656   1.540
  234   HD23  LEU  36          HD23      LEU  36  -2.146  -6.944   1.949
  235    H1   MAN 101           H1       MAN  37  -7.947   2.315   3.301
  236    H2   MAN 101           H2       MAN  37  -9.898   2.641   1.705
  237    H3   MAN 101           H3       MAN  37 -10.313   4.950   2.854
  238    H4   MAN 101           H4       MAN  37 -11.666   3.247   4.932
  239    H5   MAN 101           H5       MAN  37  -9.306   5.229   4.999
  240    H61  MAN 101           H61      MAN  37 -10.289   3.155   7.048
  241    H62  MAN 101           H62      MAN  37 -10.584   4.931   7.128
  242    HO2  MAN 101           HO2      MAN  37 -10.453   0.799   2.862
  243    HO3  MAN 101           HO3      MAN  37 -12.559   3.294   2.429
  244    HO4  MAN 101           HO4      MAN  37 -12.776   5.207   4.447
  245    HO6  MAN 101           HO6      MAN  37  -7.922   4.426   6.764
  246    H1   MAN 102           H1       MAN  38  -6.427   2.425  -8.259
  247    H2   MAN 102           H2       MAN  38  -4.917   0.418  -8.194
  248    H3   MAN 102           H3       MAN  38  -3.568   1.289  -6.283
  249    H4   MAN 102           H4       MAN  38  -2.277   3.089  -8.384
  250    H5   MAN 102           H5       MAN  38  -3.961   3.776  -5.918
  251    H61  MAN 102           H61      MAN  38  -3.062   5.545  -8.254
  252    H62  MAN 102           H62      MAN  38  -2.294   5.501  -6.628
  253    HO2  MAN 102           HO2      MAN  38  -4.964   1.596 -10.162
  254    HO3  MAN 102           HO3      MAN  38  -2.453  -0.362  -7.213
  255    HO4  MAN 102           HO4      MAN  38  -1.116   2.126  -6.476
  256    HO6  MAN 102           HO6      MAN  38  -5.031   6.121  -7.199
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1 -10.016   6.376   0.993
    2    H2   THR   1           H2       THR   1 -10.019   4.715   0.645
    3    H3   THR   1           H3       THR   1  -9.857   5.852  -0.622
    4    HA   THR   1           HA       THR   1  -7.796   6.602   0.846
    5    HB   THR   1           HB       THR   1  -7.908   3.546   1.119
    6   HG21  THR   1          HG21      THR   1  -5.658   5.416   1.033
    7   HG22  THR   1          HG22      THR   1  -5.638   3.652   1.165
    8   HG23  THR   1          HG23      THR   1  -5.742   4.660   2.653
    9    H    GLN   2           H        GLN   2  -6.152   4.142  -0.627
   10    HA   GLN   2           HA       GLN   2  -6.410   5.423  -3.216
   11    HB2  GLN   2           HB2      GLN   2  -4.287   4.159  -3.644
   12    HB3  GLN   2           HB3      GLN   2  -4.227   5.234  -2.240
   13    HG2  GLN   2           HG2      GLN   2  -4.574   3.199  -0.648
   14    HG3  GLN   2           HG3      GLN   2  -4.501   2.130  -2.080
   15   HE21  GLN   2          HE21      GLN   2  -2.530   3.944   0.183
   16   HE22  GLN   2          HE22      GLN   2  -1.053   3.597  -0.674
   17    H    SER   3           H        SER   3  -5.258   2.494  -3.903
   18    HA   SER   3           HA       SER   3  -7.866   1.282  -4.520
   19    HB2  SER   3           HB2      SER   3  -5.643   0.270  -6.169
   20    HB3  SER   3           HB3      SER   3  -7.183   1.107  -6.683
   21    H    HIS   4           H        HIS   4  -7.315  -1.176  -5.195
   22    HA   HIS   4           HA       HIS   4  -6.144  -2.494  -2.848
   23    HB2  HIS   4           HB2      HIS   4  -8.416  -3.218  -3.800
   24    HB3  HIS   4           HB3      HIS   4  -7.597  -3.598  -5.354
   25    HD1  HIS   4           HD1      HIS   4  -8.919  -5.947  -4.521
   26    HD2  HIS   4           HD2      HIS   4  -5.499  -4.921  -2.351
   27    HE1  HIS   4           HE1      HIS   4  -8.067  -8.066  -3.393
   28    HE2  HIS   4           HE2      HIS   4  -6.275  -7.161  -1.852
   29    H    TYR   5           H        TYR   5  -4.130  -3.683  -3.065
   30    HA   TYR   5           HA       TYR   5  -2.273  -4.365  -3.857
   31    HB2  TYR   5           HB2      TYR   5  -3.341  -4.202  -6.704
   32    HB3  TYR   5           HB3      TYR   5  -1.840  -5.023  -6.159
   33    HD1  TYR   5           HD1      TYR   5  -2.016  -6.942  -4.460
   34    HD2  TYR   5           HD2      TYR   5  -5.409  -5.326  -6.536
   35    HE1  TYR   5           HE1      TYR   5  -3.301  -9.006  -3.968
   36    HE2  TYR   5           HE2      TYR   5  -6.666  -7.422  -6.109
   37    HH   TYR   5           HH       TYR   5  -6.319  -9.753  -5.465
   38    H    GLY   6           H        GLY   6  -3.252  -1.402  -3.884
   39    HA2  GLY   6           HA2      GLY   6  -1.196  -0.062  -5.399
   40    HA3  GLY   6           HA3      GLY   6  -2.343   0.652  -4.197
   41    H    GLN   7           H        GLN   7   0.151   1.646  -4.138
   42    HA   GLN   7           HA       GLN   7   1.706   0.036  -2.230
   43    HB2  GLN   7           HB2      GLN   7   2.696   1.097  -4.330
   44    HB3  GLN   7           HB3      GLN   7   2.379   2.697  -3.612
   45    HG2  GLN   7           HG2      GLN   7   3.899   2.107  -1.654
   46    HG3  GLN   7           HG3      GLN   7   4.143   0.472  -2.374
   47   HE21  GLN   7          HE21      GLN   7   6.140   2.676  -1.859
   48   HE22  GLN   7          HE22      GLN   7   6.925   2.836  -3.409
   49    H    CYS   8           H        CYS   8   1.633   0.642   0.037
   50    HA   CYS   8           HA       CYS   8   0.478   3.358   0.583
   51    HB2  CYS   8           HB2      CYS   8  -0.740   2.522   2.445
   52    HB3  CYS   8           HB3      CYS   8  -1.117   1.521   1.027
   53    H    GLY   9           H        GLY   9   3.309   1.680   0.799
   54    HA2  GLY   9           HA2      GLY   9   4.320   3.471   2.862
   55    HA3  GLY   9           HA3      GLY   9   4.084   1.763   3.391
   56    H    GLY  10           H        GLY  10   5.473   3.396   0.503
   57    HA2  GLY  10           HA2      GLY  10   7.962   1.827   1.060
   58    HA3  GLY  10           HA3      GLY  10   7.348   2.072  -0.603
   59    H    ILE  11           H        ILE  11   9.834   3.045   0.630
   60    HA   ILE  11           HA       ILE  11   9.930   5.700   1.138
   61    HB   ILE  11           HB       ILE  11  11.643   3.790  -0.457
   62   HG12  ILE  11          HG12      ILE  11  11.280   3.765   2.180
   63   HG13  ILE  11          HG13      ILE  11  12.905   3.530   1.496
   64   HG21  ILE  11          HG21      ILE  11  12.268   6.771   0.037
   65   HG22  ILE  11          HG22      ILE  11  12.263   5.885  -1.528
   66   HG23  ILE  11          HG23      ILE  11  13.538   5.541  -0.316
   67   HD11  ILE  11          HD11      ILE  11  13.588   5.819   2.010
   68   HD12  ILE  11          HD12      ILE  11  12.832   5.123   3.481
   69   HD13  ILE  11          HD13      ILE  11  11.905   6.284   2.459
   70    H    GLY  12           H        GLY  12   9.311   4.301  -2.042
   71    HA2  GLY  12           HA2      GLY  12   9.195   6.966  -3.304
   72    HA3  GLY  12           HA3      GLY  12   9.055   5.364  -4.096
   73    H    TYR  13           H        TYR  13   7.089   6.197  -1.237
   74    HA   TYR  13           HA       TYR  13   4.816   6.687  -3.049
   75    HB2  TYR  13           HB2      TYR  13   4.745   4.320  -2.227
   76    HB3  TYR  13           HB3      TYR  13   4.718   4.910  -0.522
   77    HD1  TYR  13           HD1      TYR  13   3.047   5.107  -3.867
   78    HD2  TYR  13           HD2      TYR  13   2.579   5.503   0.394
   79    HE1  TYR  13           HE1      TYR  13   0.602   5.439  -4.167
   80    HE2  TYR  13           HE2      TYR  13   0.148   5.815   0.051
   81    HH   TYR  13           HH       TYR  13  -1.384   4.934  -2.633
   82    H    SER  14           H        SER  14   4.030   8.629  -2.688
   83    HA   SER  14           HA       SER  14   4.124   9.775   0.038
   84    HB2  SER  14           HB2      SER  14   3.917  11.180  -2.699
   85    HB3  SER  14           HB3      SER  14   3.983  12.018  -1.100
   86    HG   SER  14           HG       SER  14   6.074  11.544  -0.937
   87    H    GLY  15           H        GLY  15   2.018   7.990  -0.503
   88    HA2  GLY  15           HA2      GLY  15  -0.308   9.834  -0.790
   89    HA3  GLY  15           HA3      GLY  15  -0.230   8.146  -1.366
   90    HA   PRO  16           HA       PRO  16  -2.199   8.112   2.797
   91    HB2  PRO  16           HB2      PRO  16  -3.760   5.778   1.936
   92    HB3  PRO  16           HB3      PRO  16  -4.357   7.465   2.192
   93    HG2  PRO  16           HG2      PRO  16  -3.390   6.059  -0.341
   94    HG3  PRO  16           HG3      PRO  16  -4.719   7.286  -0.197
   95    HD2  PRO  16           HD2      PRO  16  -2.286   7.900  -1.225
   96    HD3  PRO  16           HD3      PRO  16  -3.091   9.094  -0.113
   97    H    THR  17           H        THR  17  -2.588   6.221   4.411
   98    HA   THR  17           HA       THR  17  -0.336   4.292   4.161
   99    HB   THR  17           HB       THR  17  -0.316   4.526   6.771
  100    HG1  THR  17           HG1      THR  17  -1.473   6.979   5.963
  101   HG21  THR  17          HG21      THR  17   1.577   5.377   5.681
  102   HG22  THR  17          HG22      THR  17   0.908   6.899   6.372
  103   HG23  THR  17          HG23      THR  17   0.665   6.498   4.632
  104    H    VAL  18           H        VAL  18  -3.384   4.332   3.733
  105    HA   VAL  18           HA       VAL  18  -3.907   1.800   5.130
  106    HB   VAL  18           HB       VAL  18  -6.220   3.713   4.514
  107   HG11  VAL  18          HG11      VAL  18  -6.988   2.306   6.717
  108   HG12  VAL  18          HG12      VAL  18  -5.752   1.146   6.119
  109   HG13  VAL  18          HG13      VAL  18  -7.155   1.611   5.094
  110   HG21  VAL  18          HG21      VAL  18  -4.247   4.365   6.596
  111   HG22  VAL  18          HG22      VAL  18  -5.821   3.941   7.301
  112   HG23  VAL  18          HG23      VAL  18  -5.736   5.214   6.048
  113    H    CYS  19           H        CYS  19  -6.255   1.239   3.596
  114    HA   CYS  19           HA       CYS  19  -5.311   1.523   0.798
  115    HB2  CYS  19           HB2      CYS  19  -6.126  -0.998   2.264
  116    HB3  CYS  19           HB3      CYS  19  -5.458  -0.841   0.594
  117    H    ALA  20           H        ALA  20  -7.092   1.147  -0.803
  118    HA   ALA  20           HA       ALA  20  -9.529   2.235  -0.319
  119    HB1  ALA  20           HB1      ALA  20  -8.237   1.128  -2.416
  120    HB2  ALA  20           HB2      ALA  20  -9.941   1.682  -2.504
  121    HB3  ALA  20           HB3      ALA  20  -9.537  -0.064  -2.266
  122    H    SER  21           H        SER  21 -11.347   1.767   0.991
  123    HA   SER  21           HA       SER  21 -12.831   0.611   2.104
  124    HB2  SER  21           HB2      SER  21 -12.665  -1.606  -0.003
  125    HB3  SER  21           HB3      SER  21 -14.103  -1.069   0.969
  126    HG   SER  21           HG       SER  21 -13.257  -0.236  -1.405
  127    H    GLY  22           H        GLY  22 -12.750  -2.644   1.756
  128    HA2  GLY  22           HA2      GLY  22 -11.334  -3.039   4.262
  129    HA3  GLY  22           HA3      GLY  22 -12.231  -4.234   3.266
  130    H    THR  23           H        THR  23  -9.436  -2.212   2.429
  131    HA   THR  23           HA       THR  23  -7.968  -4.719   1.769
  132    HB   THR  23           HB       THR  23  -6.380  -3.315   0.433
  133    HG1  THR  23           HG1      THR  23  -8.549  -1.545   0.803
  134   HG21  THR  23          HG21      THR  23  -8.811  -4.458  -0.429
  135   HG22  THR  23          HG22      THR  23  -7.518  -3.749  -1.458
  136   HG23  THR  23          HG23      THR  23  -8.964  -2.779  -1.057
  137    H    THR  24           H        THR  24  -5.945  -5.087   2.689
  138    HA   THR  24           HA       THR  24  -5.270  -3.418   5.063
  139    HB   THR  24           HB       THR  24  -5.638  -5.706   5.698
  140    HG1  THR  24           HG1      THR  24  -3.583  -4.863   6.506
  141   HG21  THR  24          HG21      THR  24  -3.864  -7.382   4.309
  142   HG22  THR  24          HG22      THR  24  -4.325  -6.222   3.035
  143   HG23  THR  24          HG23      THR  24  -5.595  -7.133   3.909
  144    H    CYS  25           H        CYS  25  -2.908  -2.970   5.590
  145    HA   CYS  25           HA       CYS  25  -1.285  -2.540   3.164
  146    HB2  CYS  25           HB2      CYS  25  -1.474  -1.337   5.960
  147    HB3  CYS  25           HB3      CYS  25   0.148  -1.336   5.221
  148    H    GLN  26           H        GLN  26   0.140  -4.252   2.735
  149    HA   GLN  26           HA       GLN  26   1.559  -5.365   5.087
  150    HB2  GLN  26           HB2      GLN  26   0.911  -6.901   2.551
  151    HB3  GLN  26           HB3      GLN  26   1.826  -7.521   3.942
  152    HG2  GLN  26           HG2      GLN  26  -0.149  -7.306   5.458
  153    HG3  GLN  26           HG3      GLN  26  -1.154  -6.676   4.120
  154   HE21  GLN  26          HE21      GLN  26  -2.465  -8.274   3.259
  155   HE22  GLN  26          HE22      GLN  26  -2.058  -9.971   3.198
  156    H    VAL  27           H        VAL  27   3.760  -6.007   4.741
  157    HA   VAL  27           HA       VAL  27   5.048  -4.220   2.794
  158    HB   VAL  27           HB       VAL  27   6.013  -5.317   5.457
  159   HG11  VAL  27          HG11      VAL  27   8.009  -5.242   4.149
  160   HG12  VAL  27          HG12      VAL  27   7.968  -3.607   4.894
  161   HG13  VAL  27          HG13      VAL  27   7.472  -3.816   3.184
  162   HG21  VAL  27          HG21      VAL  27   6.094  -2.439   5.275
  163   HG22  VAL  27          HG22      VAL  27   4.984  -3.437   6.278
  164   HG23  VAL  27          HG23      VAL  27   4.498  -2.917   4.635
  165    H    LEU  28           H        LEU  28   6.489  -4.894   1.378
  166    HA   LEU  28           HA       LEU  28   6.924  -7.796   1.083
  167    HB2  LEU  28           HB2      LEU  28   7.338  -5.705  -1.148
  168    HB3  LEU  28           HB3      LEU  28   7.104  -7.464  -1.269
  169    HG   LEU  28           HG       LEU  28   5.220  -6.304  -2.174
  170   HD11  LEU  28          HD11      LEU  28   4.782  -8.407  -0.770
  171   HD12  LEU  28          HD12      LEU  28   3.358  -7.321  -1.011
  172   HD13  LEU  28          HD13      LEU  28   4.235  -7.326   0.563
  173   HD21  LEU  28          HD21      LEU  28   4.013  -4.536  -1.271
  174   HD22  LEU  28          HD22      LEU  28   5.609  -4.227  -0.507
  175   HD23  LEU  28          HD23      LEU  28   4.297  -5.034   0.422
  176    H    ASN  29           H        ASN  29   8.405  -4.572   0.449
  177    HA   ASN  29           HA       ASN  29  11.024  -5.733   1.133
  178    HB2  ASN  29           HB2      ASN  29  10.847  -3.502  -0.966
  179    HB3  ASN  29           HB3      ASN  29  12.105  -4.771  -0.725
  180   HD21  ASN  29          HD21      ASN  29  10.056  -3.821  -3.034
  181   HD22  ASN  29          HD22      ASN  29   9.496  -5.372  -3.608
  182    HA   PRO  30           HA       PRO  30  11.079  -2.207   3.817
  183    HB2  PRO  30           HB2      PRO  30  13.948  -1.538   2.938
  184    HB3  PRO  30           HB3      PRO  30  13.331  -1.830   4.606
  185    HG2  PRO  30           HG2      PRO  30  14.805  -3.730   3.211
  186    HG3  PRO  30           HG3      PRO  30  13.475  -4.194   4.349
  187    HD2  PRO  30           HD2      PRO  30  13.435  -4.157   1.304
  188    HD3  PRO  30           HD3      PRO  30  12.582  -5.249   2.491
  189    H    TYR  31           H        TYR  31  11.881  -1.752   0.544
  190    HA   TYR  31           HA       TYR  31  11.403   1.156   0.623
  191    HB2  TYR  31           HB2      TYR  31  12.741  -0.715  -1.434
  192    HB3  TYR  31           HB3      TYR  31  12.339   1.000  -1.808
  193    HD1  TYR  31           HD2      TYR  31  14.421  -1.207   0.427
  194    HD2  TYR  31           HD1      TYR  31  13.583   2.795  -0.895
  195    HE1  TYR  31           HE2      TYR  31  16.412  -0.374   1.650
  196    HE2  TYR  31           HE1      TYR  31  15.549   3.620   0.344
  197    HH   TYR  31           HH       TYR  31  17.189   3.090   1.813
  198    H    TYR  32           H        TYR  32   9.405  -1.465   0.469
  199    HA   TYR  32           HA       TYR  32   7.509  -0.044  -1.183
  200    HB2  TYR  32           HB2      TYR  32   8.796  -1.283  -2.943
  201    HB3  TYR  32           HB3      TYR  32   8.539  -2.805  -2.010
  202    HD1  TYR  32           HD2      TYR  32   6.719  -0.075  -3.839
  203    HD2  TYR  32           HD1      TYR  32   6.654  -4.127  -2.474
  204    HE1  TYR  32           HE2      TYR  32   4.498  -0.414  -4.925
  205    HE2  TYR  32           HE1      TYR  32   4.446  -4.463  -3.554
  206    HH   TYR  32           HH       TYR  32   2.463  -1.920  -4.512
  207    H    SER  33           H        SER  33   5.408  -0.332  -0.399
  208    HA   SER  33           HA       SER  33   4.783  -2.877   0.915
  209    HB2  SER  33           HB2      SER  33   4.092  -0.230   2.261
  210    HB3  SER  33           HB3      SER  33   3.632  -1.869   2.810
  211    HG   SER  33           HG       SER  33   6.260  -1.907   2.446
  212    H    GLN  34           H        GLN  34   2.595  -3.472   0.578
  213    HA   GLN  34           HA       GLN  34   1.115  -1.605  -1.113
  214    HB2  GLN  34           HB2      GLN  34   0.964  -2.991  -2.955
  215    HB3  GLN  34           HB3      GLN  34   2.548  -3.550  -2.358
  216    HG2  GLN  34           HG2      GLN  34   1.344  -5.504  -1.173
  217    HG3  GLN  34           HG3      GLN  34  -0.192  -4.945  -1.923
  218   HE21  GLN  34          HE21      GLN  34   0.037  -4.552  -4.455
  219   HE22  GLN  34          HE22      GLN  34   0.709  -5.963  -5.228
  220    H    CYS  35           H        CYS  35  -1.101  -2.440  -1.542
  221    HA   CYS  35           HA       CYS  35  -2.095  -3.510   0.976
  222    HB2  CYS  35           HB2      CYS  35  -3.465  -1.808  -1.186
  223    HB3  CYS  35           HB3      CYS  35  -4.246  -2.402   0.325
  224    H    LEU  36           H        LEU  36  -3.862  -4.900   1.241
  225    HA   LEU  36           HA       LEU  36  -4.599  -6.417  -1.161
  226    HB2  LEU  36           HB2      LEU  36  -4.124  -7.867   1.451
  227    HB3  LEU  36           HB3      LEU  36  -4.317  -8.505  -0.203
  228    HG   LEU  36           HG       LEU  36  -2.064  -8.788   0.512
  229   HD11  LEU  36          HD11      LEU  36  -2.687  -7.418  -1.895
  230   HD12  LEU  36          HD12      LEU  36  -1.136  -8.268  -1.513
  231   HD13  LEU  36          HD13      LEU  36  -1.306  -6.511  -1.216
  232   HD21  LEU  36          HD21      LEU  36  -2.318  -6.574   2.101
  233   HD22  LEU  36          HD22      LEU  36  -1.297  -5.869   0.815
  234   HD23  LEU  36          HD23      LEU  36  -0.755  -7.353   1.648
  235    H1   MAN 101           H1       MAN  37  -7.898   2.794   3.358
  236    H2   MAN 101           H2       MAN  37  -9.812   2.974   1.787
  237    H3   MAN 101           H3       MAN  37 -10.371   5.346   2.693
  238    H4   MAN 101           H4       MAN  37 -11.662   3.742   4.905
  239    H5   MAN 101           H5       MAN  37  -9.335   5.762   4.961
  240    H61  MAN 101           H61      MAN  37 -10.359   3.695   6.991
  241    H62  MAN 101           H62      MAN  37 -10.581   5.476   7.102
  242    HO2  MAN 101           HO2      MAN  37 -11.454   1.989   3.269
  243    HO3  MAN 101           HO3      MAN  37 -12.383   5.009   1.783
  244    HO4  MAN 101           HO4      MAN  37 -11.438   6.578   4.762
  245    HO6  MAN 101           HO6      MAN  37  -8.101   5.489   7.088
  246    H1   MAN 102           H1       MAN  38  -6.131   2.533  -8.304
  247    H2   MAN 102           H2       MAN  38  -4.935   0.348  -8.069
  248    H3   MAN 102           H3       MAN  38  -3.417   1.132  -6.259
  249    H4   MAN 102           H4       MAN  38  -2.029   2.634  -8.526
  250    H5   MAN 102           H5       MAN  38  -3.467   3.661  -6.014
  251    H61  MAN 102           H61      MAN  38  -2.343   5.123  -8.472
  252    H62  MAN 102           H62      MAN  38  -1.639   5.144  -6.813
  253    HO2  MAN 102           HO2      MAN  38  -4.069   0.506  -9.979
  254    HO3  MAN 102           HO3      MAN  38  -2.065   0.081  -8.546
  255    HO4  MAN 102           HO4      MAN  38  -0.392   2.731  -7.201
  256    HO6  MAN 102           HO6      MAN  38  -4.248   6.058  -7.562
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -7.224   6.256   3.321
    2    H2   THR   1           H2       THR   1  -8.743   5.593   2.899
    3    H3   THR   1           H3       THR   1  -7.904   6.550   1.769
    4    HA   THR   1           HA       THR   1  -6.255   4.478   2.477
    5    HB   THR   1           HB       THR   1  -7.960   2.538   1.688
    6   HG21  THR   1          HG21      THR   1  -8.923   2.191   3.922
    7   HG22  THR   1          HG22      THR   1  -8.392   3.826   4.465
    8   HG23  THR   1          HG23      THR   1  -7.194   2.577   3.977
    9    H    GLN   2           H        GLN   2  -6.139   2.814   0.264
   10    HA   GLN   2           HA       GLN   2  -6.794   4.465  -2.119
   11    HB2  GLN   2           HB2      GLN   2  -4.817   3.004  -3.185
   12    HB3  GLN   2           HB3      GLN   2  -4.479   4.436  -2.300
   13    HG2  GLN   2           HG2      GLN   2  -4.656   1.765  -0.698
   14    HG3  GLN   2           HG3      GLN   2  -3.263   1.977  -1.798
   15   HE21  GLN   2          HE21      GLN   2  -4.075   5.040  -0.790
   16   HE22  GLN   2          HE22      GLN   2  -2.868   5.136   0.457
   17    H    SER   3           H        SER   3  -5.557   1.157  -2.427
   18    HA   SER   3           HA       SER   3  -8.194   0.214  -3.213
   19    HB2  SER   3           HB2      SER   3  -6.209   0.097  -5.485
   20    HB3  SER   3           HB3      SER   3  -8.015   0.332  -5.549
   21    H    HIS   4           H        HIS   4  -7.568  -1.884  -4.684
   22    HA   HIS   4           HA       HIS   4  -5.925  -3.439  -2.859
   23    HB2  HIS   4           HB2      HIS   4  -8.138  -4.181  -4.048
   24    HB3  HIS   4           HB3      HIS   4  -7.153  -4.373  -5.539
   25    HD1  HIS   4           HD1      HIS   4  -8.517  -6.807  -4.343
   26    HD2  HIS   4           HD2      HIS   4  -4.772  -5.595  -2.892
   27    HE1  HIS   4           HE1      HIS   4  -7.466  -8.810  -3.225
   28    HE2  HIS   4           HE2      HIS   4  -5.504  -7.792  -2.002
   29    H    TYR   5           H        TYR   5  -3.831  -3.856  -3.153
   30    HA   TYR   5           HA       TYR   5  -1.923  -4.234  -3.925
   31    HB2  TYR   5           HB2      TYR   5  -2.903  -4.010  -6.815
   32    HB3  TYR   5           HB3      TYR   5  -1.412  -4.825  -6.236
   33    HD1  TYR   5           HD1      TYR   5  -1.712  -6.830  -4.558
   34    HD2  TYR   5           HD2      TYR   5  -4.899  -5.192  -6.929
   35    HE1  TYR   5           HE1      TYR   5  -2.962  -8.949  -4.337
   36    HE2  TYR   5           HE2      TYR   5  -6.167  -7.313  -6.683
   37    HH   TYR   5           HH       TYR   5  -4.827 -10.107  -4.942
   38    H    GLY   6           H        GLY   6  -3.260  -1.470  -3.786
   39    HA2  GLY   6           HA2      GLY   6  -1.435   0.231  -5.233
   40    HA3  GLY   6           HA3      GLY   6  -2.604   0.703  -3.928
   41    H    GLN   7           H        GLN   7  -0.221   1.998  -3.893
   42    HA   GLN   7           HA       GLN   7   1.558   0.428  -2.197
   43    HB2  GLN   7           HB2      GLN   7   2.394   1.803  -4.049
   44    HB3  GLN   7           HB3      GLN   7   1.723   3.277  -3.292
   45    HG2  GLN   7           HG2      GLN   7   3.266   3.034  -1.339
   46    HG3  GLN   7           HG3      GLN   7   3.785   1.410  -1.917
   47   HE21  GLN   7          HE21      GLN   7   5.968   2.244  -1.974
   48   HE22  GLN   7          HE22      GLN   7   6.472   3.318  -3.284
   49    H    CYS   8           H        CYS   8   1.861   0.817   0.005
   50    HA   CYS   8           HA       CYS   8   0.327   3.076   1.205
   51    HB2  CYS   8           HB2      CYS   8  -0.387   1.672   3.048
   52    HB3  CYS   8           HB3      CYS   8  -0.889   0.987   1.485
   53    H    GLY   9           H        GLY   9   3.377   1.545   0.930
   54    HA2  GLY   9           HA2      GLY   9   4.521   3.306   2.927
   55    HA3  GLY   9           HA3      GLY   9   4.415   1.578   3.433
   56    H    GLY  10           H        GLY  10   5.603   3.579   0.664
   57    HA2  GLY  10           HA2      GLY  10   8.069   1.912   0.812
   58    HA3  GLY  10           HA3      GLY  10   7.335   2.372  -0.762
   59    H    ILE  11           H        ILE  11   9.930   3.149   0.274
   60    HA   ILE  11           HA       ILE  11  10.114   5.723   1.150
   61    HB   ILE  11           HB       ILE  11  11.637   3.991  -0.796
   62   HG12  ILE  11          HG12      ILE  11  11.548   3.803   1.866
   63   HG13  ILE  11          HG13      ILE  11  13.082   3.579   0.996
   64   HG21  ILE  11          HG21      ILE  11  13.534   5.713  -0.785
   65   HG22  ILE  11          HG22      ILE  11  12.359   6.922  -0.146
   66   HG23  ILE  11          HG23      ILE  11  12.112   6.185  -1.767
   67   HD11  ILE  11          HD11      ILE  11  13.887   5.800   1.566
   68   HD12  ILE  11          HD12      ILE  11  13.249   5.061   3.071
   69   HD13  ILE  11          HD13      ILE  11  12.273   6.301   2.195
   70    H    GLY  12           H        GLY  12   9.222   4.732  -2.122
   71    HA2  GLY  12           HA2      GLY  12   8.788   7.566  -2.903
   72    HA3  GLY  12           HA3      GLY  12   8.770   6.112  -3.968
   73    H    TYR  13           H        TYR  13   7.010   7.311  -1.017
   74    HA   TYR  13           HA       TYR  13   4.561   6.842  -2.537
   75    HB2  TYR  13           HB2      TYR  13   5.023   4.768  -1.088
   76    HB3  TYR  13           HB3      TYR  13   5.038   5.840   0.358
   77    HD1  TYR  13           HD1      TYR  13   2.929   5.544  -2.753
   78    HD2  TYR  13           HD2      TYR  13   3.006   5.607   1.560
   79    HE1  TYR  13           HE1      TYR  13   0.472   5.521  -2.710
   80    HE2  TYR  13           HE2      TYR  13   0.523   5.561   1.580
   81    HH   TYR  13           HH       TYR  13  -1.104   4.485  -0.492
   82    H    SER  14           H        SER  14   3.210   8.542  -2.433
   83    HA   SER  14           HA       SER  14   3.347  10.275  -0.036
   84    HB2  SER  14           HB2      SER  14   3.111  11.525  -2.834
   85    HB3  SER  14           HB3      SER  14   3.614  12.262  -1.262
   86    HG   SER  14           HG       SER  14   5.415  11.929  -2.583
   87    H    GLY  15           H        GLY  15   1.362   8.477  -0.083
   88    HA2  GLY  15           HA2      GLY  15  -0.991  10.100  -0.733
   89    HA3  GLY  15           HA3      GLY  15  -0.835   8.424  -1.410
   90    HA   PRO  16           HA       PRO  16  -3.077   8.478   2.706
   91    HB2  PRO  16           HB2      PRO  16  -4.684   6.248   1.545
   92    HB3  PRO  16           HB3      PRO  16  -5.241   7.861   2.124
   93    HG2  PRO  16           HG2      PRO  16  -4.534   6.944  -0.673
   94    HG3  PRO  16           HG3      PRO  16  -5.582   8.316  -0.190
   95    HD2  PRO  16           HD2      PRO  16  -3.049   8.603  -1.261
   96    HD3  PRO  16           HD3      PRO  16  -3.686   9.780  -0.024
   97    H    THR  17           H        THR  17  -2.211   7.391   4.477
   98    HA   THR  17           HA       THR  17  -0.539   5.161   3.880
   99    HB   THR  17           HB       THR  17  -1.130   6.295   6.648
  100    HG1  THR  17           HG1      THR  17   0.684   7.644   6.037
  101   HG21  THR  17          HG21      THR  17   0.374   4.389   6.786
  102   HG22  THR  17          HG22      THR  17   1.489   5.786   6.709
  103   HG23  THR  17          HG23      THR  17   1.188   4.790   5.236
  104    H    VAL  18           H        VAL  18  -3.210   4.367   3.426
  105    HA   VAL  18           HA       VAL  18  -3.572   2.273   5.431
  106    HB   VAL  18           HB       VAL  18  -5.949   4.098   4.803
  107   HG11  VAL  18          HG11      VAL  18  -5.575   2.181   7.213
  108   HG12  VAL  18          HG12      VAL  18  -6.182   1.529   5.656
  109   HG13  VAL  18          HG13      VAL  18  -7.108   2.795   6.512
  110   HG21  VAL  18          HG21      VAL  18  -4.346   5.472   6.151
  111   HG22  VAL  18          HG22      VAL  18  -4.306   4.167   7.390
  112   HG23  VAL  18          HG23      VAL  18  -5.838   5.053   7.060
  113    H    CYS  19           H        CYS  19  -4.610   0.484   4.449
  114    HA   CYS  19           HA       CYS  19  -4.765   0.716   1.540
  115    HB2  CYS  19           HB2      CYS  19  -4.547  -1.510   3.611
  116    HB3  CYS  19           HB3      CYS  19  -4.886  -1.915   1.914
  117    H    ALA  20           H        ALA  20  -6.551  -0.287   0.356
  118    HA   ALA  20           HA       ALA  20  -8.924   0.846   0.580
  119    HB1  ALA  20           HB1      ALA  20  -8.948  -2.055  -0.244
  120    HB2  ALA  20           HB2      ALA  20  -8.025  -0.865  -1.191
  121    HB3  ALA  20           HB3      ALA  20  -9.806  -0.663  -0.980
  122    H    SER  21           H        SER  21 -11.182   0.220   1.274
  123    HA   SER  21           HA       SER  21 -11.113  -0.547   3.976
  124    HB2  SER  21           HB2      SER  21 -12.776   1.022   2.924
  125    HB3  SER  21           HB3      SER  21 -13.559  -0.384   2.122
  126    HG   SER  21           HG       SER  21 -13.726  -1.249   4.363
  127    H    GLY  22           H        GLY  22 -10.661  -2.579   1.555
  128    HA2  GLY  22           HA2      GLY  22 -11.452  -4.957   3.067
  129    HA3  GLY  22           HA3      GLY  22 -11.697  -4.865   1.283
  130    H    THR  23           H        THR  23  -8.817  -3.222   2.327
  131    HA   THR  23           HA       THR  23  -7.225  -5.613   1.640
  132    HB   THR  23           HB       THR  23  -5.653  -4.365   0.262
  133    HG1  THR  23           HG1      THR  23  -6.949  -2.330   1.265
  134   HG21  THR  23          HG21      THR  23  -7.739  -3.443  -1.468
  135   HG22  THR  23          HG22      THR  23  -8.427  -4.868  -0.593
  136   HG23  THR  23          HG23      THR  23  -6.883  -5.018  -1.474
  137    H    THR  24           H        THR  24  -5.089  -5.584   2.476
  138    HA   THR  24           HA       THR  24  -4.829  -3.920   4.920
  139    HB   THR  24           HB       THR  24  -3.072  -6.328   4.820
  140    HG1  THR  24           HG1      THR  24  -5.364  -6.805   3.743
  141   HG21  THR  24          HG21      THR  24  -5.367  -5.360   6.647
  142   HG22  THR  24          HG22      THR  24  -3.612  -4.980   6.893
  143   HG23  THR  24          HG23      THR  24  -4.208  -6.680   7.020
  144    H    CYS  25           H        CYS  25  -2.783  -2.933   5.522
  145    HA   CYS  25           HA       CYS  25  -0.962  -2.565   3.250
  146    HB2  CYS  25           HB2      CYS  25  -1.659  -0.530   4.568
  147    HB3  CYS  25           HB3      CYS  25  -0.981  -1.265   6.040
  148    H    GLN  26           H        GLN  26   0.367  -4.259   2.929
  149    HA   GLN  26           HA       GLN  26   1.893  -5.149   5.313
  150    HB2  GLN  26           HB2      GLN  26   1.282  -6.923   2.913
  151    HB3  GLN  26           HB3      GLN  26   2.055  -7.376   4.457
  152    HG2  GLN  26           HG2      GLN  26  -0.105  -6.936   5.686
  153    HG3  GLN  26           HG3      GLN  26  -0.884  -6.423   4.142
  154   HE21  GLN  26          HE21      GLN  26  -2.501  -8.137   4.396
  155   HE22  GLN  26          HE22      GLN  26  -2.043  -9.779   4.056
  156    H    VAL  27           H        VAL  27   4.029  -5.138   5.184
  157    HA   VAL  27           HA       VAL  27   5.198  -3.684   3.113
  158    HB   VAL  27           HB       VAL  27   6.504  -5.219   5.370
  159   HG11  VAL  27          HG11      VAL  27   7.656  -3.218   3.306
  160   HG12  VAL  27          HG12      VAL  27   8.255  -4.860   3.739
  161   HG13  VAL  27          HG13      VAL  27   8.426  -3.501   4.902
  162   HG21  VAL  27          HG21      VAL  27   6.623  -2.315   5.666
  163   HG22  VAL  27          HG22      VAL  27   5.808  -3.517   6.720
  164   HG23  VAL  27          HG23      VAL  27   4.909  -2.748   5.365
  165    H    LEU  28           H        LEU  28   6.585  -4.073   1.460
  166    HA   LEU  28           HA       LEU  28   6.590  -6.900   0.594
  167    HB2  LEU  28           HB2      LEU  28   5.831  -4.451  -0.760
  168    HB3  LEU  28           HB3      LEU  28   7.335  -4.960  -1.542
  169    HG   LEU  28           HG       LEU  28   5.982  -7.379  -1.345
  170   HD11  LEU  28          HD11      LEU  28   3.904  -5.316  -2.271
  171   HD12  LEU  28          HD12      LEU  28   3.984  -5.849  -0.550
  172   HD13  LEU  28          HD13      LEU  28   3.671  -7.053  -1.851
  173   HD21  LEU  28          HD21      LEU  28   5.701  -5.508  -3.772
  174   HD22  LEU  28          HD22      LEU  28   5.800  -7.298  -3.722
  175   HD23  LEU  28          HD23      LEU  28   7.253  -6.318  -3.325
  176    H    ASN  29           H        ASN  29   8.555  -4.058  -0.099
  177    HA   ASN  29           HA       ASN  29  10.992  -5.663   0.392
  178    HB2  ASN  29           HB2      ASN  29  10.596  -3.398  -1.701
  179    HB3  ASN  29           HB3      ASN  29  12.114  -4.336  -1.433
  180   HD21  ASN  29          HD21      ASN  29   9.390  -4.218  -3.440
  181   HD22  ASN  29          HD22      ASN  29   9.427  -5.899  -3.923
  182    HA   PRO  30           HA       PRO  30  11.796  -2.385   3.217
  183    HB2  PRO  30           HB2      PRO  30  14.618  -1.935   2.080
  184    HB3  PRO  30           HB3      PRO  30  14.151  -2.343   3.771
  185    HG2  PRO  30           HG2      PRO  30  15.256  -4.220   2.056
  186    HG3  PRO  30           HG3      PRO  30  13.969  -4.674   3.247
  187    HD2  PRO  30           HD2      PRO  30  13.694  -4.182   0.247
  188    HD3  PRO  30           HD3      PRO  30  12.870  -5.400   1.324
  189    H    TYR  31           H        TYR  31  11.592  -1.712   0.081
  190    HA   TYR  31           HA       TYR  31  11.594   1.214   0.389
  191    HB2  TYR  31           HB2      TYR  31  12.776  -0.520  -1.875
  192    HB3  TYR  31           HB3      TYR  31  12.261   1.176  -2.195
  193    HD1  TYR  31           HD2      TYR  31  14.560  -0.906  -0.030
  194    HD2  TYR  31           HD1      TYR  31  13.585   2.990  -1.554
  195    HE1  TYR  31           HE2      TYR  31  16.560   0.029   1.079
  196    HE2  TYR  31           HE1      TYR  31  15.610   3.914  -0.471
  197    HH   TYR  31           HH       TYR  31  17.563   1.996   1.749
  198    H    TYR  32           H        TYR  32   9.519  -1.366   0.175
  199    HA   TYR  32           HA       TYR  32   7.551   0.211  -1.192
  200    HB2  TYR  32           HB2      TYR  32   8.720  -0.817  -3.186
  201    HB3  TYR  32           HB3      TYR  32   8.462  -2.449  -2.467
  202    HD1  TYR  32           HD2      TYR  32   6.660   0.621  -3.603
  203    HD2  TYR  32           HD1      TYR  32   6.455  -3.603  -3.019
  204    HE1  TYR  32           HE2      TYR  32   4.341   0.608  -4.523
  205    HE2  TYR  32           HE1      TYR  32   4.184  -3.646  -4.012
  206    HH   TYR  32           HH       TYR  32   2.786  -2.051  -5.608
  207    H    SER  33           H        SER  33   5.451  -0.279  -0.475
  208    HA   SER  33           HA       SER  33   4.936  -2.927   0.629
  209    HB2  SER  33           HB2      SER  33   4.215  -0.367   2.188
  210    HB3  SER  33           HB3      SER  33   3.760  -2.041   2.637
  211    HG   SER  33           HG       SER  33   5.612  -1.371   3.779
  212    H    GLN  34           H        GLN  34   2.726  -3.500   0.348
  213    HA   GLN  34           HA       GLN  34   1.238  -1.491  -1.201
  214    HB2  GLN  34           HB2      GLN  34   0.805  -2.912  -2.978
  215    HB3  GLN  34           HB3      GLN  34   2.497  -3.306  -2.591
  216    HG2  GLN  34           HG2      GLN  34   1.703  -5.363  -1.287
  217    HG3  GLN  34           HG3      GLN  34   0.023  -4.985  -1.730
  218   HE21  GLN  34          HE21      GLN  34   0.285  -4.215  -4.442
  219   HE22  GLN  34          HE22      GLN  34   0.694  -5.698  -5.287
  220    H    CYS  35           H        CYS  35  -0.988  -2.354  -1.642
  221    HA   CYS  35           HA       CYS  35  -2.223  -3.160   0.879
  222    HB2  CYS  35           HB2      CYS  35  -3.233  -1.847  -1.715
  223    HB3  CYS  35           HB3      CYS  35  -4.313  -2.216  -0.337
  224    H    LEU  36           H        LEU  36  -3.102  -5.144   1.242
  225    HA   LEU  36           HA       LEU  36  -3.785  -6.760  -1.141
  226    HB2  LEU  36           HB2      LEU  36  -2.896  -7.720   1.625
  227    HB3  LEU  36           HB3      LEU  36  -3.208  -8.717   0.169
  228    HG   LEU  36           HG       LEU  36  -0.872  -8.601   0.455
  229   HD11  LEU  36          HD11      LEU  36  -0.093  -7.667  -1.671
  230   HD12  LEU  36          HD12      LEU  36  -1.472  -6.514  -1.745
  231   HD13  LEU  36          HD13      LEU  36  -1.777  -8.270  -1.924
  232   HD21  LEU  36          HD21      LEU  36  -1.039  -6.382   1.889
  233   HD22  LEU  36          HD22      LEU  36  -0.685  -5.556   0.347
  234   HD23  LEU  36          HD23      LEU  36   0.481  -6.748   0.980
  235    H1   MAN 101           H1       MAN  37 -10.192   1.984   1.705
  236    H2   MAN 101           H2       MAN  37  -8.824   2.806  -0.213
  237    H3   MAN 101           H3       MAN  37  -9.542   5.172   0.129
  238    H4   MAN 101           H4       MAN  37 -12.086   4.275  -1.234
  239    H5   MAN 101           H5       MAN  37 -11.488   5.327   1.601
  240    H61  MAN 101           H61      MAN  37 -14.025   4.130   0.381
  241    H62  MAN 101           H62      MAN  37 -13.727   5.888   0.677
  242    HO2  MAN 101           HO2      MAN  37 -10.055   2.149  -1.858
  243    HO3  MAN 101           HO3      MAN  37  -8.980   5.651  -1.812
  244    HO4  MAN 101           HO4      MAN  37 -11.943   6.360  -1.751
  245    HO6  MAN 101           HO6      MAN  37 -14.876   4.622   2.422
  246    H1   MAN 102           H1       MAN  38  -7.495   2.118  -7.259
  247    H2   MAN 102           H2       MAN  38  -5.430   0.720  -7.184
  248    H3   MAN 102           H3       MAN  38  -4.512   1.886  -5.165
  249    H4   MAN 102           H4       MAN  38  -3.831   4.078  -7.182
  250    H5   MAN 102           H5       MAN  38  -5.720   4.111  -4.762
  251    H61  MAN 102           H61      MAN  38  -5.360   6.166  -7.001
  252    H62  MAN 102           H62      MAN  38  -4.645   6.314  -5.357
  253    HO2  MAN 102           HO2      MAN  38  -4.610   1.518  -8.971
  254    HO3  MAN 102           HO3      MAN  38  -2.804   1.708  -7.432
  255    HO4  MAN 102           HO4      MAN  38  -3.399   4.244  -4.361
  256    HO6  MAN 102           HO6      MAN  38  -7.430   5.990  -5.935
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -7.984   6.346   3.284
    2    H2   THR   1           H2       THR   1  -9.368   5.470   2.781
    3    H3   THR   1           H3       THR   1  -8.389   6.237   1.616
    4    HA   THR   1           HA       THR   1  -6.792   4.424   3.003
    5    HB   THR   1           HB       THR   1  -8.373   2.352   2.066
    6   HG21  THR   1          HG21      THR   1  -8.768   3.636   4.849
    7   HG22  THR   1          HG22      THR   1  -7.548   2.416   4.337
    8   HG23  THR   1          HG23      THR   1  -9.265   1.981   4.320
    9    H    GLN   2           H        GLN   2  -6.050   2.668   1.293
   10    HA   GLN   2           HA       GLN   2  -5.640   3.948  -1.256
   11    HB2  GLN   2           HB2      GLN   2  -3.939   2.607   0.412
   12    HB3  GLN   2           HB3      GLN   2  -4.715   1.172  -0.274
   13    HG2  GLN   2           HG2      GLN   2  -2.579   1.575  -1.432
   14    HG3  GLN   2           HG3      GLN   2  -3.875   1.860  -2.617
   15   HE21  GLN   2          HE21      GLN   2  -3.430   4.258  -0.148
   16   HE22  GLN   2          HE22      GLN   2  -2.522   5.362  -1.068
   17    H    SER   3           H        SER   3  -5.696   2.416  -3.230
   18    HA   SER   3           HA       SER   3  -8.035   0.739  -3.265
   19    HB2  SER   3           HB2      SER   3  -6.066   0.564  -5.521
   20    HB3  SER   3           HB3      SER   3  -7.852   0.973  -5.556
   21    H    HIS   4           H        HIS   4  -7.553  -1.438  -4.684
   22    HA   HIS   4           HA       HIS   4  -5.860  -3.077  -2.989
   23    HB2  HIS   4           HB2      HIS   4  -8.109  -3.842  -4.023
   24    HB3  HIS   4           HB3      HIS   4  -7.269  -3.889  -5.613
   25    HD1  HIS   4           HD1      HIS   4  -8.297  -6.513  -4.945
   26    HD2  HIS   4           HD2      HIS   4  -4.855  -5.246  -2.918
   27    HE1  HIS   4           HE1      HIS   4  -7.132  -8.582  -4.086
   28    HE2  HIS   4           HE2      HIS   4  -5.434  -7.577  -2.466
   29    H    TYR   5           H        TYR   5  -3.783  -3.620  -3.406
   30    HA   TYR   5           HA       TYR   5  -1.935  -4.047  -4.299
   31    HB2  TYR   5           HB2      TYR   5  -3.010  -3.546  -7.125
   32    HB3  TYR   5           HB3      TYR   5  -1.476  -4.369  -6.691
   33    HD1  TYR   5           HD1      TYR   5  -1.580  -6.560  -5.351
   34    HD2  TYR   5           HD2      TYR   5  -5.022  -4.755  -7.179
   35    HE1  TYR   5           HE1      TYR   5  -2.766  -8.726  -5.246
   36    HE2  TYR   5           HE2      TYR   5  -6.208  -6.934  -7.085
   37    HH   TYR   5           HH       TYR   5  -4.663  -9.871  -5.851
   38    H    GLY   6           H        GLY   6  -3.204  -1.167  -4.025
   39    HA2  GLY   6           HA2      GLY   6  -1.285   0.514  -5.396
   40    HA3  GLY   6           HA3      GLY   6  -2.475   0.988  -4.128
   41    H    GLN   7           H        GLN   7  -0.117   2.239  -3.804
   42    HA   GLN   7           HA       GLN   7   1.610   0.496  -2.194
   43    HB2  GLN   7           HB2      GLN   7   2.528   1.929  -3.977
   44    HB3  GLN   7           HB3      GLN   7   1.962   3.380  -3.116
   45    HG2  GLN   7           HG2      GLN   7   3.506   2.828  -1.171
   46    HG3  GLN   7           HG3      GLN   7   3.941   1.273  -1.984
   47   HE21  GLN   7          HE21      GLN   7   6.118   2.390  -1.539
   48   HE22  GLN   7          HE22      GLN   7   6.744   3.314  -2.900
   49    H    CYS   8           H        CYS   8   1.963   0.872   0.093
   50    HA   CYS   8           HA       CYS   8   0.357   3.110   1.249
   51    HB2  CYS   8           HB2      CYS   8  -0.849   1.836   2.720
   52    HB3  CYS   8           HB3      CYS   8  -0.747   0.807   1.265
   53    H    GLY   9           H        GLY   9   3.335   1.536   1.149
   54    HA2  GLY   9           HA2      GLY   9   4.363   3.168   3.343
   55    HA3  GLY   9           HA3      GLY   9   4.377   1.376   3.570
   56    H    GLY  10           H        GLY  10   5.611   4.060   1.568
   57    HA2  GLY  10           HA2      GLY  10   8.010   2.375   1.174
   58    HA3  GLY  10           HA3      GLY  10   7.267   3.201  -0.245
   59    H    ILE  11           H        ILE  11   9.784   3.816   0.355
   60    HA   ILE  11           HA       ILE  11   9.882   6.017   2.175
   61    HB   ILE  11           HB       ILE  11  12.124   5.839   1.972
   62   HG12  ILE  11          HG12      ILE  11  12.509   6.681  -0.258
   63   HG13  ILE  11          HG13      ILE  11  13.442   5.198  -0.005
   64   HG21  ILE  11          HG21      ILE  11  12.752   3.498   1.794
   65   HG22  ILE  11          HG22      ILE  11  11.413   3.151   0.662
   66   HG23  ILE  11          HG23      ILE  11  11.072   3.511   2.403
   67   HD11  ILE  11          HD11      ILE  11  11.517   5.823  -2.137
   68   HD12  ILE  11          HD12      ILE  11  10.992   4.320  -1.298
   69   HD13  ILE  11          HD13      ILE  11  12.628   4.433  -2.029
   70    H    GLY  12           H        GLY  12   8.969   5.597  -0.997
   71    HA2  GLY  12           HA2      GLY  12   9.238   8.441  -1.802
   72    HA3  GLY  12           HA3      GLY  12   9.526   7.023  -2.901
   73    H    TYR  13           H        TYR  13   7.169   7.208  -0.355
   74    HA   TYR  13           HA       TYR  13   5.050   6.907  -2.367
   75    HB2  TYR  13           HB2      TYR  13   5.449   4.864  -0.972
   76    HB3  TYR  13           HB3      TYR  13   5.318   5.857   0.522
   77    HD1  TYR  13           HD1      TYR  13   3.379   5.630  -2.721
   78    HD2  TYR  13           HD2      TYR  13   3.282   5.473   1.596
   79    HE1  TYR  13           HE1      TYR  13   0.915   5.648  -2.771
   80    HE2  TYR  13           HE2      TYR  13   0.791   5.478   1.510
   81    HH   TYR  13           HH       TYR  13  -0.788   4.624  -1.042
   82    H    SER  14           H        SER  14   3.619   8.508  -2.508
   83    HA   SER  14           HA       SER  14   3.044  10.140  -0.122
   84    HB2  SER  14           HB2      SER  14   3.882  11.125  -2.880
   85    HB3  SER  14           HB3      SER  14   2.871  12.166  -1.815
   86    HG   SER  14           HG       SER  14   4.696  11.431  -0.207
   87    H    GLY  15           H        GLY  15   1.256   8.551  -0.004
   88    HA2  GLY  15           HA2      GLY  15  -1.048   9.802  -1.189
   89    HA3  GLY  15           HA3      GLY  15  -0.710   8.093  -1.694
   90    HA   PRO  16           HA       PRO  16  -3.382   8.174   2.144
   91    HB2  PRO  16           HB2      PRO  16  -4.594   5.746   0.827
   92    HB3  PRO  16           HB3      PRO  16  -5.417   7.221   1.458
   93    HG2  PRO  16           HG2      PRO  16  -4.658   6.534  -1.318
   94    HG3  PRO  16           HG3      PRO  16  -5.585   7.960  -0.776
   95    HD2  PRO  16           HD2      PRO  16  -2.926   7.937  -1.792
   96    HD3  PRO  16           HD3      PRO  16  -3.666   9.305  -0.846
   97    H    THR  17           H        THR  17  -2.744   7.202   4.068
   98    HA   THR  17           HA       THR  17  -0.732   5.188   3.797
   99    HB   THR  17           HB       THR  17  -1.798   6.169   6.482
  100    HG1  THR  17           HG1      THR  17  -0.030   7.673   4.936
  101   HG21  THR  17          HG21      THR  17   0.236   4.565   6.250
  102   HG22  THR  17          HG22      THR  17   0.594   6.122   7.058
  103   HG23  THR  17          HG23      THR  17   1.077   5.852   5.335
  104    H    VAL  18           H        VAL  18  -3.929   4.645   3.823
  105    HA   VAL  18           HA       VAL  18  -3.741   2.266   5.620
  106    HB   VAL  18           HB       VAL  18  -6.292   3.898   5.166
  107   HG11  VAL  18          HG11      VAL  18  -7.273   2.474   6.845
  108   HG12  VAL  18          HG12      VAL  18  -5.678   1.937   7.474
  109   HG13  VAL  18          HG13      VAL  18  -6.309   1.297   5.919
  110   HG21  VAL  18          HG21      VAL  18  -5.772   4.363   7.788
  111   HG22  VAL  18          HG22      VAL  18  -5.245   5.477   6.473
  112   HG23  VAL  18          HG23      VAL  18  -4.083   4.297   7.188
  113    H    CYS  19           H        CYS  19  -4.759   0.378   4.653
  114    HA   CYS  19           HA       CYS  19  -5.038   0.577   1.773
  115    HB2  CYS  19           HB2      CYS  19  -4.963  -1.669   3.848
  116    HB3  CYS  19           HB3      CYS  19  -5.191  -2.008   2.120
  117    H    ALA  20           H        ALA  20  -6.830  -0.233   0.564
  118    HA   ALA  20           HA       ALA  20  -9.211   0.721   0.825
  119    HB1  ALA  20           HB1      ALA  20  -9.985  -0.668  -0.878
  120    HB2  ALA  20           HB2      ALA  20  -9.139  -2.112  -0.222
  121    HB3  ALA  20           HB3      ALA  20  -8.202  -0.838  -1.047
  122    H    SER  21           H        SER  21 -11.474  -0.099   1.332
  123    HA   SER  21           HA       SER  21 -11.474  -0.927   4.026
  124    HB2  SER  21           HB2      SER  21 -13.134   0.625   2.822
  125    HB3  SER  21           HB3      SER  21 -13.873  -0.849   2.111
  126    HG   SER  21           HG       SER  21 -13.630  -0.235   4.907
  127    H    GLY  22           H        GLY  22 -10.895  -2.791   1.467
  128    HA2  GLY  22           HA2      GLY  22 -11.498  -5.294   2.869
  129    HA3  GLY  22           HA3      GLY  22 -11.744  -5.129   1.091
  130    H    THR  23           H        THR  23  -8.976  -3.378   2.293
  131    HA   THR  23           HA       THR  23  -7.255  -5.646   1.532
  132    HB   THR  23           HB       THR  23  -5.584  -4.217   0.461
  133    HG1  THR  23           HG1      THR  23  -7.202  -2.326   1.253
  134   HG21  THR  23          HG21      THR  23  -7.836  -3.533  -1.374
  135   HG22  THR  23          HG22      THR  23  -7.876  -5.249  -0.785
  136   HG23  THR  23          HG23      THR  23  -6.397  -4.596  -1.560
  137    H    THR  24           H        THR  24  -5.221  -5.683   2.485
  138    HA   THR  24           HA       THR  24  -4.903  -4.048   4.955
  139    HB   THR  24           HB       THR  24  -3.933  -6.885   4.327
  140    HG1  THR  24           HG1      THR  24  -6.269  -5.991   5.532
  141   HG21  THR  24          HG21      THR  24  -4.244  -6.648   7.124
  142   HG22  THR  24          HG22      THR  24  -3.658  -5.000   6.724
  143   HG23  THR  24          HG23      THR  24  -2.681  -6.461   6.326
  144    H    CYS  25           H        CYS  25  -2.447  -3.660   5.648
  145    HA   CYS  25           HA       CYS  25  -0.881  -2.888   3.269
  146    HB2  CYS  25           HB2      CYS  25  -0.965  -2.144   6.228
  147    HB3  CYS  25           HB3      CYS  25   0.618  -1.988   5.437
  148    H    GLN  26           H        GLN  26   0.454  -4.634   2.467
  149    HA   GLN  26           HA       GLN  26   2.029  -6.018   4.594
  150    HB2  GLN  26           HB2      GLN  26   1.733  -7.410   1.886
  151    HB3  GLN  26           HB3      GLN  26   2.396  -7.978   3.427
  152    HG2  GLN  26           HG2      GLN  26  -0.394  -8.149   2.441
  153    HG3  GLN  26           HG3      GLN  26   0.500  -9.211   3.550
  154   HE21  GLN  26          HE21      GLN  26  -1.651  -6.568   3.212
  155   HE22  GLN  26          HE22      GLN  26  -1.841  -6.204   4.898
  156    H    VAL  27           H        VAL  27   4.223  -6.516   4.065
  157    HA   VAL  27           HA       VAL  27   5.351  -4.426   2.339
  158    HB   VAL  27           HB       VAL  27   6.444  -5.881   4.767
  159   HG11  VAL  27          HG11      VAL  27   8.364  -5.583   3.283
  160   HG12  VAL  27          HG12      VAL  27   8.412  -4.197   4.425
  161   HG13  VAL  27          HG13      VAL  27   7.800  -3.951   2.755
  162   HG21  VAL  27          HG21      VAL  27   6.442  -2.911   4.724
  163   HG22  VAL  27          HG22      VAL  27   5.784  -4.019   5.954
  164   HG23  VAL  27          HG23      VAL  27   4.777  -3.556   4.537
  165    H    LEU  28           H        LEU  28   6.690  -4.824   0.746
  166    HA   LEU  28           HA       LEU  28   7.171  -7.632  -0.012
  167    HB2  LEU  28           HB2      LEU  28   7.560  -5.080  -1.731
  168    HB3  LEU  28           HB3      LEU  28   7.475  -6.790  -2.267
  169    HG   LEU  28           HG       LEU  28   5.553  -5.622  -2.982
  170   HD11  LEU  28          HD11      LEU  28   4.317  -7.106  -0.619
  171   HD12  LEU  28          HD12      LEU  28   5.361  -8.017  -1.769
  172   HD13  LEU  28          HD13      LEU  28   3.900  -7.153  -2.371
  173   HD21  LEU  28          HD21      LEU  28   4.137  -4.197  -1.774
  174   HD22  LEU  28          HD22      LEU  28   5.722  -3.873  -0.995
  175   HD23  LEU  28          HD23      LEU  28   4.520  -4.941  -0.191
  176    H    ASN  29           H        ASN  29   8.677  -4.345   0.215
  177    HA   ASN  29           HA       ASN  29  11.252  -5.621   0.705
  178    HB2  ASN  29           HB2      ASN  29  11.625  -3.264  -1.094
  179    HB3  ASN  29           HB3      ASN  29  12.327  -4.907  -1.205
  180   HD21  ASN  29          HD21      ASN  29  10.285  -6.558  -1.991
  181   HD22  ASN  29          HD22      ASN  29   9.582  -5.922  -3.463
  182    HA   PRO  30           HA       PRO  30  11.307  -2.280   3.567
  183    HB2  PRO  30           HB2      PRO  30  14.019  -1.530   3.756
  184    HB3  PRO  30           HB3      PRO  30  13.394  -3.109   4.357
  185    HG2  PRO  30           HG2      PRO  30  14.742  -2.513   1.665
  186    HG3  PRO  30           HG3      PRO  30  15.098  -3.862   2.817
  187    HD2  PRO  30           HD2      PRO  30  13.480  -4.175   0.602
  188    HD3  PRO  30           HD3      PRO  30  13.125  -5.068   2.153
  189    H    TYR  31           H        TYR  31  11.679  -1.697   0.384
  190    HA   TYR  31           HA       TYR  31  11.618   1.208   0.756
  191    HB2  TYR  31           HB2      TYR  31  12.883  -0.521  -1.441
  192    HB3  TYR  31           HB3      TYR  31  12.399   1.174  -1.800
  193    HD1  TYR  31           HD1      TYR  31  13.357   3.011  -0.638
  194    HD2  TYR  31           HD2      TYR  31  14.865  -0.917   0.062
  195    HE1  TYR  31           HE1      TYR  31  15.371   4.003   0.408
  196    HE2  TYR  31           HE2      TYR  31  16.910   0.063   1.099
  197    HH   TYR  31           HH       TYR  31  17.480   3.564   1.117
  198    H    TYR  32           H        TYR  32   9.524  -1.318   0.361
  199    HA   TYR  32           HA       TYR  32   7.576   0.345  -0.914
  200    HB2  TYR  32           HB2      TYR  32   8.802  -0.519  -2.956
  201    HB3  TYR  32           HB3      TYR  32   8.571  -2.185  -2.339
  202    HD1  TYR  32           HD2      TYR  32   6.738   0.822  -3.558
  203    HD2  TYR  32           HD1      TYR  32   6.669  -3.397  -2.969
  204    HE1  TYR  32           HE2      TYR  32   4.456   0.727  -4.570
  205    HE2  TYR  32           HE1      TYR  32   4.416  -3.523  -4.004
  206    HH   TYR  32           HH       TYR  32   2.793  -2.316  -5.151
  207    H    SER  33           H        SER  33   5.487  -0.193  -0.308
  208    HA   SER  33           HA       SER  33   4.900  -2.873   0.695
  209    HB2  SER  33           HB2      SER  33   4.045  -0.405   2.280
  210    HB3  SER  33           HB3      SER  33   3.694  -2.112   2.679
  211    HG   SER  33           HG       SER  33   6.127  -2.262   2.760
  212    H    GLN  34           H        GLN  34   2.683  -3.397   0.290
  213    HA   GLN  34           HA       GLN  34   1.259  -1.315  -1.236
  214    HB2  GLN  34           HB2      GLN  34   0.908  -2.641  -3.097
  215    HB3  GLN  34           HB3      GLN  34   2.561  -3.107  -2.647
  216    HG2  GLN  34           HG2      GLN  34   1.611  -5.194  -1.473
  217    HG3  GLN  34           HG3      GLN  34  -0.027  -4.709  -2.044
  218   HE21  GLN  34          HE21      GLN  34   0.203  -4.016  -4.649
  219   HE22  GLN  34          HE22      GLN  34   0.790  -5.414  -5.523
  220    H    CYS  35           H        CYS  35  -1.009  -2.040  -1.650
  221    HA   CYS  35           HA       CYS  35  -2.183  -3.103   0.820
  222    HB2  CYS  35           HB2      CYS  35  -3.211  -1.401  -1.502
  223    HB3  CYS  35           HB3      CYS  35  -4.340  -2.056  -0.266
  224    H    LEU  36           H        LEU  36  -3.252  -4.965   1.017
  225    HA   LEU  36           HA       LEU  36  -3.661  -6.553  -1.435
  226    HB2  LEU  36           HB2      LEU  36  -2.831  -7.418   1.400
  227    HB3  LEU  36           HB3      LEU  36  -3.105  -8.508   0.007
  228    HG   LEU  36           HG       LEU  36  -0.764  -8.309   0.246
  229   HD11  LEU  36          HD11      LEU  36  -1.747  -8.095  -2.118
  230   HD12  LEU  36          HD12      LEU  36  -0.070  -7.436  -1.944
  231   HD13  LEU  36          HD13      LEU  36  -1.486  -6.325  -2.010
  232   HD21  LEU  36          HD21      LEU  36   0.506  -6.342   0.692
  233   HD22  LEU  36          HD22      LEU  36  -1.049  -5.953   1.533
  234   HD23  LEU  36          HD23      LEU  36  -0.688  -5.291  -0.077
  235    H1   MAN 101           H1       MAN  37 -10.538   1.741   1.969
  236    H2   MAN 101           H2       MAN  37  -9.163   2.785   0.127
  237    H3   MAN 101           H3       MAN  37  -9.911   5.015   0.420
  238    H4   MAN 101           H4       MAN  37 -12.552   4.170  -0.814
  239    H5   MAN 101           H5       MAN  37 -11.936   5.026   2.077
  240    H61  MAN 101           H61      MAN  37 -14.442   3.884   0.744
  241    H62  MAN 101           H62      MAN  37 -14.220   5.570   1.340
  242    HO2  MAN 101           HO2      MAN  37 -10.201   1.835  -1.450
  243    HO3  MAN 101           HO3      MAN  37 -10.112   5.552  -1.775
  244    HO4  MAN 101           HO4      MAN  37 -12.596   6.298  -1.085
  245    HO6  MAN 101           HO6      MAN  37 -14.001   4.624   3.508
  246    H1   MAN 102           H1       MAN  38  -7.582   3.000  -6.878
  247    H2   MAN 102           H2       MAN  38  -5.912   1.204  -7.439
  248    H3   MAN 102           H3       MAN  38  -4.217   1.966  -5.761
  249    H4   MAN 102           H4       MAN  38  -3.772   4.230  -7.766
  250    H5   MAN 102           H5       MAN  38  -4.750   4.207  -4.853
  251    H61  MAN 102           H61      MAN  38  -4.575   6.500  -6.880
  252    H62  MAN 102           H62      MAN  38  -3.483   6.256  -5.470
  253    HO2  MAN 102           HO2      MAN  38  -6.356   3.403  -8.845
  254    HO3  MAN 102           HO3      MAN  38  -3.685   0.768  -7.904
  255    HO4  MAN 102           HO4      MAN  38  -1.827   3.827  -6.866
  256    HO6  MAN 102           HO6      MAN  38  -6.328   6.509  -5.314