*HEADER    HYDROLASE                               12-NOV-14   2MWK              
*TITLE     FAMILY 1 CARBOHYDRATE-BINDING MODULE FROM TRICHODERMA REESEI CEL7A    
*TITLE    2 WITH O-MANNOSE RESIDUES AT THR1, SER3, AND SER14                     
*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 2MWK    0                                                


INTERRESIDUE NOES (242 restraint ranges for XPLOR)

assign (resid 13 and name hh) (resid 2 and name he22) 2.3 0.5 0.2 
assign (resid 27 and name hn) (resid 26 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 33 and name hn) (resid 32 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 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 19 and name hn) (resid 18 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 2 and name hn) (resid 1 and name hb) 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 10 and name hn) (resid 9 and name ha2) 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 5 and name hn) (resid 4 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 34 and name hn) (resid 33 and name ha) 2.8 1.0 0.3 
assign (resid 30 and name hd1) (resid 29 and name hb*) 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 31 and name hn) (resid 32 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 4 and name hn) (resid 3 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 24 and name hn) (resid 23 and name hb) 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 5 and name hn) (resid 4 and name hd2) 2.8 1.0 0.3 
assign (resid 9 and name hn) (resid 7 and name hg2) 2.8 1.0 0.3 
assign (resid 8 and name hn) (resid 9 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 11 and name hn) (resid 31 and name ha) 2.8 1.0 0.3
assign (resid 5 and name hd1) (resid 36 and name hd1*) 3.3 1.5 0.3
assign (resid 28 and name hn) (resid 33 and name ha) 2.8 1.0 0.3
assign (resid 35 and name hb*) (resid 4 and name ha) 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 10 and name hn) (resid 9 and name ha1) 2.8 1.0 0.3
assign (resid 30 and name hd1) (resid 29 and name ha) 2.8 1.0 0.3
assign (resid 4 and name hd2) (resid 36 and name ha) 2.8 1.0 0.3
assign (resid 5 and name hn) (resid 35 and name hb2) 3.1 1.3 0.4
assign (resid 9 and name hn) (resid 7 and name hg1) 2.8 1.0 0.3
assign (resid 2 and name he21) (resid 13 and name he*) 2.8 1.0 0.3
assign (resid 35 and name hn) (resid 34 and name hg2) 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 13 and name hh) (resid 2 and name hg2) 2.8 1.0 0.3
assign (resid 22 and name hn) (resid 23 and name hn) 2.8 1.0 0.3
assign (resid 5 and name he1) (resid 36 and name hd1*) 3.3 1.5 0.3
assign (resid 32 and name he1) (resid 34 and name hb2) 3.1 1.3 0.4
assign (resid 20 and name hb*) (resid 3 and name ha) 3.3 1.5 0.3
assign (resid 21 and name hn) (resid 20 and name hb*) 3.3 1.5 0.3
assign (resid 4 and name hn) (resid 3 and name hb2) 3.1 1.3 0.4
assign (resid 3 and name hn) (resid 2 and name hg1) 3.1 1.3 0.4
assign (resid 31 and name hd1) (resid 11 and name hb) 3.1 1.3 0.4
assign (resid 29 and name hn) (resid 28 and name hg) 3.1 1.3 0.4
assign (resid 7 and name he22) (resid 13 and name hb1) 4.2 2.4 0.8
assign (resid 7 and name he22) (resid 13 and name hb2) 3.1 1.3 0.4
assign (resid 33 and name hb2) (resid 9 and name ha2) 3.1 1.3 0.4
assign (resid 8 and name hb2) (resid 17 and name ha) 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 24 and name hn) (resid 36 and name hn) 3.1 1.3 0.4
assign (resid 29 and name hn) (resid 27 and name ha) 4.2 2.4 0.8
assign (resid 19 and name hn) (resid 18 and name hg1*) 4.0 2.2 0.4
assign (resid 2 and name hb1) (resid 19 and name ha) 3.1 1.3 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) 3.1 1.3 0.4 
assign (resid 6 and name hn) (resid 35 and name hb*) 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 9 and name hn) (resid 7 and name ha) 3.1 1.3 0.4
assign (resid 12 and name hn) (resid 13 and name hn) 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 12 and name hn) (resid 11 and name hg2*) 3.6 1.8 0.4
assign (resid 9 and name hn) (resid 7 and name hb1) 3.5 1.7 0.4
assign (resid 9 and name hn) (resid  33 and name hb1) 3.1 1.3 0.4
assign (resid 36 and name hn) (resid 25 and name ha) 3.1 1.3 0.4
assign (resid 32 and name hd1) (resid 28 and name hd2*) 3.1 1.3 0.4
assign (resid 29 and name hn) (resid 27 and name hg1*) 4.0 2.2 0.4
assign (resid 34 and name hn) (resid 26 and name hn) 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 4 and name hd2) (resid 23 and name hg2*) 4.0 2.2 0.4
assign (resid 31 and name he1) (resid 11 and name hg2*) 4.0 2.2 0.4
assign (resid 34 and name hn) (resid 33 and name hb1) 3.5 1.7 0.4
assign (resid 13 and name hh) (resid 2 and name hg1) 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 7 and name he21) (resid 13 and name hb1) 4.2 2.4 0.8
assign (resid 7 and name he21) (resid 13 and name hb2) 2.8 1.0 0.3
assign (resid 4 and name hn) (resid 3 and name hb1) 3.5 1.7 0.4
assign (resid 2 and name he22) (resid 15 and name ha1) 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 34 and name he21) (resid 5 and name ha) 3.1 1.3 0.4
assign (resid 1 and name hg2*) (resid 20 and name ha) 4.0 2.2 0.4
assign (resid 26 and name hn) (resid 35 and name ha) 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 23 and name hg2*) (resid 4 and name ha) 4.0 2.2 0.4
assign (resid 35 and name hb*) (resid 23 and name hb) 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 8 and name hn) (resid 7 and name hg1) 3.5 1.7 0.4
assign (resid 13 and name hn) (resid 12 and name ha2) 3.5 1.7 0.4
assign (resid 32 and name he1) (resid 28 and name hd2*) 3.1 1.3 0.4
assign (resid 2 and name hn) (resid 19 and name ha) 3.1 1.3 0.4
assign (resid 5 and name hn) (resid 6 and name hn) 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 36 and name hn) (resid 23 and name hb) 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 35 and name hn) (resid 34 and name hg1) 3.5 1.7 0.4
assign (resid 7 and name he21) (resid 32 and name ha) 2.8 1.0 0.3
assign (resid 34 and name he21) (resid 5 and name hb1) 3.5 1.7 0.4
assign (resid 28 and name hn) (resid 27 and name hg1*) 3.6 1.8 0.4
assign (resid 32 and name he2) (resid 7 and name hb2) 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 23 and name hn) (resid 21 and name ha) 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 2 and name hn) (resid 1 and name hg2*) 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 2 and name he22) (resid 8 and name ha) 3.5 1.7 0.4
assign (resid 25 and name hn) (resid 24 and name hg2*) 4.0 2.2 0.4
assign (resid 9 and name hn) (resid 8 and name ha) 3.5 1.7 0.4
assign (resid 26 and name he22) (resid 36 and name hb2) 3.1 1.3 0.4
assign (resid 10 and name hn) (resid 33 and name hb2) 3.5 1.7 0.4
assign (resid 27 and name hn) (resid 26 and name hb1) 3.5 1.7 0.4
assign (resid 31 and name he1) (resid 11 and name hd*) 4.0 2.2 0.4
assign (resid 34 and name hn) (resid 33 and name hb2) 3.5 1.7 0.4
assign (resid 36 and name hn) (resid 35 and name hb1) 3.5 1.7 0.4
assign (resid 28 and name hn) (resid 27 and name hg2*) 4.0 2.2 0.4
assign (resid 22 and name hn) (resid 21 and name hb*) 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 23 and name hg2*) (resid 4 and name hb2) 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 29 and name hd22) (resid 32 and name hb1) 3.5 1.7 0.4
assign (resid 12 and name hn) (resid 11 and name hg12) 4.2 2.4 0.8
assign (resid 34 and name he21) (resid 5 and name hd1) 3.1 1.3 0.4
assign (resid 36 and name hd1*) (resid 5 and name ha) 4.0 2.2 0.4
assign (resid 31 and name hd1) (resid 11 and name hg2*) 4.0 2.2 0.4
assign (resid 29 and name hn) (resid 28 and name ha) 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 18 and name hn) (resid 16 and name ha) 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 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 29 and name hd22) (resid 32 and name hb2) 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 11 and name hg2*) (resid 12 and name ha1) 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 32 and name hd2) (resid 7 and name hg1) 3.5 1.7 0.4
assign (resid 32 and name hd1) (resid 28 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 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 2 and name he22) (resid 16 and name hb1) 3.5 1.7 0.4
assign (resid 14 and name hn) (resid 13 and name hb*) 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 14 and name hn) (resid 13 and name hd*) 3.5 1.7 0.4
assign (resid 31 and name hd2) (resid 30 and name hd2) 3.5 1.7 0.4
assign (resid 34 and name hn) (resid 25 and name ha) 4.2 2.4 0.8
assign (resid 32 and name he1) (resid 28 and name hg) 3.5 1.7 0.4
assign (resid 35 and name hn) (resid 34 and name hb2) 3.5 1.7 0.4
assign (resid 32 and name hd1) (resid 34 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 18 and name hg1*) (resid 1 and name hb) 4.2 2.4 0.8
assign (resid 31 and name hd1) (resid 11 and name hd*) 4.0 2.2 0.4
assign (resid 29 and name hd21) (resid 28 and name hg) 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 8 and name hn) (resid 7 and name hb1) 4.2 2.4 0.8
assign (resid 34 and name hn) (resid 27 and name ha) 3.5 1.7 0.4
assign (resid 32 and name he1) (resid 28 and name hd1*) 4.2 2.4 0.8
assign (resid 27 and name hg1*) (resid 29 and name ha) 4.0 2.2 0.4
assign (resid 17 and name hn) (resid 18 and name hg2*) 4.0 2.2 0.4
assign (resid 8 and name hn) (resid 7 and name hb2) 4.2 2.4 0.8
assign (resid 2 and name he22) (resid 16 and name hd1) 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 18 and name hn) (resid 17 and name hg2*) 4.0 2.2 0.4
assign (resid 18 and name hn) (resid 1 and name hb) 4.2 2.4 0.8
assign (resid 3 and name hn) (resid 2 and name hb1) 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 26 and name he21) (resid 36 and name hb2) 3.1 1.3 0.4
assign (resid 32 and name hd2) (resid 33 and name hn) 3.5 1.7 0.4
assign (resid 27 and name hg1*) (resid 28 and name ha) 4.0 2.2 0.4
assign (resid 29 and name hn) (resid 27 and name hg2*) 4.7 2.9 0.8
assign (resid 24 and name hn) (resid 35 and name ha) 3.5 1.7 0.4
assign (resid 34 and name he21) (resid 5 and name hb2) 3.1 1.3 0.4
assign (resid 2 and name he22) (resid 16 and name hb2) 3.5 1.7 0.4
assign (resid 10 and name hn) (resid 9 and name hn) 3.5 1.7 0.4
assign (resid 29 and name hd22) (resid 28 and name hg) 3.5 1.7 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 9 and name hn) (resid 7 and name hb1) 4.2 2.4 0.8
assign (resid 26 and name hn) (resid 25 and name hb1) 3.5 1.7 0.4
assign (resid 24 and name hn) (resid 23 and name hn) 4.2 2.4 0.8
assign (resid 31 and name hd2) (resid 30 and name hg1) 3.5 1.7 0.4
assign (resid 5 and name hn) (resid 23 and name hg2*) 4.0 2.2 0.4
assign (resid 13 and name hh) (resid 2 and name hb2) 3.5 1.7 0.4
assign (resid 2 and name he22) (resid 17 and name ha) 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 24 and name hn) (resid 25 and name hn) 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 13 and name hh) (resid 2 and name hb1) 4.2 2.4 0.8
assign (resid 4 and name hn) (resid 23 and name hg2*) 4.7 2.9 0.8
assign (resid 5 and name he1) (resid 36 and name ha) 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 24 and name hn) (resid 35 and name hb*) 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 5 and name hn) (resid 4 and name hb2) 4.2 2.4 0.8
assign (resid 29 and name hd21) (resid 32 and name hb2) 4.2 2.4 0.8
assign (resid 13 and name hh) (resid 6 and name ha1) 4.2 2.4 0.8
assign (resid 31 and name hd2) (resid 30 and name hd1) 4.2 2.4 0.8
assign (resid 31 and name hd1) (resid 11 and name hn) 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 26 and name he21) (resid 24 and name hb) 4.2 2.4 0.8
assign (resid 32 and name hd1) (resid 28 and name hb*) 4.2 2.4 0.8
assign (resid 26 and name he21) (resid 24 and name hg2*) 4.7 2.9 0.8
assign (resid 29 and name hd21) (resid 32 and name hb1) 4.2 2.4 0.8
assign (resid 26 and name hn) (resid 33 and name ha) 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 16 and name hd2) (resid 15 and name ha2) 2.8 1.0 0.3
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) 3.5 1.7 0.4
assign (resid 32 and name hn) (resid 29 and name hd22) 3.5 1.7 0.4
assign (resid 34 and name he21) (resid 32 and name hd1) 4.2 2.4 0.8
assign (resid 5 and name hn) (resid 36 and name hd1*) 3.5 1.7 0.4
assign (resid 32 and name hn) (resid 30 and name ha) 3.5 1.7 0.4
assign (resid 36 and name hn) (resid 35 and name hn) 4.2 2.4 0.8
assign (resid 36 and name hn) (resid 4 and name hd2) 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 3 and name hn) (resid 4 and name hn) 4.2 2.4 0.8
assign (resid 11 and name hn) (resid 31 and name hb1) 4.2 2.4 0.8
assign (resid 33 and name hn) (resid 32 and name he2) 4.2 2.4 0.8
assign (resid 6 and name ha1) (resid 3 and name hb2) 3.5 1.7 0.4
assign (resid 26      and name hn) (resid  33      and name hb1) 3.5 1.7 0.4
assign (resid 32      and name hn) (resid  10      and name ha2) 3.1 1.3 0.4
assign (resid 36      and name hn) (resid  23      and name hg2*) 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 23 and name hg2*) (resid 1 and name h1) 4.7 2.9 0.8
assign (resid 23 and name hn) (resid 1 and name h1) 4.2 2.4 0.8
assign (resid 4 and name hn) (resid 3 and name h1) 4.2 2.4 0.8
assign (resid 6 and name hn) (resid 3 and name h3) 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 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 12 and name hn) (resid 11 and name ha) 2.8 1.0 0.3
assign (resid 11 and name hn) (resid 10 and name ha1) 2.8 1.0 0.3
assign (resid 2 and name hn) (resid 1 and name ha) 3.5 1.7 0.4
assign (resid 33 and name hb1) (resid 27 and name ha) 3.1 1.3 0.4
assign (resid 32 and name he2) (resid 7 and name hb1) 3.5 1.7 0.4
assign (resid 1 and name hg2*) (resid 19 and name hb1) 4.7 2.9 0.8
assign (resid 23 and name hg2*) (resid 4 and name hb1) 4.0 2.2 0.4

INTRARESIDUE NOES (233 restraint ranges for XPLOR)

assign (resid 7 and name he21) (resid 7 and name hg1) 3.5 1.7 0.4  
assign (resid 28 and name hd1*) (resid 28 and name ha) 3.1 1.3 0.4 
assign (resid 29 and name hd22) (resid 29 and name hb*) 3.5 1.7 0.4
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 17 and name hn) (resid 17 and name hg2*) 4.0 2.2 0.4
assign (resid 4 and name hd2) (resid 4 and name hb1) 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 19 and name hn) (resid 19 and name hb1) 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 2 and name hb1) (resid 2 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 28 and name hn) (resid 28 and name hg) 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 32 and name hn) (resid 32 and name hb2) 3.5 1.7 0.4
assign (resid 27 and name hn) (resid 27 and name hg2*) 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 26 and name he21) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 11 and name hd1*) (resid 11 and name hg12) 4.0 2.2 0.4
assign (resid 14 and name hn) (resid 14 and name hb1) 3.5 1.7 0.4
assign (resid 19 and name hb2) (resid 19 and name ha) 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 11 and name hd1*) (resid 11 and name hg2*) 4.0 2.2 0.4
assign (resid 32 and name hb2) (resid 32 and name ha) 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 14 and name hn) (resid 14 and name hb2) 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 24 and name hn) (resid 24 and name hb) 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 7 and name he22) (resid 7 and name hg2) 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 36 and name hn) (resid 36 and name hg) 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 11 and name hd1*) (resid 11 and name ha) 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 2 and name he22) (resid 2 and name hg1) 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 28 and name hd2*) (resid 28 and name ha) 4.0 2.2 0.4 
assign (resid 11 and name hn) (resid 11 and name hd1*) 4.2 2.4 0.8
assign (resid 7 and name he21) (resid 7 and name ha) 4.2 2.4 0.8
assign (resid 5 and name he*) (resid 5 and name hb2) 4.2 2.4 0.8
assign (resid 34 and name hn) (resid 34 and name hg2) 3.5 1.7 0.4
assign (resid 8 and name hn) (resid 8 and name hb1) 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 5 and name he*) (resid 5 and name hb1) 4.2 2.4 0.8
assign (resid 2 and name he21) (resid 2 and name he22) 2.8 1.0 0.4
assign (resid 26 and name hn) (resid 26 and name hg2) 3.5 1.7 0.4
assign (resid 26 and name he21) (resid 26 and name hg2) 3.5 1.7 0.4
assign (resid 34 and name hn) (resid 34 and name hb1) 3.5 1.7 0.4
assign (resid 32 and name he*) (resid 32 and name hb1) 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 36 and name hn) (resid 36 and name hd2*) 4.2 2.4 0.8
assign (resid 32 and name he*) (resid 32 and name ha) 4.2 2.4 0.8
assign (resid 5 and name he*) (resid 5 and name ha) 4.2 2.4 0.8
assign (resid 26 and name he22) (resid 26 and name hg1) 3.5 1.7 0.4
assign (resid 4 and name hd2) (resid 4 and name he1) 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 5 and name hn) (resid 5 and name hb1) 3.5 1.7 0.4
assign (resid 7 and name he22) (resid 7 and name ha) 4.2 2.4 0.8
assign (resid 36 and name hn) (resid 36 and name hd1*) 4.2 2.4 0.8
assign (resid 2 and name hn) (resid 2 and name hg1) 4.2 2.4 0.8
assign (resid 31 and name he*) (resid 31 and name ha) 4.2 2.4 0.8
assign (resid 2 and name he22) (resid 2 and name hg1) 4.2 2.4 0.8
assign (resid 29 and name hd21) (resid 29 and name ha) 4.2 2.4 0.8
assign (resid 34 and name he21) (resid 34 and name hg1) 3.5 1.7 0.4
assign (resid 31 and name hn) (resid 31 and name hd*) 4.2 2.4 0.8
assign (resid 25 and name hb2) (resid 25 and name hb1) 2.3 0.5 0.2
assign (resid 22 and name ha2) (resid 22 and name ha1) 2.3 0.5 0.2
assign (resid 14 and name hb2) (resid 14 and name hb1) 2.3 0.5 0.2
assign (resid 26 and name he21) (resid 26 and name he22) 2.3 0.5 0.2
assign (resid 12 and name ha2) (resid 12 and name ha1) 2.3 0.5 0.2
assign (resid 32 and name hb2) (resid 32 and name hb1) 2.3 0.5 0.2
assign (resid 4 and name hb2) (resid 4 and name hb1) 2.3 0.5 0.2
assign (resid 5 and name hb2) (resid 5 and name hb1) 2.3 0.5 0.2
assign (resid 31 and name hb2) (resid 31 and name hb1) 2.3 0.5 0.2
assign (resid 8 and name hb2) (resid 8 and name hb1) 2.3 0.5 0.2
assign (resid 6 and name ha2) (resid 6 and name ha1) 2.3 0.5 0.2
assign (resid 33 and name hb2) (resid 33 and name hb1) 2.3 0.5 0.2
assign (resid 19 and name hb2) (resid 19 and name hb1) 2.3 0.5 0.2
assign (resid 29 and name hd21) (resid 29 and name hd22) 2.3 0.5 0.2
assign (resid 3 and name hb2) (resid 3 and name hb1) 2.3 0.5 0.2
assign (resid 30 and name hb2) (resid 30 and name hb1) 2.3 0.5 0.2
assign (resid 2 and name hg2) (resid 2 and name hg1) 2.3 0.5 0.2
assign (resid 7 and name he21) (resid 7 and name he22) 2.3 0.5 0.2
assign (resid 2 and name hb2) (resid 2 and name hb1) 2.3 0.5 0.2
assign (resid 7 and name hb2) (resid 7 and name hb1) 2.3 0.5 0.2
assign (resid 16 and name hb2) (resid 16 and name hb1) 2.3 0.5 0.2
assign (resid 11 and name hg12) (resid 11 and name hg11) 2.3 0.5 0.2
assign (resid 7 and name hg2) (resid 7 and name hg1) 2.3 0.5 0.2
assign (resid 26 and name hg2) (resid 26 and name hg1) 2.3 0.5 0.2
assign (resid 27 and name hn) (resid 27 and name ha) 2.8 1.0 0.4
assign (resid 31 and name hd*) (resid 31 and name he*) 2.8 1.0 0.4
assign (resid 12 and name hn) (resid 12 and name ha2) 2.8 1.0 0.4
assign (resid 34 and name he21) (resid 34 and name he22) 2.8 1.0 0.4
assign (resid 5 and name hd*) (resid 5 and name he*) 2.8 1.0 0.4
assign (resid 32 and name hd*) (resid 32 and name he*) 2.8 1.0 0.4
assign (resid 1 and name hg2*) (resid 1 and name hb) 3.3 1.5 0.4
assign (resid 29 and name hb*) (resid 29 and name ha) 2.8 1.0 0.4
assign (resid 27 and name hn) (resid 27 and name hb) 2.8 1.0 0.4
assign (resid 13 and name hn) (resid 13 and name hb*) 2.8 1.0 0.4
assign (resid 6 and name hn) (resid 6 and name ha2) 2.8 1.0 0.4
assign (resid 5 and name hn) (resid 5 and name ha) 2.8 1.0 0.4
assign (resid 22 and name hn) (resid 22 and name ha2) 2.8 1.0 0.4
assign (resid 6 and name hn) (resid 6 and name ha1) 2.8 1.0 0.4
assign (resid 14 and name hn) (resid 14 and name ha) 2.8 1.0 0.4
assign (resid 21 and name hn) (resid 21 and name ha) 2.8 1.0 0.4
assign (resid 7 and name hn) (resid 7 and name ha) 2.8 1.0 0.4
assign (resid 22 and name hn) (resid 22 and name ha1) 2.8 1.0 0.4
assign (resid 9 and name hn) (resid 9 and name ha2) 2.8 1.0 0.4
assign (resid 25 and name hn) (resid 25 and name ha) 2.8 1.0 0.4
assign (resid 13 and name hn) (resid 13 and name ha) 2.8 1.0 0.4
assign (resid 24 and name hn) (resid 24 and name ha) 2.8 1.0 0.4
assign (resid 23 and name hn) (resid 23 and name ha) 2.8 1.0 0.4
assign (resid 3 and name hn) (resid 3 and name ha) 2.8 1.0 0.4
assign (resid 29 and name hn) (resid 29 and name ha) 2.8 1.0 0.4
assign (resid 36 and name hn) (resid 36 and name ha) 2.8 1.0 0.4
assign (resid 33 and name hn) (resid 33 and name ha) 2.8 1.0 0.4
assign (resid 28 and name hn) (resid 28 and name ha) 2.8 1.0 0.4
assign (resid 9 and name hn) (resid 9 and name ha1) 2.8 1.0 0.4
assign (resid 15 and name ha2) (resid 15 and name hn) 2.8 1.0 0.4
assign (resid 11 and name hn) (resid 11 and name ha) 2.8 1.0 0.4
assign (resid 4 and name hn) (resid 4 and name ha) 2.8 1.0 0.4
assign (resid 35 and name hn) (resid 35 and name ha) 2.8 1.0 0.4
assign (resid 32 and name hn) (resid 32 and name ha) 2.8 1.0 0.4
assign (resid 17 and name hn) (resid 17 and name ha) 2.8 1.0 0.4
assign (resid 18 and name hn) (resid 18 and name ha) 2.8 1.0 0.4
assign (resid 2 and name hn) (resid 2 and name ha) 2.8 1.0 0.4
assign (resid 8 and name hn) (resid 8 and name ha) 2.8 1.0 0.4
assign (resid 15 and name ha1) (resid 15 and name hn) 2.8 1.0 0.4
assign (resid 10 and name hn) (resid 10 and name ha2) 2.8 1.0 0.4
assign (resid 12 and name hn) (resid 12 and name ha1) 2.8 1.0 0.4
assign (resid 28 and name hb2) (resid 28 and name hb1) 2.8 1.0 0.4
assign (resid 18 and name hg2*) (resid 18 and name hb) 3.6 1.8 0.4
assign (resid 36 and name hd2*) (resid 36 and name hb2) 3.6 1.8 0.4
assign (resid 17 and name hg2*) (resid 17 and name hb) 3.6 1.8 0.4
assign (resid 18 and name hg2*) (resid 18 and name hb) 3.6 1.8 0.4
assign (resid 13 and name hb*) (resid 13 and name ha) 3.1 1.3 0.4
assign (resid 5 and name hd*) (resid 5 and name hb1) 3.1 1.3 0.4
assign (resid 20 and name hb*) (resid 20 and name ha) 3.6 1.8 0.4
assign (resid 36 and name hd2*) (resid 36 and name hg) 3.1 1.3 0.4
assign (resid 31 and name hd*) (resid 31 and name hb2) 3.1 1.3 0.4
assign (resid 16 and name hb1) (resid 16 and name ha) 3.1 1.3 0.4
assign (resid 5 and name hd*) (resid 5 and name hb2) 3.1 1.3 0.4
assign (resid 23 and name hb) (resid 23 and name ha) 3.1 1.3 0.4
assign (resid 36 and name hd1*) (resid 36 and name ha) 3.6 1.8 0.4
assign (resid 32 and name hd*) (resid 32 and name hb1) 3.1 1.3 0.4
assign (resid 23 and name hg2*) (resid 23 and name hb) 3.6 1.8 0.4
assign (resid 35 and name hb*) (resid 35 and name ha) 3.1 1.3 0.4
assign (resid 35 and name hn) (resid 35 and name hb*) 3.1 1.3 0.4
assign (resid 24 and name hg2*) (resid 24 and name hb) 3.6 1.8 0.4
assign (resid 8 and name hb2) (resid 8 and name ha) 3.1 1.3 0.4
assign (resid 36 and name hb2) (resid 36 and name ha) 3.1 1.3 0.4
assign (resid 5 and name hd*) (resid 5 and name ha) 3.1 1.3 0.4
assign (resid 11 and name hd1*) (resid 11 and name hg11) 3.6 1.8 0.4
assign (resid 8 and name hb1) (resid 8 and name ha) 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 19 and name hn) (resid 19 and name hb2) 3.1 1.3 0.4
assign (resid 33 and name hn) (resid 33 and name hb2) 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 27 and name hg1*) (resid 27 and name hb) 3.6 1.8 0.4
assign (resid 30 and name hb1) (resid 30 and name ha) 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 18 and name hg1*) (resid 18 and name ha) 3.6 1.8 0.4
assign (resid 3 and name hb2) (resid 3 and name ha) 3.1 1.3 0.4
assign (resid 27 and name hg2*) (resid 27 and name hb) 3.6 1.8 0.4
assign (resid 32 and name hd*) (resid 32 and name hb2) 3.1 1.3 0.4
assign (resid 29 and name hd21) (resid 29 and name hb*) 3.1 1.3 0.4
assign (resid 32 and name hd*) (resid 32 and name ha) 3.1 1.3 0.4
assign (resid 27 and name hn) (resid 27 and name hg1*) 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 4 and name hn) (resid 4 and name hb1) 3.1 1.3 0.4
assign (resid 27 and name hg1*) (resid 27 and name ha) 3.6 1.8 0.4
assign (resid 36 and name hn) (resid 36 and name hb2) 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 11 and name hd1*) (resid 11 and name hb) 3.6 1.8 0.4
assign (resid 17 and name hg1*) (resid 17 and name ha) 3.6 1.8 0.4
assign (resid 11 and name hg2*) (resid 11 and name ha) 3.6 1.8 0.4
assign (resid 11 and name hn) (resid 11 and name hg11) 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 25 and name hn) (resid 25 and name hb2) 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 5 and name hb2) (resid 5 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 11 and name hn) (resid 11 and name hb) 3.1 1.3 0.4
assign (resid 18 and name hn) (resid 18 and name hg2*) 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 36 and name hd1*) (resid 36 and name hb2) 3.6 1.8 0.4
assign (resid 7 and name hg2) (resid 7 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 25 and name hn) (resid 25 and name hb1) 3.1 1.3 0.4
assign (resid 27 and name hg2*) (resid 27 and name hg1*) 3.3 1.5 0.4
assign (resid 26 and name hn) (resid 26 and name hb2) 3.1 1.3 0.4
assign (resid 30 and name hd1) (resid 30 and name hg1) 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 11 and name hg2*) (resid 11 and name hb) 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 33 and name hb1) (resid 33 and name ha) 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 19 and name hb1) (resid 19 and name ha) 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 36 and name hd1*) (resid 36 and name hg) 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 13 and name hd*) (resid 13 and name hb*) 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 2 and name hn) (resid 2 and name hb1) 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 28 and name hb2) (resid 28 and name hd1*) 3.6 1.8 0.4 
assign (resid 4 and name hb2) (resid 4 and name ha) 3.1 1.3 0.4  
assign (resid 16 and name hb2) (resid 16 and name ha) 3.1 1.3 0.4  
assign (resid 11 and name hg12) (resid 11 and name ha) 3.1 1.3 0.4  
assign (resid 32 and name hb1) (resid 32 and name ha) 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 hb2) 3.1 1.3 0.4  
assign (resid 25 and name hb2) (resid 25 and name ha) 3.1 1.3 0.4  
assign (resid 3 and name hb1) (resid 3 and name ha) 3.1 1.3 0.4  
assign (resid 3 and name hn) (resid 3 and name hb1) 3.1 1.3 0.4  
assign (resid 32 and name hn) (resid 32 and name hb1) 3.1 1.3 0.4  
assign (resid 31 and name hb2) (resid 31 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 34 and name hn) (resid 34 and name hb2) 3.1 1.3 0.4  
assign (resid 11 and name hg2*) (resid 11 and name hg11) 3.6 1.8 0.4
assign (resid 16 and name hd2) (resid 16 and name hd1) 2.3 0.5 0.2  
assign (resid 16 and name hd2) (resid 16 and name ha) 3.5 1.7 0.4  
assign (resid 13 and name hn) (resid 13 and name hd*) 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 2 and name hb2) (resid 2 and name ha) 2.8 1.0 0.3  
assign (resid 3 and name hb2) (resid 3 and name h1) 3.1 1.3 0.4  
assign (resid 14 and name hb1) (resid 14 and name h1) 3.1 1.3 0.4  
assign (resid 14 and name hb2) (resid 14 and name h1) 3.1 1.3 0.4  
assign (resid 3 and name hb1) (resid 3 and name h1) 3.1 1.3 0.4  
assign (resid 14 and name hn) (resid 14 and name h3) 3.1 1.3 0.4    
assign (resid 3 and name hn) (resid 3 and name h3) 3.5 1.7 0.4  
assign (resid 3 and name hn) (resid 3 and name h2) 3.5 1.7 0.4

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 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 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     
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 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 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 8 and name c) (resid 9 and name ca)         
(resid 9 and name n) (resid 9 and name c) 1 120.0 40.0 2    
assign (resid 14 and name c) (resid 15 and name ca)         
(resid 15 and name n) (resid 15 and name c) 1 120.0 40.0 2    
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 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 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 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

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 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
assign (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name c6) (resid 14 and name o6) 5 175 2 2
assign (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) 5 -61.7 2 2
assign (resid 14 and name h1) (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) 5 178.0 2 2
assign (resid 14 and name c1) (resid 14 and name o5) (resid 14 and name c5) (resid 14 and name c4) 5 54.9 2 2
assign (resid 14 and name c5) (resid 14 and name c4) (resid 14 and name c3) (resid 14 and name c2) 5 58.21 2 2
assign (resid 14 and name c5) (resid 14 and name o5) (resid 14 and name c1) (resid 14 and name c2) 5 -61.7 2 2
assign (resid 14 and name o5) (resid 14 and name c1) (resid 14 and name c2) (resid 14 and name c3) 5 60.0 2 2
assign (resid 14      and name  c4)     (resid  14 and name c3) (resid 14 and name c2) (resid  14 and name o2)     5 60.0    2       2
assign (resid 14      and name  c4)     (resid  14 and name c3) (resid 14 and name c2) (resid  14 and name h2)     5 180.0   2       2
assign (resid 14       and name  c1)     (resid  14 and name c2) (resid 14 and name c3) (resid  14 and name h3)     5 60.0    2       2
assign (resid 14      and name  c1)     (resid  14 and name c2) (resid 14 and name c3) (resid  14 and name o3)     5 180.0   2       2
assign (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name o4) 5 180. 2 2
assign (resid 14 and name c2) (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name h4) 5 -60. 2 2
assign (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name h5) 5  60. 2       2
assign (resid 14 and name c3) (resid 14 and name c4) (resid 14 and name c5) (resid 14 and name c6) 5  180. 2       2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name o5) 5 180. 2 2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name h1) 5 60.0 2 2
assign (resid 14 and name cb) (resid 14 and name o1) (resid 14 and name c1) (resid 14 and name c2) 5 -60.0 2 2

    
    
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1  -8.720   6.307   2.125
    2    H2   THR   1           H2       THR   1  -7.319   7.150   1.652
    3    H3   THR   1           H3       THR   1  -7.648   6.867   3.320
    4    HA   THR   1           HA       THR   1  -6.374   5.014   3.053
    5    HB   THR   1           HB       THR   1  -7.723   3.126   1.562
    6   HG21  THR   1          HG21      THR   1  -7.621   3.084   3.993
    7   HG22  THR   1          HG22      THR   1  -9.322   2.869   3.517
    8   HG23  THR   1          HG23      THR   1  -8.760   4.446   4.172
    9    H    GLN   2           H        GLN   2  -5.518   3.184   1.267
   10    HA   GLN   2           HA       GLN   2  -5.007   4.564  -1.292
   11    HB2  GLN   2           HB2      GLN   2  -3.137   3.308   0.407
   12    HB3  GLN   2           HB3      GLN   2  -3.531   1.977  -0.687
   13    HG2  GLN   2           HG2      GLN   2  -1.746   3.099  -1.837
   14    HG3  GLN   2           HG3      GLN   2  -3.195   3.660  -2.703
   15   HE21  GLN   2          HE21      GLN   2  -1.126   4.438   0.105
   16   HE22  GLN   2          HE22      GLN   2  -1.418   6.151   0.078
   17    H    SER   3           H        SER   3  -5.125   3.153  -3.220
   18    HA   SER   3           HA       SER   3  -7.491   1.612  -3.175
   19    HB2  SER   3           HB2      SER   3  -5.990   1.327  -5.699
   20    HB3  SER   3           HB3      SER   3  -7.530   2.226  -5.384
   21    H    HIS   4           H        HIS   4  -7.628  -0.520  -4.437
   22    HA   HIS   4           HA       HIS   4  -6.109  -2.522  -3.157
   23    HB2  HIS   4           HB2      HIS   4  -8.420  -2.669  -4.453
   24    HB3  HIS   4           HB3      HIS   4  -7.421  -2.889  -5.926
   25    HD1  HIS   4           HD1      HIS   4  -9.173  -5.163  -5.380
   26    HD2  HIS   4           HD2      HIS   4  -5.642  -4.853  -3.138
   27    HE1  HIS   4           HE1      HIS   4  -8.665  -7.459  -4.463
   28    HE2  HIS   4           HE2      HIS   4  -6.781  -7.003  -2.801
   29    H    TYR   5           H        TYR   5  -4.189  -3.407  -3.525
   30    HA   TYR   5           HA       TYR   5  -2.287  -3.891  -4.350
   31    HB2  TYR   5           HB2      TYR   5  -3.130  -3.223  -7.204
   32    HB3  TYR   5           HB3      TYR   5  -1.815  -4.327  -6.683
   33    HD1  TYR   5           HD1      TYR   5  -2.485  -6.482  -5.356
   34    HD2  TYR   5           HD2      TYR   5  -5.290  -3.973  -7.429
   35    HE1  TYR   5           HE1      TYR   5  -4.114  -8.345  -5.410
   36    HE2  TYR   5           HE2      TYR   5  -6.929  -5.833  -7.466
   37    HH   TYR   5           HH       TYR   5  -6.103  -9.064  -6.653
   38    H    GLY   6           H        GLY   6  -3.232  -1.013  -3.797
   39    HA2  GLY   6           HA2      GLY   6  -1.060   0.515  -5.061
   40    HA3  GLY   6           HA3      GLY   6  -2.382   1.104  -3.969
   41    H    GLN   7           H        GLN   7  -0.030   2.122  -3.316
   42    HA   GLN   7           HA       GLN   7   1.312   0.220  -1.561
   43    HB2  GLN   7           HB2      GLN   7   2.477   1.723  -3.208
   44    HB3  GLN   7           HB3      GLN   7   1.979   3.123  -2.256
   45    HG2  GLN   7           HG2      GLN   7   3.376   2.495  -0.369
   46    HG3  GLN   7           HG3      GLN   7   3.328   0.773  -0.846
   47   HE21  GLN   7          HE21      GLN   7   5.569   0.860  -0.459
   48   HE22  GLN   7          HE22      GLN   7   6.632   1.216  -1.833
   49    H    CYS   8           H        CYS   8   0.787   0.071   0.613
   50    HA   CYS   8           HA       CYS   8  -0.395   2.497   1.911
   51    HB2  CYS   8           HB2      CYS   8  -1.779   1.046   2.822
   52    HB3  CYS   8           HB3      CYS   8  -0.870  -0.362   2.184
   53    H    GLY   9           H        GLY   9   2.548   0.768   1.495
   54    HA2  GLY   9           HA2      GLY   9   3.895   2.542   3.355
   55    HA3  GLY   9           HA3      GLY   9   3.811   0.794   3.836
   56    H    GLY  10           H        GLY  10   6.256   2.363   3.107
   57    HA2  GLY  10           HA2      GLY  10   7.332   0.395   1.359
   58    HA3  GLY  10           HA3      GLY  10   7.117   2.031   0.575
   59    H    ILE  11           H        ILE  11   9.654   1.017   0.906
   60    HA   ILE  11           HA       ILE  11  10.843   2.242   3.192
   61    HB   ILE  11           HB       ILE  11  11.763   1.128   0.573
   62   HG12  ILE  11          HG12      ILE  11  11.289  -0.016   3.000
   63   HG13  ILE  11          HG13      ILE  11  12.542  -0.601   1.883
   64   HG21  ILE  11          HG21      ILE  11  13.170   3.125   0.630
   65   HG22  ILE  11          HG22      ILE  11  14.170   1.759   1.212
   66   HG23  ILE  11          HG23      ILE  11  13.489   2.930   2.392
   67   HD11  ILE  11          HD11      ILE  11  13.183   1.386   4.143
   68   HD12  ILE  11          HD12      ILE  11  14.337   0.458   3.105
   69   HD13  ILE  11          HD13      ILE  11  13.305  -0.408   4.289
   70    H    GLY  12           H        GLY  12   9.941   3.455   0.015
   71    HA2  GLY  12           HA2      GLY  12  10.572   6.212   0.911
   72    HA3  GLY  12           HA3      GLY  12  11.018   5.584  -0.723
   73    H    TYR  13           H        TYR  13   8.084   5.228   1.321
   74    HA   TYR  13           HA       TYR  13   6.560   6.095  -1.047
   75    HB2  TYR  13           HB2      TYR  13   6.035   3.786  -0.242
   76    HB3  TYR  13           HB3      TYR  13   5.589   4.461   1.376
   77    HD1  TYR  13           HD2      TYR  13   5.011   5.243  -2.266
   78    HD2  TYR  13           HD1      TYR  13   3.220   4.724   1.624
   79    HE1  TYR  13           HE2      TYR  13   2.809   5.801  -3.211
   80    HE2  TYR  13           HE1      TYR  13   1.006   5.176   0.644
   81    HH   TYR  13           HH       TYR  13  -0.115   5.335  -1.478
   82    H    SER  14           H        SER  14   5.019   7.693  -0.975
   83    HA   SER  14           HA       SER  14   4.736   9.167   1.559
   84    HB2  SER  14           HB2      SER  14   4.988  10.952  -0.845
   85    HB3  SER  14           HB3      SER  14   5.702  11.088   0.823
   86    H    GLY  15           H        GLY  15   2.669   7.661   1.099
   87    HA2  GLY  15           HA2      GLY  15   0.656   9.590   0.244
   88    HA3  GLY  15           HA3      GLY  15   0.705   7.982  -0.586
   89    HA   PRO  16           HA       PRO  16  -1.981   7.928   3.268
   90    HB2  PRO  16           HB2      PRO  16  -3.409   6.118   1.247
   91    HB3  PRO  16           HB3      PRO  16  -4.161   7.190   2.485
   92    HG2  PRO  16           HG2      PRO  16  -3.903   7.844  -0.227
   93    HG3  PRO  16           HG3      PRO  16  -3.904   9.106   1.066
   94    HD2  PRO  16           HD2      PRO  16  -1.642   8.134  -0.628
   95    HD3  PRO  16           HD3      PRO  16  -1.758   9.635   0.391
   96    H    THR  17           H        THR  17  -1.814   6.475   4.966
   97    HA   THR  17           HA       THR  17  -0.362   3.988   4.345
   98    HB   THR  17           HB       THR  17   0.948   5.494   5.598
   99    HG1  THR  17           HG1      THR  17   1.376   3.678   6.615
  100   HG21  THR  17          HG21      THR  17  -1.409   5.637   7.604
  101   HG22  THR  17          HG22      THR  17  -0.920   6.978   6.481
  102   HG23  THR  17          HG23      THR  17   0.191   6.438   7.770
  103    H    VAL  18           H        VAL  18  -3.308   4.475   4.238
  104    HA   VAL  18           HA       VAL  18  -4.124   2.282   6.084
  105    HB   VAL  18           HB       VAL  18  -5.843   4.670   5.226
  106   HG11  VAL  18          HG11      VAL  18  -6.480   2.741   7.524
  107   HG12  VAL  18          HG12      VAL  18  -6.857   2.186   5.871
  108   HG13  VAL  18          HG13      VAL  18  -7.604   3.689   6.494
  109   HG21  VAL  18          HG21      VAL  18  -4.385   3.991   7.862
  110   HG22  VAL  18          HG22      VAL  18  -5.669   5.246   7.732
  111   HG23  VAL  18          HG23      VAL  18  -4.115   5.442   6.840
  112    H    CYS  19           H        CYS  19  -4.854   0.535   4.946
  113    HA   CYS  19           HA       CYS  19  -5.408   0.845   2.118
  114    HB2  CYS  19           HB2      CYS  19  -5.431  -1.480   4.084
  115    HB3  CYS  19           HB3      CYS  19  -5.875  -1.703   2.386
  116    H    ALA  20           H        ALA  20  -7.292   0.484   1.051
  117    HA   ALA  20           HA       ALA  20  -9.601   1.677   1.832
  118    HB1  ALA  20           HB1      ALA  20 -10.584   0.629  -0.165
  119    HB2  ALA  20           HB2      ALA  20  -9.488  -0.788  -0.021
  120    HB3  ALA  20           HB3      ALA  20  -8.827   0.784  -0.547
  121    H    SER  21           H        SER  21 -11.767   0.988   2.559
  122    HA   SER  21           HA       SER  21 -11.559  -0.881   4.570
  123    HB2  SER  21           HB2      SER  21 -14.197  -0.208   3.160
  124    HB3  SER  21           HB3      SER  21 -13.876  -0.481   4.924
  125    HG   SER  21           HG       SER  21 -14.095   1.737   4.471
  126    H    GLY  22           H        GLY  22 -11.743  -1.498   1.296
  127    HA2  GLY  22           HA2      GLY  22 -12.686  -4.291   1.583
  128    HA3  GLY  22           HA3      GLY  22 -12.474  -3.366   0.056
  129    H    THR  23           H        THR  23  -9.774  -2.582   1.858
  130    HA   THR  23           HA       THR  23  -8.269  -4.843   0.828
  131    HB   THR  23           HB       THR  23  -6.410  -3.476   0.092
  132    HG1  THR  23           HG1      THR  23  -6.367  -1.414   0.089
  133   HG21  THR  23          HG21      THR  23  -9.111  -2.883  -1.226
  134   HG22  THR  23          HG22      THR  23  -7.739  -3.895  -1.805
  135   HG23  THR  23          HG23      THR  23  -7.621  -2.093  -1.825
  136    H    THR  24           H        THR  24  -6.167  -5.120   1.969
  137    HA   THR  24           HA       THR  24  -6.065  -3.712   4.608
  138    HB   THR  24           HB       THR  24  -5.202  -5.930   5.563
  139    HG1  THR  24           HG1      THR  24  -6.442  -6.825   3.141
  140   HG21  THR  24          HG21      THR  24  -7.431  -5.262   6.209
  141   HG22  THR  24          HG22      THR  24  -7.600  -6.941   5.578
  142   HG23  THR  24          HG23      THR  24  -8.099  -5.550   4.567
  143    H    CYS  25           H        CYS  25  -4.003  -3.381   5.608
  144    HA   CYS  25           HA       CYS  25  -1.889  -2.963   3.683
  145    HB2  CYS  25           HB2      CYS  25  -2.103  -2.620   6.722
  146    HB3  CYS  25           HB3      CYS  25  -0.546  -2.394   5.885
  147    H    GLN  26           H        GLN  26  -0.628  -4.579   2.911
  148    HA   GLN  26           HA       GLN  26   0.483  -6.410   4.940
  149    HB2  GLN  26           HB2      GLN  26  -0.462  -7.429   2.219
  150    HB3  GLN  26           HB3      GLN  26   0.106  -8.387   3.605
  151    HG2  GLN  26           HG2      GLN  26  -1.968  -7.743   4.907
  152    HG3  GLN  26           HG3      GLN  26  -2.543  -6.765   3.507
  153   HE21  GLN  26          HE21      GLN  26  -4.470  -8.154   3.539
  154   HE22  GLN  26          HE22      GLN  26  -4.378  -9.701   2.756
  155    H    VAL  27           H        VAL  27   2.378  -7.646   3.997
  156    HA   VAL  27           HA       VAL  27   3.994  -5.679   2.519
  157    HB   VAL  27           HB       VAL  27   4.679  -7.917   4.437
  158   HG11  VAL  27          HG11      VAL  27   6.377  -8.098   2.676
  159   HG12  VAL  27          HG12      VAL  27   7.105  -7.157   4.020
  160   HG13  VAL  27          HG13      VAL  27   6.517  -6.297   2.554
  161   HG21  VAL  27          HG21      VAL  27   5.746  -5.950   5.642
  162   HG22  VAL  27          HG22      VAL  27   3.975  -5.716   5.426
  163   HG23  VAL  27          HG23      VAL  27   5.139  -4.847   4.364
  164    H    LEU  28           H        LEU  28   4.572  -6.002   0.443
  165    HA   LEU  28           HA       LEU  28   4.420  -8.757  -0.625
  166    HB2  LEU  28           HB2      LEU  28   3.170  -7.180  -1.876
  167    HB3  LEU  28           HB3      LEU  28   4.433  -5.928  -1.801
  168    HG   LEU  28           HG       LEU  28   5.770  -7.058  -3.516
  169   HD11  LEU  28          HD11      LEU  28   5.908  -9.293  -3.265
  170   HD12  LEU  28          HD12      LEU  28   4.644  -9.290  -4.523
  171   HD13  LEU  28          HD13      LEU  28   4.178  -9.505  -2.793
  172   HD21  LEU  28          HD21      LEU  28   4.258  -5.900  -4.790
  173   HD22  LEU  28          HD22      LEU  28   2.812  -6.714  -4.068
  174   HD23  LEU  28          HD23      LEU  28   3.811  -7.538  -5.313
  175    H    ASN  29           H        ASN  29   6.635  -6.209   0.390
  176    HA   ASN  29           HA       ASN  29   8.910  -7.855   0.124
  177    HB2  ASN  29           HB2      ASN  29   9.930  -5.743  -1.542
  178    HB3  ASN  29           HB3      ASN  29   9.616  -7.442  -2.008
  179   HD21  ASN  29          HD21      ASN  29   6.954  -5.127  -1.356
  180   HD22  ASN  29          HD22      ASN  29   6.487  -5.095  -3.032
  181    HA   PRO  30           HA       PRO  30  10.024  -4.920   3.110
  182    HB2  PRO  30           HB2      PRO  30  12.859  -4.680   2.885
  183    HB3  PRO  30           HB3      PRO  30  11.994  -6.081   3.604
  184    HG2  PRO  30           HG2      PRO  30  13.278  -5.861   0.864
  185    HG3  PRO  30           HG3      PRO  30  13.085  -7.303   1.925
  186    HD2  PRO  30           HD2      PRO  30  11.483  -6.634  -0.312
  187    HD3  PRO  30           HD3      PRO  30  11.001  -7.811   0.989
  188    H    TYR  31           H        TYR  31  10.070  -3.912  -0.022
  189    HA   TYR  31           HA       TYR  31  10.680  -1.117   0.721
  190    HB2  TYR  31           HB2      TYR  31  11.461  -2.620  -1.869
  191    HB3  TYR  31           HB3      TYR  31  11.479  -0.824  -1.730
  192    HD1  TYR  31           HD2      TYR  31  12.878  -3.928  -0.107
  193    HD2  TYR  31           HD1      TYR  31  13.401   0.255  -0.893
  194    HE1  TYR  31           HE2      TYR  31  14.994  -3.960   1.172
  195    HE2  TYR  31           HE1      TYR  31  15.564   0.200   0.319
  196    HH   TYR  31           HH       TYR  31  16.667  -2.704   2.041
  197    H    TYR  32           H        TYR  32   8.222  -3.162   0.080
  198    HA   TYR  32           HA       TYR  32   6.535  -1.082  -0.788
  199    HB2  TYR  32           HB2      TYR  32   7.241  -1.266  -2.992
  200    HB3  TYR  32           HB3      TYR  32   7.335  -3.004  -2.997
  201    HD1  TYR  32           HD2      TYR  32   5.251  -0.124  -3.381
  202    HD2  TYR  32           HD1      TYR  32   5.132  -4.401  -3.327
  203    HE1  TYR  32           HE2      TYR  32   2.903  -0.081  -4.164
  204    HE2  TYR  32           HE1      TYR  32   2.851  -4.348  -4.192
  205    HH   TYR  32           HH       TYR  32   1.195  -1.401  -5.040
  206    H    SER  33           H        SER  33   4.943  -1.189   0.584
  207    HA   SER  33           HA       SER  33   3.828  -3.825   1.263
  208    HB2  SER  33           HB2      SER  33   3.396  -1.155   2.712
  209    HB3  SER  33           HB3      SER  33   2.812  -2.762   3.237
  210    HG   SER  33           HG       SER  33   5.074  -3.349   3.381
  211    H    GLN  34           H        GLN  34   1.812  -4.241   0.675
  212    HA   GLN  34           HA       GLN  34   0.698  -2.322  -1.245
  213    HB2  GLN  34           HB2      GLN  34   1.737  -4.348  -2.148
  214    HB3  GLN  34           HB3      GLN  34   0.707  -5.394  -1.134
  215    HG2  GLN  34           HG2      GLN  34  -1.324  -4.679  -2.365
  216    HG3  GLN  34           HG3      GLN  34  -0.397  -3.395  -3.217
  217   HE21  GLN  34          HE21      GLN  34   0.410  -3.968  -5.228
  218   HE22  GLN  34          HE22      GLN  34   0.429  -5.620  -5.825
  219    H    CYS  35           H        CYS  35  -1.578  -2.218  -1.409
  220    HA   CYS  35           HA       CYS  35  -3.086  -3.053   0.980
  221    HB2  CYS  35           HB2      CYS  35  -3.511  -1.152  -1.381
  222    HB3  CYS  35           HB3      CYS  35  -4.911  -1.601  -0.367
  223    H    LEU  36           H        LEU  36  -4.070  -4.976   1.008
  224    HA   LEU  36           HA       LEU  36  -4.884  -6.099  -1.585
  225    HB2  LEU  36           HB2      LEU  36  -4.158  -7.377   1.097
  226    HB3  LEU  36           HB3      LEU  36  -4.751  -8.285  -0.329
  227    HG   LEU  36           HG       LEU  36  -2.417  -8.584  -0.295
  228   HD11  LEU  36          HD11      LEU  36  -3.582  -7.905  -2.535
  229   HD12  LEU  36          HD12      LEU  36  -1.782  -7.774  -2.496
  230   HD13  LEU  36          HD13      LEU  36  -2.802  -6.297  -2.338
  231   HD21  LEU  36          HD21      LEU  36  -2.018  -6.431   1.180
  232   HD22  LEU  36          HD22      LEU  36  -1.792  -5.595  -0.378
  233   HD23  LEU  36          HD23      LEU  36  -0.710  -6.958   0.038
  234    H1   MAN 101           H1       MAN  37  -9.505   2.824   0.230
  235    H2   MAN 101           H2       MAN  37  -7.723   4.130  -0.779
  236    H3   MAN 101           H3       MAN  37  -8.620   6.289  -0.050
  237    H4   MAN 101           H4       MAN  37 -10.614   5.912  -2.307
  238    H5   MAN 101           H5       MAN  37 -11.036   6.080   0.734
  239    H61  MAN 101           H61      MAN  37 -12.917   5.288  -1.556
  240    H62  MAN 101           H62      MAN  37 -12.915   6.865  -0.686
  241    HO2  MAN 101           HO2      MAN  37  -9.306   2.824  -2.094
  242    HO3  MAN 101           HO3      MAN  37  -8.066   6.179  -2.843
  243    HO4  MAN 101           HO4      MAN  37 -10.169   8.076  -2.038
  244    HO6  MAN 101           HO6      MAN  37 -13.022   4.566   0.927
  245    H1   MAN 102           H1       MAN  38  -6.472   3.776  -7.068
  246    H2   MAN 102           H2       MAN  38  -4.829   1.890  -7.234
  247    H3   MAN 102           H3       MAN  38  -3.518   2.554  -5.252
  248    H4   MAN 102           H4       MAN  38  -2.437   4.774  -7.035
  249    H5   MAN 102           H5       MAN  38  -4.149   5.001  -4.497
  250    H61  MAN 102           H61      MAN  38  -3.290   7.076  -6.577
  251    H62  MAN 102           H62      MAN  38  -2.586   6.883  -4.923
  252    HO2  MAN 102           HO2      MAN  38  -3.509   2.798  -8.849
  253    HO3  MAN 102           HO3      MAN  38  -2.400   1.165  -6.561
  254    HO4  MAN 102           HO4      MAN  38  -0.869   4.663  -5.636
  255    HO6  MAN 102           HO6      MAN  38  -4.330   8.512  -5.144
  256    H1   MAN 103           H1       MAN  39   7.992  11.395   0.229
  257    H2   MAN 103           H2       MAN  39   6.255  12.567  -1.169
  258    H3   MAN 103           H3       MAN  39   6.063  10.721  -2.838
  259    H4   MAN 103           H4       MAN  39   8.777  11.744  -3.786
  260    H5   MAN 103           H5       MAN  39   7.906   9.055  -2.570
  261    H61  MAN 103           H61      MAN  39  10.644  10.138  -3.431
  262    H62  MAN 103           H62      MAN  39   9.722   8.804  -4.207
  263    HO2  MAN 103           HO2      MAN  39   8.902  12.997  -1.243
  264    HO3  MAN 103           HO3      MAN  39   5.275  12.717  -3.516
  265    HO4  MAN 103           HO4      MAN  39   7.304  11.062  -5.416
  266    HO6  MAN 103           HO6      MAN  39   9.858   7.747  -2.037
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -6.889   7.662   1.207
    2    H2   THR   1           H2       THR   1  -7.398   7.392   2.832
    3    H3   THR   1           H3       THR   1  -8.323   6.809   1.535
    4    HA   THR   1           HA       THR   1  -6.004   5.581   2.684
    5    HB   THR   1           HB       THR   1  -7.295   3.579   1.343
    6   HG21  THR   1          HG21      THR   1  -7.261   3.852   3.776
    7   HG22  THR   1          HG22      THR   1  -8.936   3.505   3.266
    8   HG23  THR   1          HG23      THR   1  -8.469   5.171   3.740
    9    H    GLN   2           H        GLN   2  -5.055   3.675   1.003
   10    HA   GLN   2           HA       GLN   2  -3.993   5.196  -1.231
   11    HB2  GLN   2           HB2      GLN   2  -2.545   3.794   0.358
   12    HB3  GLN   2           HB3      GLN   2  -3.298   2.327  -0.255
   13    HG2  GLN   2           HG2      GLN   2  -1.247   2.733  -1.555
   14    HG3  GLN   2           HG3      GLN   2  -2.535   3.090  -2.709
   15   HE21  GLN   2          HE21      GLN   2  -0.403   4.631  -0.324
   16   HE22  GLN   2          HE22      GLN   2  -0.653   6.258  -0.878
   17    H    SER   3           H        SER   3  -4.306   1.660  -1.617
   18    HA   SER   3           HA       SER   3  -6.678   1.796  -3.001
   19    HB2  SER   3           HB2      SER   3  -5.200   2.827  -4.918
   20    HB3  SER   3           HB3      SER   3  -4.247   1.305  -4.884
   21    H    HIS   4           H        HIS   4  -7.016  -0.440  -4.221
   22    HA   HIS   4           HA       HIS   4  -6.021  -2.575  -2.512
   23    HB2  HIS   4           HB2      HIS   4  -8.446  -2.595  -3.427
   24    HB3  HIS   4           HB3      HIS   4  -7.767  -2.725  -5.077
   25    HD1  HIS   4           HD1      HIS   4  -9.303  -5.061  -4.724
   26    HD2  HIS   4           HD2      HIS   4  -5.652  -4.869  -2.664
   27    HE1  HIS   4           HE1      HIS   4  -8.709  -7.438  -4.049
   28    HE2  HIS   4           HE2      HIS   4  -6.593  -7.238  -2.660
   29    H    TYR   5           H        TYR   5  -4.025  -3.138  -2.913
   30    HA   TYR   5           HA       TYR   5  -2.220  -3.744  -3.990
   31    HB2  TYR   5           HB2      TYR   5  -3.347  -3.155  -6.765
   32    HB3  TYR   5           HB3      TYR   5  -1.949  -4.192  -6.364
   33    HD1  TYR   5           HD1      TYR   5  -2.698  -6.106  -4.418
   34    HD2  TYR   5           HD2      TYR   5  -5.238  -4.278  -7.355
   35    HE1  TYR   5           HE1      TYR   5  -4.157  -8.073  -4.353
   36    HE2  TYR   5           HE2      TYR   5  -6.764  -6.228  -7.234
   37    HH   TYR   5           HH       TYR   5  -5.877  -9.167  -5.562
   38    H    GLY   6           H        GLY   6  -3.226  -0.870  -3.437
   39    HA2  GLY   6           HA2      GLY   6  -1.004   0.559  -4.796
   40    HA3  GLY   6           HA3      GLY   6  -2.270   1.242  -3.716
   41    H    GLN   7           H        GLN   7   0.472   1.827  -3.282
   42    HA   GLN   7           HA       GLN   7   1.313   0.027  -1.163
   43    HB2  GLN   7           HB2      GLN   7   2.965   0.821  -2.771
   44    HB3  GLN   7           HB3      GLN   7   2.520   2.509  -2.457
   45    HG2  GLN   7           HG2      GLN   7   3.638   2.584  -0.317
   46    HG3  GLN   7           HG3      GLN   7   3.288   0.872  -0.034
   47   HE21  GLN   7          HE21      GLN   7   5.124   1.879  -2.996
   48   HE22  GLN   7          HE22      GLN   7   6.483   0.925  -2.441
   49    H    CYS   8           H        CYS   8   1.113   0.368   1.071
   50    HA   CYS   8           HA       CYS   8   0.581   3.196   1.903
   51    HB2  CYS   8           HB2      CYS   8  -0.465   2.341   3.909
   52    HB3  CYS   8           HB3      CYS   8  -1.225   1.663   2.452
   53    H    GLY   9           H        GLY   9   3.155   0.974   1.810
   54    HA2  GLY   9           HA2      GLY   9   4.627   2.592   3.755
   55    HA3  GLY   9           HA3      GLY   9   4.267   0.889   4.221
   56    H    GLY  10           H        GLY  10   6.109   2.970   2.020
   57    HA2  GLY  10           HA2      GLY  10   7.634   0.546   1.149
   58    HA3  GLY  10           HA3      GLY  10   7.227   1.936   0.097
   59    H    ILE  11           H        ILE  11   9.802   1.033   0.384
   60    HA   ILE  11           HA       ILE  11  11.247   2.669   2.173
   61    HB   ILE  11           HB       ILE  11  11.831   1.156  -0.356
   62   HG12  ILE  11          HG12      ILE  11  11.612   0.313   2.203
   63   HG13  ILE  11          HG13      ILE  11  12.784  -0.398   1.070
   64   HG21  ILE  11          HG21      ILE  11  14.320   1.803  -0.037
   65   HG22  ILE  11          HG22      ILE  11  13.749   3.162   0.997
   66   HG23  ILE  11          HG23      ILE  11  13.278   3.081  -0.738
   67   HD11  ILE  11          HD11      ILE  11  14.650   0.811   2.017
   68   HD12  ILE  11          HD12      ILE  11  13.709   0.147   3.393
   69   HD13  ILE  11          HD13      ILE  11  13.566   1.895   2.974
   70    H    GLY  12           H        GLY  12  10.096   3.259  -1.102
   71    HA2  GLY  12           HA2      GLY  12  10.954   6.099  -0.881
   72    HA3  GLY  12           HA3      GLY  12  10.884   5.147  -2.407
   73    H    TYR  13           H        TYR  13   8.496   5.080   0.234
   74    HA   TYR  13           HA       TYR  13   6.569   6.160  -1.744
   75    HB2  TYR  13           HB2      TYR  13   6.354   3.664  -0.913
   76    HB3  TYR  13           HB3      TYR  13   5.801   4.379   0.650
   77    HD1  TYR  13           HD2      TYR  13   5.279   4.243  -3.024
   78    HD2  TYR  13           HD1      TYR  13   3.600   5.438   0.755
   79    HE1  TYR  13           HE2      TYR  13   3.124   4.766  -4.147
   80    HE2  TYR  13           HE1      TYR  13   1.491   5.948  -0.343
   81    HH   TYR  13           HH       TYR  13   0.256   5.514  -2.529
   82    H    SER  14           H        SER  14   5.290   7.846  -1.174
   83    HA   SER  14           HA       SER  14   5.379   8.784   1.638
   84    HB2  SER  14           HB2      SER  14   5.558  10.934  -0.488
   85    HB3  SER  14           HB3      SER  14   6.402  10.805   1.118
   86    H    GLY  15           H        GLY  15   3.403   7.804  -0.732
   87    HA2  GLY  15           HA2      GLY  15   1.446   9.960  -0.702
   88    HA3  GLY  15           HA3      GLY  15   1.340   8.327  -1.465
   89    HA   PRO  16           HA       PRO  16  -1.511   8.464   2.182
   90    HB2  PRO  16           HB2      PRO  16  -2.715   6.269   0.433
   91    HB3  PRO  16           HB3      PRO  16  -3.571   7.531   1.384
   92    HG2  PRO  16           HG2      PRO  16  -3.155   7.660  -1.389
   93    HG3  PRO  16           HG3      PRO  16  -3.309   9.131  -0.352
   94    HD2  PRO  16           HD2      PRO  16  -0.867   7.986  -1.660
   95    HD3  PRO  16           HD3      PRO  16  -1.151   9.661  -1.017
   96    H    THR  17           H        THR  17  -1.477   7.276   4.051
   97    HA   THR  17           HA       THR  17   0.137   4.795   3.984
   98    HB   THR  17           HB       THR  17   1.214   6.618   5.106
   99    HG1  THR  17           HG1      THR  17   0.136   4.618   6.778
  100   HG21  THR  17          HG21      THR  17  -0.163   8.231   5.966
  101   HG22  THR  17          HG22      THR  17  -0.259   7.203   7.430
  102   HG23  THR  17          HG23      THR  17  -1.559   7.115   6.203
  103    H    VAL  18           H        VAL  18  -2.870   4.999   3.612
  104    HA   VAL  18           HA       VAL  18  -3.647   3.197   5.845
  105    HB   VAL  18           HB       VAL  18  -5.392   5.459   4.731
  106   HG11  VAL  18          HG11      VAL  18  -7.188   4.595   5.979
  107   HG12  VAL  18          HG12      VAL  18  -6.127   3.988   7.284
  108   HG13  VAL  18          HG13      VAL  18  -6.355   3.025   5.808
  109   HG21  VAL  18          HG21      VAL  18  -5.215   6.459   7.011
  110   HG22  VAL  18          HG22      VAL  18  -3.578   6.312   6.285
  111   HG23  VAL  18          HG23      VAL  18  -4.117   5.127   7.521
  112    H    CYS  19           H        CYS  19  -4.639   1.352   5.069
  113    HA   CYS  19           HA       CYS  19  -5.120   1.197   2.221
  114    HB2  CYS  19           HB2      CYS  19  -5.411  -0.756   4.540
  115    HB3  CYS  19           HB3      CYS  19  -5.712  -1.198   2.847
  116    H    ALA  20           H        ALA  20  -7.019   0.577   1.231
  117    HA   ALA  20           HA       ALA  20  -9.171   2.227   1.640
  118    HB1  ALA  20           HB1      ALA  20  -8.388   0.938  -0.528
  119    HB2  ALA  20           HB2      ALA  20 -10.160   0.975  -0.241
  120    HB3  ALA  20           HB3      ALA  20  -9.204  -0.486   0.179
  121    H    SER  21           H        SER  21 -11.424   1.803   2.079
  122    HA   SER  21           HA       SER  21 -11.724   0.434   4.514
  123    HB2  SER  21           HB2      SER  21 -13.241   2.191   2.827
  124    HB3  SER  21           HB3      SER  21 -14.315   0.784   3.080
  125    HG   SER  21           HG       SER  21 -14.391   1.263   5.179
  126    H    GLY  22           H        GLY  22 -11.162  -1.050   1.729
  127    HA2  GLY  22           HA2      GLY  22 -12.500  -3.557   2.483
  128    HA3  GLY  22           HA3      GLY  22 -12.354  -3.008   0.769
  129    H    THR  23           H        THR  23  -9.591  -2.010   2.557
  130    HA   THR  23           HA       THR  23  -8.169  -4.436   1.828
  131    HB   THR  23           HB       THR  23  -6.323  -3.306   0.809
  132    HG1  THR  23           HG1      THR  23  -6.022  -1.400   0.766
  133   HG21  THR  23          HG21      THR  23  -7.521  -3.941  -1.006
  134   HG22  THR  23          HG22      THR  23  -7.664  -2.157  -1.262
  135   HG23  THR  23          HG23      THR  23  -9.015  -3.070  -0.524
  136    H    THR  24           H        THR  24  -6.081  -4.657   2.893
  137    HA   THR  24           HA       THR  24  -5.711  -2.863   5.248
  138    HB   THR  24           HB       THR  24  -6.817  -5.292   5.403
  139    HG1  THR  24           HG1      THR  24  -6.607  -4.600   7.305
  140   HG21  THR  24          HG21      THR  24  -4.805  -6.406   4.324
  141   HG22  THR  24          HG22      THR  24  -5.239  -7.052   5.953
  142   HG23  THR  24          HG23      THR  24  -3.820  -5.960   5.783
  143    H    CYS  25           H        CYS  25  -3.474  -2.758   6.136
  144    HA   CYS  25           HA       CYS  25  -1.559  -2.684   3.950
  145    HB2  CYS  25           HB2      CYS  25  -1.346  -2.006   6.930
  146    HB3  CYS  25           HB3      CYS  25   0.116  -2.084   5.904
  147    H    GLN  26           H        GLN  26  -0.336  -4.355   3.248
  148    HA   GLN  26           HA       GLN  26   0.654  -6.219   5.305
  149    HB2  GLN  26           HB2      GLN  26  -0.365  -7.195   2.590
  150    HB3  GLN  26           HB3      GLN  26   0.147  -8.185   3.983
  151    HG2  GLN  26           HG2      GLN  26  -1.878  -7.374   5.286
  152    HG3  GLN  26           HG3      GLN  26  -2.385  -6.408   3.852
  153   HE21  GLN  26          HE21      GLN  26  -4.091  -8.300   4.903
  154   HE22  GLN  26          HE22      GLN  26  -4.322  -9.500   3.659
  155    H    VAL  27           H        VAL  27   2.624  -7.191   4.797
  156    HA   VAL  27           HA       VAL  27   4.226  -5.592   2.976
  157    HB   VAL  27           HB       VAL  27   4.832  -7.705   5.059
  158   HG11  VAL  27          HG11      VAL  27   6.539  -8.116   3.396
  159   HG12  VAL  27          HG12      VAL  27   7.303  -6.975   4.558
  160   HG13  VAL  27          HG13      VAL  27   6.684  -6.360   2.984
  161   HG21  VAL  27          HG21      VAL  27   4.318  -4.896   5.206
  162   HG22  VAL  27          HG22      VAL  27   6.102  -4.996   5.185
  163   HG23  VAL  27          HG23      VAL  27   5.167  -5.888   6.444
  164    H    LEU  28           H        LEU  28   4.527  -6.132   0.897
  165    HA   LEU  28           HA       LEU  28   4.448  -9.007   0.158
  166    HB2  LEU  28           HB2      LEU  28   2.944  -7.810  -1.149
  167    HB3  LEU  28           HB3      LEU  28   3.971  -6.358  -1.249
  168    HG   LEU  28           HG       LEU  28   5.280  -7.224  -3.020
  169   HD11  LEU  28          HD11      LEU  28   4.492  -9.802  -3.775
  170   HD12  LEU  28          HD12      LEU  28   4.702  -9.913  -1.986
  171   HD13  LEU  28          HD13      LEU  28   6.039  -9.298  -3.018
  172   HD21  LEU  28          HD21      LEU  28   3.756  -7.036  -4.633
  173   HD22  LEU  28          HD22      LEU  28   2.544  -6.900  -3.301
  174   HD23  LEU  28          HD23      LEU  28   2.828  -8.482  -4.100
  175    H    ASN  29           H        ASN  29   6.590  -6.292   0.731
  176    HA   ASN  29           HA       ASN  29   8.905  -7.813   0.225
  177    HB2  ASN  29           HB2      ASN  29   9.629  -5.876  -1.707
  178    HB3  ASN  29           HB3      ASN  29   9.162  -7.571  -2.038
  179   HD21  ASN  29          HD21      ASN  29   6.590  -5.338  -1.049
  180   HD22  ASN  29          HD22      ASN  29   5.919  -5.243  -2.627
  181    HA   PRO  30           HA       PRO  30  10.237  -4.567   2.810
  182    HB2  PRO  30           HB2      PRO  30  13.033  -4.447   2.323
  183    HB3  PRO  30           HB3      PRO  30  12.210  -5.762   3.231
  184    HG2  PRO  30           HG2      PRO  30  13.275  -5.818   0.397
  185    HG3  PRO  30           HG3      PRO  30  13.111  -7.159   1.588
  186    HD2  PRO  30           HD2      PRO  30  11.351  -6.523  -0.585
  187    HD3  PRO  30           HD3      PRO  30  11.001  -7.694   0.764
  188    H    TYR  31           H        TYR  31   9.881  -3.931  -0.347
  189    HA   TYR  31           HA       TYR  31  10.606  -1.089  -0.039
  190    HB2  TYR  31           HB2      TYR  31  11.048  -2.852  -2.551
  191    HB3  TYR  31           HB3      TYR  31  11.197  -1.057  -2.533
  192    HD1  TYR  31           HD2      TYR  31  12.636  -4.215  -1.122
  193    HD2  TYR  31           HD1      TYR  31  13.170  -0.002  -1.716
  194    HE1  TYR  31           HE2      TYR  31  14.949  -4.381  -0.231
  195    HE2  TYR  31           HE1      TYR  31  15.473  -0.171  -0.819
  196    HH   TYR  31           HH       TYR  31  17.030  -3.217  -0.251
  197    H    TYR  32           H        TYR  32   8.140  -3.153  -0.019
  198    HA   TYR  32           HA       TYR  32   6.368  -1.357  -1.131
  199    HB2  TYR  32           HB2      TYR  32   6.747  -1.696  -3.258
  200    HB3  TYR  32           HB3      TYR  32   7.051  -3.405  -3.132
  201    HD1  TYR  32           HD2      TYR  32   4.486  -0.901  -2.463
  202    HD2  TYR  32           HD1      TYR  32   5.132  -4.844  -3.993
  203    HE1  TYR  32           HE2      TYR  32   2.103  -1.014  -3.170
  204    HE2  TYR  32           HE1      TYR  32   2.754  -4.951  -4.661
  205    HH   TYR  32           HH       TYR  32   1.130  -3.140  -5.435
  206    H    SER  33           H        SER  33   5.128  -1.214   0.683
  207    HA   SER  33           HA       SER  33   3.847  -3.741   1.598
  208    HB2  SER  33           HB2      SER  33   3.730  -1.028   2.942
  209    HB3  SER  33           HB3      SER  33   2.752  -2.451   3.424
  210    HG   SER  33           HG       SER  33   5.050  -1.951   4.342
  211    H    GLN  34           H        GLN  34   2.103  -4.286   0.693
  212    HA   GLN  34           HA       GLN  34   0.689  -2.436  -1.034
  213    HB2  GLN  34           HB2      GLN  34   1.623  -4.617  -1.800
  214    HB3  GLN  34           HB3      GLN  34   0.602  -5.492  -0.625
  215    HG2  GLN  34           HG2      GLN  34  -1.456  -4.826  -1.833
  216    HG3  GLN  34           HG3      GLN  34  -0.545  -3.634  -2.794
  217   HE21  GLN  34          HE21      GLN  34  -0.267  -4.379  -4.846
  218   HE22  GLN  34          HE22      GLN  34  -0.110  -6.068  -5.328
  219    H    CYS  35           H        CYS  35  -1.619  -2.389  -1.007
  220    HA   CYS  35           HA       CYS  35  -2.866  -2.906   1.620
  221    HB2  CYS  35           HB2      CYS  35  -3.146  -1.044  -0.719
  222    HB3  CYS  35           HB3      CYS  35  -4.627  -1.306   0.260
  223    H    LEU  36           H        LEU  36  -4.030  -4.812   1.713
  224    HA   LEU  36           HA       LEU  36  -5.287  -5.794  -0.765
  225    HB2  LEU  36           HB2      LEU  36  -4.159  -7.363   1.627
  226    HB3  LEU  36           HB3      LEU  36  -4.958  -8.071   0.195
  227    HG   LEU  36           HG       LEU  36  -2.661  -8.414  -0.134
  228   HD11  LEU  36          HD11      LEU  36  -3.303  -5.862  -1.762
  229   HD12  LEU  36          HD12      LEU  36  -4.073  -7.451  -2.069
  230   HD13  LEU  36          HD13      LEU  36  -2.290  -7.262  -2.265
  231   HD21  LEU  36          HD21      LEU  36  -0.870  -6.968   0.330
  232   HD22  LEU  36          HD22      LEU  36  -2.074  -6.468   1.579
  233   HD23  LEU  36          HD23      LEU  36  -1.862  -5.486   0.124
  234    H1   MAN 101           H1       MAN  37  -9.066   3.162  -0.057
  235    H2   MAN 101           H2       MAN  37  -7.193   4.301  -0.955
  236    H3   MAN 101           H3       MAN  37  -8.006   6.644  -0.598
  237    H4   MAN 101           H4       MAN  37  -9.825   6.051  -2.957
  238    H5   MAN 101           H5       MAN  37 -10.528   6.484   0.008
  239    H61  MAN 101           H61      MAN  37 -12.160   5.606  -2.436
  240    H62  MAN 101           H62      MAN  37 -12.284   7.169  -1.554
  241    HO2  MAN 101           HO2      MAN  37  -9.377   3.706  -2.553
  242    HO3  MAN 101           HO3      MAN  37  -6.870   5.735  -2.940
  243    HO4  MAN 101           HO4      MAN  37  -9.064   8.196  -2.663
  244    HO6  MAN 101           HO6      MAN  37 -12.739   5.614   0.369
  245    H1   MAN 102           H1       MAN  38  -6.711   2.781  -6.665
  246    H2   MAN 102           H2       MAN  38  -7.511   3.035  -4.375
  247    H3   MAN 102           H3       MAN  38  -8.147   0.750  -3.833
  248    H4   MAN 102           H4       MAN  38 -10.370   0.943  -5.846
  249    H5   MAN 102           H5       MAN  38  -7.751  -0.647  -6.105
  250    H61  MAN 102           H61      MAN  38 -10.037  -0.055  -8.055
  251    H62  MAN 102           H62      MAN  38  -9.883  -1.582  -7.108
  252    HO2  MAN 102           HO2      MAN  38  -8.664   4.282  -5.738
  253    HO3  MAN 102           HO3      MAN  38 -10.470   2.302  -3.797
  254    HO4  MAN 102           HO4      MAN  38 -10.776  -0.527  -4.196
  255    HO6  MAN 102           HO6      MAN  38  -8.870  -1.301  -9.421
  256    H1   MAN 103           H1       MAN  39   8.624  11.184   0.307
  257    H2   MAN 103           H2       MAN  39   6.904  12.487  -0.947
  258    H3   MAN 103           H3       MAN  39   6.446  10.664  -2.588
  259    H4   MAN 103           H4       MAN  39   9.080  11.579  -3.831
  260    H5   MAN 103           H5       MAN  39   8.326   8.899  -2.530
  261    H61  MAN 103           H61      MAN  39  10.991  10.016  -3.584
  262    H62  MAN 103           H62      MAN  39  10.026   8.678  -4.302
  263    HO2  MAN 103           HO2      MAN  39   9.557  12.592  -1.959
  264    HO3  MAN 103           HO3      MAN  39   6.107  12.053  -4.336
  265    HO4  MAN 103           HO4      MAN  39   7.533   9.331  -4.661
  266    HO6  MAN 103           HO6      MAN  39  10.372   8.032  -1.778
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -7.193   6.672   3.237
    2    H2   THR   1           H2       THR   1  -8.390   6.124   2.155
    3    H3   THR   1           H3       THR   1  -6.988   6.873   1.541
    4    HA   THR   1           HA       THR   1  -6.076   4.734   2.971
    5    HB   THR   1           HB       THR   1  -7.569   2.901   1.520
    6   HG21  THR   1          HG21      THR   1  -8.369   4.230   4.203
    7   HG22  THR   1          HG22      THR   1  -7.354   2.789   3.928
    8   HG23  THR   1          HG23      THR   1  -9.095   2.714   3.558
    9    H    GLN   2           H        GLN   2  -5.365   2.837   1.164
   10    HA   GLN   2           HA       GLN   2  -4.963   4.177  -1.426
   11    HB2  GLN   2           HB2      GLN   2  -3.053   2.806   0.248
   12    HB3  GLN   2           HB3      GLN   2  -3.400   1.646  -1.048
   13    HG2  GLN   2           HG2      GLN   2  -1.598   3.086  -1.886
   14    HG3  GLN   2           HG3      GLN   2  -3.058   3.542  -2.787
   15   HE21  GLN   2          HE21      GLN   2  -1.190   4.330   0.175
   16   HE22  GLN   2          HE22      GLN   2  -1.675   6.006   0.251
   17    H    SER   3           H        SER   3  -5.108   2.733  -3.314
   18    HA   SER   3           HA       SER   3  -7.536   1.269  -3.180
   19    HB2  SER   3           HB2      SER   3  -5.849   0.927  -5.654
   20    HB3  SER   3           HB3      SER   3  -7.555   1.532  -5.498
   21    H    HIS   4           H        HIS   4  -7.672  -0.951  -4.416
   22    HA   HIS   4           HA       HIS   4  -6.089  -2.872  -3.070
   23    HB2  HIS   4           HB2      HIS   4  -8.384  -3.146  -4.361
   24    HB3  HIS   4           HB3      HIS   4  -7.378  -3.391  -5.824
   25    HD1  HIS   4           HD1      HIS   4  -9.218  -5.592  -4.748
   26    HD2  HIS   4           HD2      HIS   4  -5.241  -5.296  -3.443
   27    HE1  HIS   4           HE1      HIS   4  -8.533  -7.878  -3.938
   28    HE2  HIS   4           HE2      HIS   4  -6.236  -7.559  -2.965
   29    H    TYR   5           H        TYR   5  -4.126  -3.643  -3.416
   30    HA   TYR   5           HA       TYR   5  -2.229  -4.091  -4.161
   31    HB2  TYR   5           HB2      TYR   5  -3.019  -3.535  -7.053
   32    HB3  TYR   5           HB3      TYR   5  -1.635  -4.519  -6.474
   33    HD1  TYR   5           HD1      TYR   5  -2.083  -6.776  -5.345
   34    HD2  TYR   5           HD2      TYR   5  -5.198  -4.397  -7.100
   35    HE1  TYR   5           HE1      TYR   5  -3.570  -8.753  -5.389
   36    HE2  TYR   5           HE2      TYR   5  -6.710  -6.358  -7.084
   37    HH   TYR   5           HH       TYR   5  -5.596  -9.574  -6.372
   38    H    GLY   6           H        GLY   6  -3.313  -1.234  -3.697
   39    HA2  GLY   6           HA2      GLY   6  -1.247   0.384  -4.964
   40    HA3  GLY   6           HA3      GLY   6  -2.512   0.882  -3.774
   41    H    GLN   7           H        GLN   7  -0.222   2.024  -3.199
   42    HA   GLN   7           HA       GLN   7   1.252   0.225  -1.416
   43    HB2  GLN   7           HB2      GLN   7   2.355   1.670  -3.161
   44    HB3  GLN   7           HB3      GLN   7   1.821   3.111  -2.277
   45    HG2  GLN   7           HG2      GLN   7   3.227   2.589  -0.347
   46    HG3  GLN   7           HG3      GLN   7   3.301   0.863  -0.822
   47   HE21  GLN   7          HE21      GLN   7   5.540   1.133  -0.452
   48   HE22  GLN   7          HE22      GLN   7   6.551   1.529  -1.854
   49    H    CYS   8           H        CYS   8   0.611   0.116   0.756
   50    HA   CYS   8           HA       CYS   8  -0.479   2.602   1.996
   51    HB2  CYS   8           HB2      CYS   8  -0.804   1.021   4.012
   52    HB3  CYS   8           HB3      CYS   8  -1.774   0.751   2.566
   53    H    GLY   9           H        GLY   9   2.498   1.042   1.524
   54    HA2  GLY   9           HA2      GLY   9   3.799   2.801   3.403
   55    HA3  GLY   9           HA3      GLY   9   3.790   1.049   3.877
   56    H    GLY  10           H        GLY  10   6.176   2.697   3.120
   57    HA2  GLY  10           HA2      GLY  10   7.291   0.778   1.335
   58    HA3  GLY  10           HA3      GLY  10   6.979   2.400   0.557
   59    H    ILE  11           H        ILE  11   9.565   1.542   0.727
   60    HA   ILE  11           HA       ILE  11  10.783   2.781   3.000
   61    HB   ILE  11           HB       ILE  11  11.641   1.678   0.358
   62   HG12  ILE  11          HG12      ILE  11  11.333   0.553   2.788
   63   HG13  ILE  11          HG13      ILE  11  12.622   0.044   1.671
   64   HG21  ILE  11          HG21      ILE  11  12.973   3.716   0.272
   65   HG22  ILE  11          HG22      ILE  11  14.054   2.417   0.868
   66   HG23  ILE  11          HG23      ILE  11  13.381   3.610   2.024
   67   HD11  ILE  11          HD11      ILE  11  13.355   0.365   4.091
   68   HD12  ILE  11          HD12      ILE  11  13.146   2.142   3.857
   69   HD13  ILE  11          HD13      ILE  11  14.342   1.220   2.861
   70    H    GLY  12           H        GLY  12   9.601   4.005  -0.044
   71    HA2  GLY  12           HA2      GLY  12  10.353   6.757   0.795
   72    HA3  GLY  12           HA3      GLY  12  10.598   6.138  -0.884
   73    H    TYR  13           H        TYR  13   7.840   5.147   1.030
   74    HA   TYR  13           HA       TYR  13   6.178   6.491  -0.971
   75    HB2  TYR  13           HB2      TYR  13   5.843   4.052  -0.564
   76    HB3  TYR  13           HB3      TYR  13   5.316   4.420   1.126
   77    HD1  TYR  13           HD2      TYR  13   4.707   5.321  -2.474
   78    HD2  TYR  13           HD1      TYR  13   3.017   4.951   1.473
   79    HE1  TYR  13           HE2      TYR  13   2.460   5.816  -3.389
   80    HE2  TYR  13           HE1      TYR  13   0.789   5.388   0.550
   81    HH   TYR  13           HH       TYR  13  -0.408   5.442  -1.532
   82    H    SER  14           H        SER  14   4.844   8.084  -0.549
   83    HA   SER  14           HA       SER  14   4.778   9.262   2.148
   84    HB2  SER  14           HB2      SER  14   5.135  11.467   1.260
   85    HB3  SER  14           HB3      SER  14   6.389  10.437   0.471
   86    H    GLY  15           H        GLY  15   2.730   7.579   0.707
   87    HA2  GLY  15           HA2      GLY  15   0.555   9.582   0.413
   88    HA3  GLY  15           HA3      GLY  15   0.641   7.966  -0.364
   89    HA   PRO  16           HA       PRO  16  -2.009   7.942   3.492
   90    HB2  PRO  16           HB2      PRO  16  -3.407   6.024   1.554
   91    HB3  PRO  16           HB3      PRO  16  -4.176   7.133   2.752
   92    HG2  PRO  16           HG2      PRO  16  -3.937   7.682   0.004
   93    HG3  PRO  16           HG3      PRO  16  -3.956   8.996   1.249
   94    HD2  PRO  16           HD2      PRO  16  -1.684   7.981  -0.410
   95    HD3  PRO  16           HD3      PRO  16  -1.827   9.531   0.531
   96    H    THR  17           H        THR  17  -1.745   6.609   5.220
   97    HA   THR  17           HA       THR  17  -0.191   4.190   4.781
   98    HB   THR  17           HB       THR  17   0.761   5.737   6.312
   99    HG1  THR  17           HG1      THR  17  -0.431   3.503   7.548
  100   HG21  THR  17          HG21      THR  17  -2.089   5.802   7.499
  101   HG22  THR  17          HG22      THR  17  -1.002   7.171   7.017
  102   HG23  THR  17          HG23      THR  17  -0.662   6.227   8.500
  103    H    VAL  18           H        VAL  18  -3.155   4.255   4.245
  104    HA   VAL  18           HA       VAL  18  -3.948   2.062   6.088
  105    HB   VAL  18           HB       VAL  18  -5.852   4.295   5.212
  106   HG11  VAL  18          HG11      VAL  18  -6.698   1.789   5.785
  107   HG12  VAL  18          HG12      VAL  18  -7.513   3.186   6.536
  108   HG13  VAL  18          HG13      VAL  18  -6.302   2.237   7.462
  109   HG21  VAL  18          HG21      VAL  18  -5.698   4.353   8.026
  110   HG22  VAL  18          HG22      VAL  18  -4.919   5.538   6.920
  111   HG23  VAL  18          HG23      VAL  18  -3.992   4.131   7.567
  112    H    CYS  19           H        CYS  19  -4.738   0.309   4.948
  113    HA   CYS  19           HA       CYS  19  -5.161   0.626   2.077
  114    HB2  CYS  19           HB2      CYS  19  -5.192  -1.716   4.041
  115    HB3  CYS  19           HB3      CYS  19  -5.639  -1.942   2.340
  116    H    ALA  20           H        ALA  20  -7.058   0.342   0.985
  117    HA   ALA  20           HA       ALA  20  -9.343   1.484   1.864
  118    HB1  ALA  20           HB1      ALA  20 -10.418   0.503  -0.119
  119    HB2  ALA  20           HB2      ALA  20  -9.387  -0.961  -0.024
  120    HB3  ALA  20           HB3      ALA  20  -8.685   0.585  -0.571
  121    H    SER  21           H        SER  21 -11.458   0.864   2.649
  122    HA   SER  21           HA       SER  21 -11.224  -1.140   4.592
  123    HB2  SER  21           HB2      SER  21 -13.255   0.760   3.681
  124    HB3  SER  21           HB3      SER  21 -14.056  -0.782   4.113
  125    HG   SER  21           HG       SER  21 -12.879  -0.680   6.107
  126    H    GLY  22           H        GLY  22 -11.587  -1.662   1.337
  127    HA2  GLY  22           HA2      GLY  22 -12.599  -4.425   1.685
  128    HA3  GLY  22           HA3      GLY  22 -12.413  -3.513   0.146
  129    H    THR  23           H        THR  23  -9.675  -2.904   1.987
  130    HA   THR  23           HA       THR  23  -8.214  -5.130   0.819
  131    HB   THR  23           HB       THR  23  -6.402  -3.724  -0.060
  132    HG1  THR  23           HG1      THR  23  -7.804  -1.821   1.280
  133   HG21  THR  23          HG21      THR  23  -7.974  -3.991  -1.841
  134   HG22  THR  23          HG22      THR  23  -7.654  -2.220  -1.760
  135   HG23  THR  23          HG23      THR  23  -9.180  -2.881  -1.101
  136    H    THR  24           H        THR  24  -6.058  -5.393   1.834
  137    HA   THR  24           HA       THR  24  -5.842  -4.162   4.556
  138    HB   THR  24           HB       THR  24  -4.763  -6.413   5.237
  139    HG1  THR  24           HG1      THR  24  -5.987  -7.067   2.719
  140   HG21  THR  24          HG21      THR  24  -7.052  -7.444   5.532
  141   HG22  THR  24          HG22      THR  24  -7.747  -6.146   4.492
  142   HG23  THR  24          HG23      THR  24  -6.949  -5.720   6.045
  143    H    CYS  25           H        CYS  25  -3.738  -3.717   5.469
  144    HA   CYS  25           HA       CYS  25  -1.760  -3.356   3.345
  145    HB2  CYS  25           HB2      CYS  25  -2.262  -1.497   5.047
  146    HB3  CYS  25           HB3      CYS  25  -1.508  -2.531   6.288
  147    H    GLN  26           H        GLN  26  -0.129  -4.643   2.918
  148    HA   GLN  26           HA       GLN  26   0.982  -6.282   5.084
  149    HB2  GLN  26           HB2      GLN  26   0.279  -7.492   2.349
  150    HB3  GLN  26           HB3      GLN  26   0.839  -8.357   3.816
  151    HG2  GLN  26           HG2      GLN  26  -1.355  -7.885   4.951
  152    HG3  GLN  26           HG3      GLN  26  -1.907  -6.947   3.519
  153   HE21  GLN  26          HE21      GLN  26  -3.640  -8.256   2.920
  154   HE22  GLN  26          HE22      GLN  26  -3.389  -9.856   2.280
  155    H    VAL  27           H        VAL  27   2.937  -7.554   3.999
  156    HA   VAL  27           HA       VAL  27   4.496  -5.479   2.576
  157    HB   VAL  27           HB       VAL  27   5.177  -7.552   4.659
  158   HG11  VAL  27          HG11      VAL  27   7.113  -6.109   2.723
  159   HG12  VAL  27          HG12      VAL  27   6.929  -7.894   2.954
  160   HG13  VAL  27          HG13      VAL  27   7.624  -6.883   4.263
  161   HG21  VAL  27          HG21      VAL  27   4.451  -4.928   4.966
  162   HG22  VAL  27          HG22      VAL  27   6.183  -4.661   4.556
  163   HG23  VAL  27          HG23      VAL  27   5.737  -5.675   5.974
  164    H    LEU  28           H        LEU  28   4.938  -5.878   0.496
  165    HA   LEU  28           HA       LEU  28   5.040  -8.698  -0.405
  166    HB2  LEU  28           HB2      LEU  28   3.591  -7.478  -1.751
  167    HB3  LEU  28           HB3      LEU  28   4.550  -5.978  -1.671
  168    HG   LEU  28           HG       LEU  28   6.086  -6.710  -3.349
  169   HD11  LEU  28          HD11      LEU  28   5.265  -9.257  -4.330
  170   HD12  LEU  28          HD12      LEU  28   5.481  -9.439  -2.553
  171   HD13  LEU  28          HD13      LEU  28   6.810  -8.772  -3.561
  172   HD21  LEU  28          HD21      LEU  28   4.618  -6.123  -4.908
  173   HD22  LEU  28          HD22      LEU  28   3.231  -6.626  -3.861
  174   HD23  LEU  28          HD23      LEU  28   3.989  -7.791  -4.994
  175    H    ASN  29           H        ASN  29   7.040  -6.010   0.547
  176    HA   ASN  29           HA       ASN  29   9.452  -7.363   0.035
  177    HB2  ASN  29           HB2      ASN  29  10.196  -5.225  -1.651
  178    HB3  ASN  29           HB3      ASN  29   9.798  -6.883  -2.185
  179   HD21  ASN  29          HD21      ASN  29   7.106  -4.839  -1.098
  180   HD22  ASN  29          HD22      ASN  29   6.516  -4.597  -2.708
  181    HA   PRO  30           HA       PRO  30  10.420  -4.368   3.013
  182    HB2  PRO  30           HB2      PRO  30  13.222  -3.951   2.676
  183    HB3  PRO  30           HB3      PRO  30  12.475  -5.397   3.436
  184    HG2  PRO  30           HG2      PRO  30  13.689  -5.144   0.682
  185    HG3  PRO  30           HG3      PRO  30  13.531  -6.591   1.739
  186    HD2  PRO  30           HD2      PRO  30  11.875  -5.879  -0.486
  187    HD3  PRO  30           HD3      PRO  30  11.516  -7.177   0.738
  188    H    TYR  31           H        TYR  31  10.324  -3.404  -0.148
  189    HA   TYR  31           HA       TYR  31  10.756  -0.565   0.555
  190    HB2  TYR  31           HB2      TYR  31  11.549  -2.043  -2.042
  191    HB3  TYR  31           HB3      TYR  31  11.470  -0.248  -1.916
  192    HD1  TYR  31           HD2      TYR  31  13.081  -3.263  -0.321
  193    HD2  TYR  31           HD1      TYR  31  13.357   0.940  -1.127
  194    HE1  TYR  31           HE2      TYR  31  15.266  -3.184   0.846
  195    HE2  TYR  31           HE1      TYR  31  15.579   0.994  -0.038
  196    HH   TYR  31           HH       TYR  31  17.280  -0.294   0.834
  197    H    TYR  32           H        TYR  32   8.403  -2.757   0.012
  198    HA   TYR  32           HA       TYR  32   6.583  -0.772  -0.841
  199    HB2  TYR  32           HB2      TYR  32   7.135  -0.965  -3.053
  200    HB3  TYR  32           HB3      TYR  32   7.478  -2.674  -3.010
  201    HD1  TYR  32           HD2      TYR  32   4.863  -0.187  -2.759
  202    HD2  TYR  32           HD1      TYR  32   5.629  -4.226  -3.894
  203    HE1  TYR  32           HE2      TYR  32   2.495  -0.424  -3.423
  204    HE2  TYR  32           HE1      TYR  32   3.264  -4.448  -4.578
  205    HH   TYR  32           HH       TYR  32   0.936  -1.818  -4.194
  206    H    SER  33           H        SER  33   4.932  -0.873   0.540
  207    HA   SER  33           HA       SER  33   4.069  -3.544   1.433
  208    HB2  SER  33           HB2      SER  33   3.263  -0.887   2.702
  209    HB3  SER  33           HB3      SER  33   3.131  -2.525   3.392
  210    HG   SER  33           HG       SER  33   5.546  -2.496   3.193
  211    H    GLN  34           H        GLN  34   2.213  -4.245   0.641
  212    HA   GLN  34           HA       GLN  34   0.854  -2.472  -1.244
  213    HB2  GLN  34           HB2      GLN  34   1.981  -4.416  -2.187
  214    HB3  GLN  34           HB3      GLN  34   1.115  -5.522  -1.078
  215    HG2  GLN  34           HG2      GLN  34  -1.040  -5.061  -2.163
  216    HG3  GLN  34           HG3      GLN  34  -0.354  -3.711  -3.101
  217   HE21  GLN  34          HE21      GLN  34   0.610  -4.219  -5.105
  218   HE22  GLN  34          HE22      GLN  34   0.630  -5.856  -5.738
  219    H    CYS  35           H        CYS  35  -1.386  -2.412  -1.364
  220    HA   CYS  35           HA       CYS  35  -2.892  -3.349   0.969
  221    HB2  CYS  35           HB2      CYS  35  -3.484  -1.546  -1.434
  222    HB3  CYS  35           HB3      CYS  35  -4.792  -2.004  -0.288
  223    H    LEU  36           H        LEU  36  -4.100  -5.182   0.962
  224    HA   LEU  36           HA       LEU  36  -4.773  -6.320  -1.688
  225    HB2  LEU  36           HB2      LEU  36  -4.272  -7.692   0.991
  226    HB3  LEU  36           HB3      LEU  36  -4.712  -8.513  -0.537
  227    HG   LEU  36           HG       LEU  36  -2.403  -8.869  -0.204
  228   HD11  LEU  36          HD11      LEU  36  -2.514  -6.547  -2.234
  229   HD12  LEU  36          HD12      LEU  36  -3.252  -8.148  -2.551
  230   HD13  LEU  36          HD13      LEU  36  -1.472  -8.014  -2.275
  231   HD21  LEU  36          HD21      LEU  36  -1.580  -5.943  -0.174
  232   HD22  LEU  36          HD22      LEU  36  -0.751  -7.378   0.498
  233   HD23  LEU  36          HD23      LEU  36  -2.188  -6.677   1.334
  234    H1   MAN 101           H1       MAN  37  -9.538   2.643   0.339
  235    H2   MAN 101           H2       MAN  37  -7.641   3.763  -0.680
  236    H3   MAN 101           H3       MAN  37  -8.267   6.021  -0.115
  237    H4   MAN 101           H4       MAN  37 -10.440   5.761  -2.213
  238    H5   MAN 101           H5       MAN  37 -10.701   6.011   0.844
  239    H61  MAN 101           H61      MAN  37 -12.728   5.428  -1.378
  240    H62  MAN 101           H62      MAN  37 -12.601   6.943  -0.411
  241    HO2  MAN 101           HO2      MAN  37  -8.284   3.537  -2.746
  242    HO3  MAN 101           HO3      MAN  37  -8.146   6.411  -2.803
  243    HO4  MAN 101           HO4      MAN  37 -10.560   7.898  -1.902
  244    HO6  MAN 101           HO6      MAN  37 -12.971   5.416   1.492
  245    H1   MAN 102           H1       MAN  38  -6.760   3.276  -7.168
  246    H2   MAN 102           H2       MAN  38  -4.978   1.536  -7.375
  247    H3   MAN 102           H3       MAN  38  -3.690   2.292  -5.387
  248    H4   MAN 102           H4       MAN  38  -2.751   4.545  -7.225
  249    H5   MAN 102           H5       MAN  38  -4.464   4.687  -4.681
  250    H61  MAN 102           H61      MAN  38  -3.719   6.805  -6.772
  251    H62  MAN 102           H62      MAN  38  -3.093   6.689  -5.087
  252    HO2  MAN 102           HO2      MAN  38  -4.611   4.041  -8.612
  253    HO3  MAN 102           HO3      MAN  38  -2.421   1.944  -7.886
  254    HO4  MAN 102           HO4      MAN  38  -1.210   4.695  -5.791
  255    HO6  MAN 102           HO6      MAN  38  -5.853   6.988  -5.811
  256    H1   MAN 103           H1       MAN  39   3.978   9.324  -1.566
  257    H2   MAN 103           H2       MAN  39   6.536   9.071  -1.331
  258    H3   MAN 103           H3       MAN  39   7.000  11.423  -1.834
  259    H4   MAN 103           H4       MAN  39   6.186  10.598  -4.663
  260    H5   MAN 103           H5       MAN  39   5.002  12.633  -2.680
  261    H61  MAN 103           H61      MAN  39   4.081  11.658  -5.445
  262    H62  MAN 103           H62      MAN  39   4.717  13.299  -5.056
  263    HO2  MAN 103           HO2      MAN  39   5.204   7.878  -2.998
  264    HO3  MAN 103           HO3      MAN  39   8.781  10.164  -2.112
  265    HO4  MAN 103           HO4      MAN  39   7.878  12.029  -4.732
  266    HO6  MAN 103           HO6      MAN  39   2.481  12.167  -3.695
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -8.666   6.258   2.209
    2    H2   THR   1           H2       THR   1  -7.189   7.113   2.050
    3    H3   THR   1           H3       THR   1  -7.748   6.587   3.597
    4    HA   THR   1           HA       THR   1  -6.380   4.852   3.154
    5    HB   THR   1           HB       THR   1  -7.765   3.069   1.579
    6   HG21  THR   1          HG21      THR   1  -8.893   4.291   4.207
    7   HG22  THR   1          HG22      THR   1  -7.665   2.997   4.052
    8   HG23  THR   1          HG23      THR   1  -9.332   2.695   3.508
    9    H    GLN   2           H        GLN   2  -5.583   3.107   1.269
   10    HA   GLN   2           HA       GLN   2  -4.977   4.594  -1.190
   11    HB2  GLN   2           HB2      GLN   2  -3.172   3.215   0.538
   12    HB3  GLN   2           HB3      GLN   2  -3.530   1.953  -0.641
   13    HG2  GLN   2           HG2      GLN   2  -1.696   3.184  -1.670
   14    HG3  GLN   2           HG3      GLN   2  -3.134   3.798  -2.531
   15   HE21  GLN   2          HE21      GLN   2  -1.000   4.352   0.233
   16   HE22  GLN   2          HE22      GLN   2  -1.352   6.034   0.464
   17    H    SER   3           H        SER   3  -5.076   3.302  -3.164
   18    HA   SER   3           HA       SER   3  -7.427   1.814  -3.277
   19    HB2  SER   3           HB2      SER   3  -5.635   1.515  -5.657
   20    HB3  SER   3           HB3      SER   3  -7.267   2.301  -5.528
   21    H    HIS   4           H        HIS   4  -7.547  -0.307  -4.585
   22    HA   HIS   4           HA       HIS   4  -6.161  -2.383  -3.243
   23    HB2  HIS   4           HB2      HIS   4  -8.399  -2.478  -4.652
   24    HB3  HIS   4           HB3      HIS   4  -7.336  -2.635  -6.090
   25    HD1  HIS   4           HD1      HIS   4  -9.139  -4.913  -5.651
   26    HD2  HIS   4           HD2      HIS   4  -5.701  -4.690  -3.291
   27    HE1  HIS   4           HE1      HIS   4  -8.670  -7.250  -4.778
   28    HE2  HIS   4           HE2      HIS   4  -6.889  -6.772  -3.039
   29    H    TYR   5           H        TYR   5  -4.225  -3.297  -3.535
   30    HA   TYR   5           HA       TYR   5  -2.309  -3.787  -4.272
   31    HB2  TYR   5           HB2      TYR   5  -3.002  -2.955  -7.129
   32    HB3  TYR   5           HB3      TYR   5  -1.655  -4.018  -6.618
   33    HD1  TYR   5           HD1      TYR   5  -2.204  -6.318  -5.563
   34    HD2  TYR   5           HD2      TYR   5  -5.157  -3.793  -7.393
   35    HE1  TYR   5           HE1      TYR   5  -3.745  -8.248  -5.747
   36    HE2  TYR   5           HE2      TYR   5  -6.700  -5.717  -7.568
   37    HH   TYR   5           HH       TYR   5  -6.790  -8.029  -7.509
   38    H    GLY   6           H        GLY   6  -3.310  -0.882  -3.665
   39    HA2  GLY   6           HA2      GLY   6  -1.036   0.655  -4.657
   40    HA3  GLY   6           HA3      GLY   6  -2.384   1.191  -3.573
   41    H    GLN   7           H        GLN   7   0.002   2.097  -2.719
   42    HA   GLN   7           HA       GLN   7   1.066  -0.011  -0.959
   43    HB2  GLN   7           HB2      GLN   7   2.510   1.517  -2.537
   44    HB3  GLN   7           HB3      GLN   7   2.213   2.771  -1.307
   45    HG2  GLN   7           HG2      GLN   7   3.025   1.057   0.476
   46    HG3  GLN   7           HG3      GLN   7   3.536  -0.027  -0.833
   47   HE21  GLN   7          HE21      GLN   7   5.149   1.326  -2.491
   48   HE22  GLN   7          HE22      GLN   7   6.229   2.400  -1.646
   49    H    CYS   8           H        CYS   8   1.016   0.108   1.266
   50    HA   CYS   8           HA       CYS   8   0.012   2.649   2.476
   51    HB2  CYS   8           HB2      CYS   8  -1.705   1.446   3.281
   52    HB3  CYS   8           HB3      CYS   8  -1.016  -0.033   2.573
   53    H    GLY   9           H        GLY   9   2.696   0.462   2.310
   54    HA2  GLY   9           HA2      GLY   9   4.082   1.964   4.393
   55    HA3  GLY   9           HA3      GLY   9   3.649   0.262   4.798
   56    H    GLY  10           H        GLY  10   5.419   2.263   2.403
   57    HA2  GLY  10           HA2      GLY  10   7.332   0.013   2.045
   58    HA3  GLY  10           HA3      GLY  10   6.798   1.161   0.768
   59    H    ILE  11           H        ILE  11   9.430   0.809   1.261
   60    HA   ILE  11           HA       ILE  11  10.426   2.798   3.064
   61    HB   ILE  11           HB       ILE  11  11.481   0.923   0.987
   62   HG12  ILE  11          HG12      ILE  11  11.035   0.620   3.649
   63   HG13  ILE  11          HG13      ILE  11  12.327  -0.245   2.776
   64   HG21  ILE  11          HG21      ILE  11  13.089   3.327   2.066
   65   HG22  ILE  11          HG22      ILE  11  12.788   2.868   0.350
   66   HG23  ILE  11          HG23      ILE  11  13.849   1.853   1.374
   67   HD11  ILE  11          HD11      ILE  11  12.824   2.447   4.215
   68   HD12  ILE  11          HD12      ILE  11  14.050   1.285   3.577
   69   HD13  ILE  11          HD13      ILE  11  13.046   0.838   4.997
   70    H    GLY  12           H        GLY  12   9.461   2.842  -0.305
   71    HA2  GLY  12           HA2      GLY  12  10.242   5.718  -0.467
   72    HA3  GLY  12           HA3      GLY  12  10.431   4.538  -1.817
   73    H    TYR  13           H        TYR  13   8.051   6.177   0.318
   74    HA   TYR  13           HA       TYR  13   6.327   6.433  -1.992
   75    HB2  TYR  13           HB2      TYR  13   5.901   4.159  -1.089
   76    HB3  TYR  13           HB3      TYR  13   5.515   4.840   0.526
   77    HD1  TYR  13           HD1      TYR  13   4.500   4.788  -3.083
   78    HD2  TYR  13           HD2      TYR  13   3.283   5.489   0.979
   79    HE1  TYR  13           HE1      TYR  13   2.147   5.103  -3.837
   80    HE2  TYR  13           HE2      TYR  13   0.969   5.784   0.247
   81    HH   TYR  13           HH       TYR  13  -0.479   5.671  -1.639
   82    H    SER  14           H        SER  14   4.618   7.905  -1.679
   83    HA   SER  14           HA       SER  14   4.624   9.369   0.883
   84    HB2  SER  14           HB2      SER  14   4.845  10.754  -1.852
   85    HB3  SER  14           HB3      SER  14   4.910  11.528  -0.191
   86    H    GLY  15           H        GLY  15   2.535   8.060   0.918
   87    HA2  GLY  15           HA2      GLY  15   0.435   9.824   0.019
   88    HA3  GLY  15           HA3      GLY  15   0.433   8.148  -0.681
   89    HA   PRO  16           HA       PRO  16  -1.906   8.175   3.365
   90    HB2  PRO  16           HB2      PRO  16  -3.371   6.243   1.463
   91    HB3  PRO  16           HB3      PRO  16  -4.105   7.264   2.760
   92    HG2  PRO  16           HG2      PRO  16  -4.134   7.973   0.071
   93    HG3  PRO  16           HG3      PRO  16  -3.974   9.234   1.363
   94    HD2  PRO  16           HD2      PRO  16  -1.896   8.166  -0.541
   95    HD3  PRO  16           HD3      PRO  16  -1.958   9.753   0.339
   96    H    THR  17           H        THR  17  -2.090   6.493   5.013
   97    HA   THR  17           HA       THR  17  -0.344   4.158   4.460
   98    HB   THR  17           HB       THR  17   0.887   5.527   5.842
   99    HG1  THR  17           HG1      THR  17   1.136   4.152   7.378
  100   HG21  THR  17          HG21      THR  17  -1.774   6.098   7.321
  101   HG22  THR  17          HG22      THR  17  -0.756   7.282   6.382
  102   HG23  THR  17          HG23      THR  17  -0.167   6.612   7.930
  103    H    VAL  18           H        VAL  18  -3.394   4.549   4.268
  104    HA   VAL  18           HA       VAL  18  -4.114   2.301   6.115
  105    HB   VAL  18           HB       VAL  18  -5.949   4.574   5.223
  106   HG11  VAL  18          HG11      VAL  18  -6.741   1.999   5.985
  107   HG12  VAL  18          HG12      VAL  18  -7.660   3.472   6.422
  108   HG13  VAL  18          HG13      VAL  18  -6.513   2.744   7.592
  109   HG21  VAL  18          HG21      VAL  18  -5.794   5.275   7.663
  110   HG22  VAL  18          HG22      VAL  18  -4.216   5.442   6.814
  111   HG23  VAL  18          HG23      VAL  18  -4.505   4.041   7.897
  112    H    CYS  19           H        CYS  19  -4.691   0.478   4.975
  113    HA   CYS  19           HA       CYS  19  -5.226   0.682   2.157
  114    HB2  CYS  19           HB2      CYS  19  -5.367  -1.573   4.197
  115    HB3  CYS  19           HB3      CYS  19  -5.764  -1.846   2.485
  116    H    ALA  20           H        ALA  20  -7.059   0.379   0.978
  117    HA   ALA  20           HA       ALA  20  -9.352   1.610   1.727
  118    HB1  ALA  20           HB1      ALA  20 -10.358   0.665  -0.315
  119    HB2  ALA  20           HB2      ALA  20  -9.302  -0.774  -0.219
  120    HB3  ALA  20           HB3      ALA  20  -8.608   0.800  -0.682
  121    H    SER  21           H        SER  21 -11.533   1.065   2.296
  122    HA   SER  21           HA       SER  21 -11.630  -0.899   4.268
  123    HB2  SER  21           HB2      SER  21 -13.945   0.379   2.698
  124    HB3  SER  21           HB3      SER  21 -14.047  -0.347   4.349
  125    HG   SER  21           HG       SER  21 -12.748   1.298   5.107
  126    H    GLY  22           H        GLY  22 -11.527  -1.426   1.015
  127    HA2  GLY  22           HA2      GLY  22 -12.816  -4.092   1.169
  128    HA3  GLY  22           HA3      GLY  22 -12.479  -3.152  -0.329
  129    H    THR  23           H        THR  23  -9.842  -2.759   1.750
  130    HA   THR  23           HA       THR  23  -8.431  -5.022   0.557
  131    HB   THR  23           HB       THR  23  -6.505  -3.634  -0.096
  132    HG1  THR  23           HG1      THR  23  -7.701  -1.916   1.456
  133   HG21  THR  23          HG21      THR  23  -7.584  -1.979  -1.799
  134   HG22  THR  23          HG22      THR  23  -9.156  -2.705  -1.333
  135   HG23  THR  23          HG23      THR  23  -7.864  -3.748  -2.023
  136    H    THR  24           H        THR  24  -6.415  -5.547   1.740
  137    HA   THR  24           HA       THR  24  -6.148  -4.191   4.387
  138    HB   THR  24           HB       THR  24  -5.195  -6.558   5.094
  139    HG1  THR  24           HG1      THR  24  -6.418  -8.151   3.851
  140   HG21  THR  24          HG21      THR  24  -8.191  -5.996   4.516
  141   HG22  THR  24          HG22      THR  24  -7.267  -5.439   5.949
  142   HG23  THR  24          HG23      THR  24  -7.548  -7.200   5.696
  143    H    CYS  25           H        CYS  25  -4.097  -3.757   5.292
  144    HA   CYS  25           HA       CYS  25  -2.042  -3.573   3.289
  145    HB2  CYS  25           HB2      CYS  25  -2.521  -1.890   5.248
  146    HB3  CYS  25           HB3      CYS  25  -1.564  -2.996   6.252
  147    H    GLN  26           H        GLN  26  -0.498  -4.959   2.779
  148    HA   GLN  26           HA       GLN  26   0.491  -6.818   4.814
  149    HB2  GLN  26           HB2      GLN  26  -0.284  -7.817   2.008
  150    HB3  GLN  26           HB3      GLN  26   0.140  -8.797   3.448
  151    HG2  GLN  26           HG2      GLN  26  -2.054  -8.131   4.521
  152    HG3  GLN  26           HG3      GLN  26  -2.440  -7.115   3.086
  153   HE21  GLN  26          HE21      GLN  26  -4.380  -8.547   3.229
  154   HE22  GLN  26          HE22      GLN  26  -4.319 -10.017   2.301
  155    H    VAL  27           H        VAL  27   2.373  -8.125   3.599
  156    HA   VAL  27           HA       VAL  27   4.000  -5.984   2.371
  157    HB   VAL  27           HB       VAL  27   4.607  -8.282   4.221
  158   HG11  VAL  27          HG11      VAL  27   6.391  -8.561   2.621
  159   HG12  VAL  27          HG12      VAL  27   7.091  -7.458   3.863
  160   HG13  VAL  27          HG13      VAL  27   6.506  -6.786   2.305
  161   HG21  VAL  27          HG21      VAL  27   3.976  -5.618   4.707
  162   HG22  VAL  27          HG22      VAL  27   5.741  -5.471   4.463
  163   HG23  VAL  27          HG23      VAL  27   5.099  -6.566   5.741
  164    H    LEU  28           H        LEU  28   4.615  -6.166   0.321
  165    HA   LEU  28           HA       LEU  28   4.586  -8.859  -0.921
  166    HB2  LEU  28           HB2      LEU  28   3.380  -7.447  -2.324
  167    HB3  LEU  28           HB3      LEU  28   4.390  -6.024  -1.964
  168    HG   LEU  28           HG       LEU  28   6.151  -6.738  -3.454
  169   HD11  LEU  28          HD11      LEU  28   5.107  -9.475  -3.050
  170   HD12  LEU  28          HD12      LEU  28   6.710  -8.909  -3.632
  171   HD13  LEU  28          HD13      LEU  28   5.361  -9.128  -4.791
  172   HD21  LEU  28          HD21      LEU  28   4.593  -7.434  -5.628
  173   HD22  LEU  28          HD22      LEU  28   4.725  -5.783  -4.993
  174   HD23  LEU  28          HD23      LEU  28   3.324  -6.822  -4.516
  175    H    ASN  29           H        ASN  29   6.708  -6.021  -0.186
  176    HA   ASN  29           HA       ASN  29   8.928  -7.866  -0.197
  177    HB2  ASN  29           HB2      ASN  29  10.197  -6.887  -2.003
  178    HB3  ASN  29           HB3      ASN  29   8.551  -7.133  -2.652
  179   HD21  ASN  29          HD21      ASN  29   8.771  -5.427  -4.297
  180   HD22  ASN  29          HD22      ASN  29   8.815  -3.758  -3.775
  181    HA   PRO  30           HA       PRO  30   9.973  -5.290   3.100
  182    HB2  PRO  30           HB2      PRO  30  12.854  -4.793   2.601
  183    HB3  PRO  30           HB3      PRO  30  12.127  -6.063   3.628
  184    HG2  PRO  30           HG2      PRO  30  13.480  -6.482   1.118
  185    HG3  PRO  30           HG3      PRO  30  12.488  -7.685   2.032
  186    HD2  PRO  30           HD2      PRO  30  11.728  -6.019  -0.377
  187    HD3  PRO  30           HD3      PRO  30  11.100  -7.636   0.179
  188    H    TYR  31           H        TYR  31   9.904  -3.800   0.165
  189    HA   TYR  31           HA       TYR  31  10.501  -1.122   1.205
  190    HB2  TYR  31           HB2      TYR  31  11.273  -2.395  -1.514
  191    HB3  TYR  31           HB3      TYR  31  11.355  -0.624  -1.196
  192    HD1  TYR  31           HD2      TYR  31  12.699  -3.947   0.015
  193    HD2  TYR  31           HD1      TYR  31  13.270   0.287  -0.207
  194    HE1  TYR  31           HE2      TYR  31  14.826  -4.170   1.273
  195    HE2  TYR  31           HE1      TYR  31  15.390   0.074   1.050
  196    HH   TYR  31           HH       TYR  31  16.695  -1.322   2.272
  197    H    TYR  32           H        TYR  32   8.040  -3.032   0.553
  198    HA   TYR  32           HA       TYR  32   6.274  -1.016  -0.505
  199    HB2  TYR  32           HB2      TYR  32   7.327  -1.766  -2.666
  200    HB3  TYR  32           HB3      TYR  32   7.044  -3.471  -2.165
  201    HD1  TYR  32           HD2      TYR  32   4.989  -0.387  -2.477
  202    HD2  TYR  32           HD1      TYR  32   5.347  -4.528  -3.284
  203    HE1  TYR  32           HE2      TYR  32   2.717  -0.341  -3.552
  204    HE2  TYR  32           HE1      TYR  32   3.095  -4.498  -4.392
  205    HH   TYR  32           HH       TYR  32   1.092  -1.634  -4.617
  206    H    SER  33           H        SER  33   4.952  -1.345   1.303
  207    HA   SER  33           HA       SER  33   3.713  -4.008   1.512
  208    HB2  SER  33           HB2      SER  33   3.246  -1.584   3.295
  209    HB3  SER  33           HB3      SER  33   2.469  -3.179   3.478
  210    HG   SER  33           HG       SER  33   5.226  -2.512   3.667
  211    H    GLN  34           H        GLN  34   1.952  -4.456   0.545
  212    HA   GLN  34           HA       GLN  34   0.666  -2.414  -1.077
  213    HB2  GLN  34           HB2      GLN  34   1.770  -4.340  -2.147
  214    HB3  GLN  34           HB3      GLN  34   0.772  -5.486  -1.202
  215    HG2  GLN  34           HG2      GLN  34  -1.288  -4.736  -2.374
  216    HG3  GLN  34           HG3      GLN  34  -0.378  -3.412  -3.182
  217   HE21  GLN  34          HE21      GLN  34   0.515  -3.934  -5.196
  218   HE22  GLN  34          HE22      GLN  34   0.449  -5.550  -5.871
  219    H    CYS  35           H        CYS  35  -1.619  -2.347  -1.252
  220    HA   CYS  35           HA       CYS  35  -3.149  -3.378   1.038
  221    HB2  CYS  35           HB2      CYS  35  -3.725  -1.369  -1.223
  222    HB3  CYS  35           HB3      CYS  35  -4.935  -1.817   0.017
  223    H    LEU  36           H        LEU  36  -4.299  -5.282   0.817
  224    HA   LEU  36           HA       LEU  36  -4.999  -6.114  -1.916
  225    HB2  LEU  36           HB2      LEU  36  -4.483  -7.722   0.640
  226    HB3  LEU  36           HB3      LEU  36  -4.989  -8.414  -0.933
  227    HG   LEU  36           HG       LEU  36  -2.671  -8.803  -0.755
  228   HD11  LEU  36          HD11      LEU  36  -2.850  -6.294  -2.549
  229   HD12  LEU  36          HD12      LEU  36  -3.656  -7.841  -2.974
  230   HD13  LEU  36          HD13      LEU  36  -1.862  -7.779  -2.802
  231   HD21  LEU  36          HD21      LEU  36  -1.833  -5.892  -0.520
  232   HD22  LEU  36          HD22      LEU  36  -0.977  -7.380  -0.002
  233   HD23  LEU  36          HD23      LEU  36  -2.372  -6.742   0.953
  234    H1   MAN 101           H1       MAN  37  -9.699   2.826   0.291
  235    H2   MAN 101           H2       MAN  37  -7.778   3.990  -0.651
  236    H3   MAN 101           H3       MAN  37  -8.429   6.224   0.022
  237    H4   MAN 101           H4       MAN  37 -10.475   6.060  -2.204
  238    H5   MAN 101           H5       MAN  37 -10.939   6.186   0.837
  239    H61  MAN 101           H61      MAN  37 -12.834   5.553  -1.492
  240    H62  MAN 101           H62      MAN  37 -12.740   7.123  -0.620
  241    HO2  MAN 101           HO2      MAN  37 -10.004   3.954  -2.415
  242    HO3  MAN 101           HO3      MAN  37  -7.706   7.248  -1.892
  243    HO4  MAN 101           HO4      MAN  37  -9.960   8.141  -0.259
  244    HO6  MAN 101           HO6      MAN  37 -13.052   4.793   0.959
  245    H1   MAN 102           H1       MAN  38  -6.134   3.982  -7.074
  246    H2   MAN 102           H2       MAN  38  -4.438   2.142  -7.197
  247    H3   MAN 102           H3       MAN  38  -3.389   2.726  -5.023
  248    H4   MAN 102           H4       MAN  38  -2.089   4.972  -6.639
  249    H5   MAN 102           H5       MAN  38  -4.045   5.115  -4.271
  250    H61  MAN 102           H61      MAN  38  -3.024   7.294  -6.174
  251    H62  MAN 102           H62      MAN  38  -2.498   7.052  -4.464
  252    HO2  MAN 102           HO2      MAN  38  -3.738   4.694  -8.209
  253    HO3  MAN 102           HO3      MAN  38  -1.124   2.629  -5.972
  254    HO4  MAN 102           HO4      MAN  38  -0.727   5.055  -4.997
  255    HO6  MAN 102           HO6      MAN  38  -5.236   7.387  -5.209
  256    H1   MAN 103           H1       MAN  39   7.165  12.255  -0.036
  257    H2   MAN 103           H2       MAN  39   5.854  12.637  -2.140
  258    H3   MAN 103           H3       MAN  39   6.621  10.515  -3.233
  259    H4   MAN 103           H4       MAN  39   9.234  12.064  -3.594
  260    H5   MAN 103           H5       MAN  39   8.548   9.508  -2.024
  261    H61  MAN 103           H61      MAN  39  11.136  11.163  -2.168
  262    H62  MAN 103           H62      MAN  39  10.871   9.562  -2.940
  263    HO2  MAN 103           HO2      MAN  39   8.543  13.494  -2.033
  264    HO3  MAN 103           HO3      MAN  39   6.472  12.984  -4.422
  265    HO4  MAN 103           HO4      MAN  39   8.218   9.748  -4.805
  266    HO6  MAN 103           HO6      MAN  39  10.568  10.033  -0.129
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -7.357   6.762   3.572
    2    H2   THR   1           H2       THR   1  -8.509   6.265   2.428
    3    H3   THR   1           H3       THR   1  -7.136   7.123   1.907
    4    HA   THR   1           HA       THR   1  -6.135   4.911   3.165
    5    HB   THR   1           HB       THR   1  -7.567   3.088   1.684
    6   HG21  THR   1          HG21      THR   1  -8.710   4.301   4.302
    7   HG22  THR   1          HG22      THR   1  -7.352   3.125   4.183
    8   HG23  THR   1          HG23      THR   1  -8.977   2.655   3.658
    9    H    GLN   2           H        GLN   2  -5.370   3.124   1.301
   10    HA   GLN   2           HA       GLN   2  -4.986   4.549  -1.249
   11    HB2  GLN   2           HB2      GLN   2  -3.063   3.195   0.363
   12    HB3  GLN   2           HB3      GLN   2  -3.426   1.996  -0.883
   13    HG2  GLN   2           HG2      GLN   2  -1.700   3.345  -1.907
   14    HG3  GLN   2           HG3      GLN   2  -3.202   3.929  -2.679
   15   HE21  GLN   2          HE21      GLN   2  -1.070   4.391   0.118
   16   HE22  GLN   2          HE22      GLN   2  -1.326   6.091   0.322
   17    H    SER   3           H        SER   3  -5.174   3.243  -3.185
   18    HA   SER   3           HA       SER   3  -7.514   1.705  -3.132
   19    HB2  SER   3           HB2      SER   3  -5.867   1.467  -5.622
   20    HB3  SER   3           HB3      SER   3  -7.522   2.183  -5.403
   21    H    HIS   4           H        HIS   4  -7.642  -0.445  -4.382
   22    HA   HIS   4           HA       HIS   4  -6.011  -2.407  -3.160
   23    HB2  HIS   4           HB2      HIS   4  -8.353  -2.646  -4.350
   24    HB3  HIS   4           HB3      HIS   4  -7.423  -2.808  -5.874
   25    HD1  HIS   4           HD1      HIS   4  -9.153  -5.116  -4.974
   26    HD2  HIS   4           HD2      HIS   4  -5.217  -4.778  -3.555
   27    HE1  HIS   4           HE1      HIS   4  -8.429  -7.415  -4.239
   28    HE2  HIS   4           HE2      HIS   4  -6.187  -7.074  -3.155
   29    H    TYR   5           H        TYR   5  -4.089  -3.174  -3.593
   30    HA   TYR   5           HA       TYR   5  -2.228  -3.664  -4.495
   31    HB2  TYR   5           HB2      TYR   5  -3.131  -2.869  -7.295
   32    HB3  TYR   5           HB3      TYR   5  -1.767  -3.949  -6.854
   33    HD1  TYR   5           HD1      TYR   5  -2.283  -6.220  -5.745
   34    HD2  TYR   5           HD2      TYR   5  -5.319  -3.671  -7.399
   35    HE1  TYR   5           HE1      TYR   5  -3.850  -8.134  -5.826
   36    HE2  TYR   5           HE2      TYR   5  -6.908  -5.571  -7.424
   37    HH   TYR   5           HH       TYR   5  -5.921  -8.839  -6.866
   38    H    GLY   6           H        GLY   6  -3.220  -0.778  -3.851
   39    HA2  GLY   6           HA2      GLY   6  -1.040   0.799  -4.974
   40    HA3  GLY   6           HA3      GLY   6  -2.304   1.296  -3.784
   41    H    GLN   7           H        GLN   7  -0.408   2.336  -2.634
   42    HA   GLN   7           HA       GLN   7   1.220   0.352  -1.186
   43    HB2  GLN   7           HB2      GLN   7   1.856   2.629  -2.692
   44    HB3  GLN   7           HB3      GLN   7   1.840   3.291  -1.075
   45    HG2  GLN   7           HG2      GLN   7   3.888   2.450  -0.561
   46    HG3  GLN   7           HG3      GLN   7   3.358   0.796  -0.949
   47   HE21  GLN   7          HE21      GLN   7   6.045   1.827  -1.557
   48   HE22  GLN   7          HE22      GLN   7   6.162   1.700  -3.289
   49    H    CYS   8           H        CYS   8   1.280   0.327   1.045
   50    HA   CYS   8           HA       CYS   8  -0.041   2.613   2.459
   51    HB2  CYS   8           HB2      CYS   8  -1.681   1.096   2.881
   52    HB3  CYS   8           HB3      CYS   8  -0.626  -0.327   2.612
   53    H    GLY   9           H        GLY   9   2.751   0.609   2.130
   54    HA2  GLY   9           HA2      GLY   9   4.065   2.054   4.314
   55    HA3  GLY   9           HA3      GLY   9   3.687   0.315   4.619
   56    H    GLY  10           H        GLY  10   4.542   1.808   1.558
   57    HA2  GLY  10           HA2      GLY  10   6.835  -0.040   1.297
   58    HA3  GLY  10           HA3      GLY  10   6.249   1.171   0.093
   59    H    ILE  11           H        ILE  11   8.979   0.560   1.359
   60    HA   ILE  11           HA       ILE  11   9.757   2.701   2.966
   61    HB   ILE  11           HB       ILE  11  11.070   0.757   1.088
   62   HG12  ILE  11          HG12      ILE  11  10.421   0.465   3.664
   63   HG13  ILE  11          HG13      ILE  11  11.927  -0.235   2.996
   64   HG21  ILE  11          HG21      ILE  11  12.485   3.290   2.153
   65   HG22  ILE  11          HG22      ILE  11  12.420   2.664   0.461
   66   HG23  ILE  11          HG23      ILE  11  13.370   1.801   1.704
   67   HD11  ILE  11          HD11      ILE  11  12.201   0.990   5.247
   68   HD12  ILE  11          HD12      ILE  11  11.888   2.533   4.367
   69   HD13  ILE  11          HD13      ILE  11  13.317   1.515   3.948
   70    H    GLY  12           H        GLY  12   9.572   2.480  -0.566
   71    HA2  GLY  12           HA2      GLY  12  10.249   5.368  -0.791
   72    HA3  GLY  12           HA3      GLY  12  10.219   4.141  -2.110
   73    H    TYR  13           H        TYR  13   8.016   5.704   0.323
   74    HA   TYR  13           HA       TYR  13   6.184   6.163  -1.897
   75    HB2  TYR  13           HB2      TYR  13   5.643   3.857  -0.947
   76    HB3  TYR  13           HB3      TYR  13   5.335   4.619   0.654
   77    HD1  TYR  13           HD1      TYR  13   4.429   4.879  -3.001
   78    HD2  TYR  13           HD2      TYR  13   3.136   5.421   1.072
   79    HE1  TYR  13           HE1      TYR  13   2.172   5.522  -3.802
   80    HE2  TYR  13           HE2      TYR  13   0.900   6.020   0.274
   81    HH   TYR  13           HH       TYR  13  -0.521   5.968  -1.715
   82    H    SER  14           H        SER  14   4.701   7.842  -1.552
   83    HA   SER  14           HA       SER  14   4.947   9.302   1.006
   84    HB2  SER  14           HB2      SER  14   5.188  10.619  -1.766
   85    HB3  SER  14           HB3      SER  14   5.241  11.459  -0.141
   86    H    GLY  15           H        GLY  15   2.727   8.059   1.007
   87    HA2  GLY  15           HA2      GLY  15   0.733  10.031   0.328
   88    HA3  GLY  15           HA3      GLY  15   0.633   8.463  -0.581
   89    HA   PRO  16           HA       PRO  16  -1.756   8.101   3.394
   90    HB2  PRO  16           HB2      PRO  16  -3.215   6.256   1.419
   91    HB3  PRO  16           HB3      PRO  16  -3.937   7.266   2.725
   92    HG2  PRO  16           HG2      PRO  16  -3.937   8.041   0.054
   93    HG3  PRO  16           HG3      PRO  16  -3.767   9.258   1.382
   94    HD2  PRO  16           HD2      PRO  16  -1.662   8.178  -0.506
   95    HD3  PRO  16           HD3      PRO  16  -1.750   9.782   0.342
   96    H    THR  17           H        THR  17  -1.780   6.474   4.974
   97    HA   THR  17           HA       THR  17  -0.096   4.123   4.346
   98    HB   THR  17           HB       THR  17   0.993   5.838   5.682
   99    HG1  THR  17           HG1      THR  17   0.268   3.551   7.205
  100   HG21  THR  17          HG21      THR  17   0.181   6.607   7.781
  101   HG22  THR  17          HG22      THR  17  -1.019   5.279   7.956
  102   HG23  THR  17          HG23      THR  17  -1.317   6.622   6.795
  103    H    VAL  18           H        VAL  18  -3.062   4.395   4.176
  104    HA   VAL  18           HA       VAL  18  -3.770   2.217   6.066
  105    HB   VAL  18           HB       VAL  18  -5.660   4.508   5.279
  106   HG11  VAL  18          HG11      VAL  18  -7.286   3.458   6.644
  107   HG12  VAL  18          HG12      VAL  18  -6.068   2.577   7.624
  108   HG13  VAL  18          HG13      VAL  18  -6.494   1.997   5.989
  109   HG21  VAL  18          HG21      VAL  18  -3.682   4.238   7.551
  110   HG22  VAL  18          HG22      VAL  18  -5.333   4.730   8.022
  111   HG23  VAL  18          HG23      VAL  18  -4.416   5.717   6.825
  112    H    CYS  19           H        CYS  19  -4.669   0.477   4.951
  113    HA   CYS  19           HA       CYS  19  -5.198   0.834   2.105
  114    HB2  CYS  19           HB2      CYS  19  -5.143  -1.505   4.053
  115    HB3  CYS  19           HB3      CYS  19  -5.652  -1.748   2.387
  116    H    ALA  20           H        ALA  20  -7.132   0.464   1.050
  117    HA   ALA  20           HA       ALA  20  -9.384   1.639   1.940
  118    HB1  ALA  20           HB1      ALA  20  -9.356  -0.779   0.027
  119    HB2  ALA  20           HB2      ALA  20  -8.686   0.795  -0.475
  120    HB3  ALA  20           HB3      ALA  20 -10.430   0.662  -0.068
  121    H    SER  21           H        SER  21 -11.571   0.976   2.555
  122    HA   SER  21           HA       SER  21 -11.409  -0.970   4.607
  123    HB2  SER  21           HB2      SER  21 -13.046   0.883   4.623
  124    HB3  SER  21           HB3      SER  21 -13.889   0.169   3.199
  125    HG   SER  21           HG       SER  21 -13.882  -1.804   4.784
  126    H    GLY  22           H        GLY  22 -11.580  -1.479   1.288
  127    HA2  GLY  22           HA2      GLY  22 -12.554  -4.265   1.556
  128    HA3  GLY  22           HA3      GLY  22 -12.352  -3.324   0.037
  129    H    THR  23           H        THR  23  -9.645  -2.590   1.864
  130    HA   THR  23           HA       THR  23  -8.162  -4.835   0.755
  131    HB   THR  23           HB       THR  23  -6.335  -3.505  -0.052
  132    HG1  THR  23           HG1      THR  23  -6.335  -1.749   1.111
  133   HG21  THR  23          HG21      THR  23  -9.059  -2.748  -1.218
  134   HG22  THR  23          HG22      THR  23  -7.760  -3.816  -1.874
  135   HG23  THR  23          HG23      THR  23  -7.550  -2.021  -1.844
  136    H    THR  24           H        THR  24  -6.073  -5.146   1.844
  137    HA   THR  24           HA       THR  24  -5.909  -3.827   4.533
  138    HB   THR  24           HB       THR  24  -5.844  -6.747   3.730
  139    HG1  THR  24           HG1      THR  24  -7.767  -5.773   4.419
  140   HG21  THR  24          HG21      THR  24  -5.285  -7.074   6.300
  141   HG22  THR  24          HG22      THR  24  -4.649  -5.403   6.260
  142   HG23  THR  24          HG23      THR  24  -3.906  -6.675   5.224
  143    H    CYS  25           H        CYS  25  -3.856  -3.389   5.400
  144    HA   CYS  25           HA       CYS  25  -1.734  -3.101   3.492
  145    HB2  CYS  25           HB2      CYS  25  -1.687  -2.929   6.561
  146    HB3  CYS  25           HB3      CYS  25  -0.348  -2.418   5.490
  147    H    GLN  26           H        GLN  26  -0.535  -4.783   2.693
  148    HA   GLN  26           HA       GLN  26   0.460  -6.697   4.702
  149    HB2  GLN  26           HB2      GLN  26  -0.580  -7.667   1.992
  150    HB3  GLN  26           HB3      GLN  26  -0.068  -8.656   3.378
  151    HG2  GLN  26           HG2      GLN  26  -2.083  -7.955   4.678
  152    HG3  GLN  26           HG3      GLN  26  -2.558  -6.820   3.361
  153   HE21  GLN  26          HE21      GLN  26  -4.588  -8.154   3.737
  154   HE22  GLN  26          HE22      GLN  26  -4.785  -9.446   2.595
  155    H    VAL  27           H        VAL  27   2.366  -7.817   4.005
  156    HA   VAL  27           HA       VAL  27   4.040  -6.036   2.456
  157    HB   VAL  27           HB       VAL  27   4.566  -8.473   4.176
  158   HG11  VAL  27          HG11      VAL  27   6.251  -8.714   2.469
  159   HG12  VAL  27          HG12      VAL  27   7.062  -7.729   3.741
  160   HG13  VAL  27          HG13      VAL  27   6.420  -6.923   2.274
  161   HG21  VAL  27          HG21      VAL  27   4.041  -6.226   5.279
  162   HG22  VAL  27          HG22      VAL  27   5.380  -5.477   4.338
  163   HG23  VAL  27          HG23      VAL  27   5.738  -6.750   5.561
  164    H    LEU  28           H        LEU  28   4.332  -6.213   0.332
  165    HA   LEU  28           HA       LEU  28   4.072  -8.876  -0.945
  166    HB2  LEU  28           HB2      LEU  28   2.730  -7.332  -2.045
  167    HB3  LEU  28           HB3      LEU  28   3.849  -5.970  -1.798
  168    HG   LEU  28           HG       LEU  28   5.170  -6.516  -3.685
  169   HD11  LEU  28          HD11      LEU  28   4.375  -9.331  -3.269
  170   HD12  LEU  28          HD12      LEU  28   5.807  -8.607  -4.085
  171   HD13  LEU  28          HD13      LEU  28   4.271  -8.807  -4.994
  172   HD21  LEU  28          HD21      LEU  28   2.648  -5.783  -3.995
  173   HD22  LEU  28          HD22      LEU  28   2.518  -7.367  -4.831
  174   HD23  LEU  28          HD23      LEU  28   3.718  -6.146  -5.399
  175    H    ASN  29           H        ASN  29   6.372  -6.555   0.255
  176    HA   ASN  29           HA       ASN  29   8.620  -8.072  -0.517
  177    HB2  ASN  29           HB2      ASN  29   9.466  -5.666  -1.837
  178    HB3  ASN  29           HB3      ASN  29   9.093  -7.239  -2.597
  179   HD21  ASN  29          HD21      ASN  29   6.499  -5.139  -1.244
  180   HD22  ASN  29          HD22      ASN  29   5.843  -4.815  -2.819
  181    HA   PRO  30           HA       PRO  30   9.907  -5.780   2.899
  182    HB2  PRO  30           HB2      PRO  30  12.723  -5.601   2.630
  183    HB3  PRO  30           HB3      PRO  30  11.832  -7.120   2.999
  184    HG2  PRO  30           HG2      PRO  30  12.983  -6.223   0.321
  185    HG3  PRO  30           HG3      PRO  30  12.891  -7.876   1.032
  186    HD2  PRO  30           HD2      PRO  30  11.121  -6.808  -0.885
  187    HD3  PRO  30           HD3      PRO  30  10.719  -8.206   0.209
  188    H    TYR  31           H        TYR  31  10.050  -4.239  -0.054
  189    HA   TYR  31           HA       TYR  31  10.592  -1.623   1.217
  190    HB2  TYR  31           HB2      TYR  31  11.694  -2.763  -1.422
  191    HB3  TYR  31           HB3      TYR  31  11.531  -0.982  -1.190
  192    HD1  TYR  31           HD2      TYR  31  13.065  -4.059   0.381
  193    HD2  TYR  31           HD1      TYR  31  13.093   0.205   0.051
  194    HE1  TYR  31           HE2      TYR  31  14.992  -3.961   1.936
  195    HE2  TYR  31           HE1      TYR  31  15.043   0.308   1.592
  196    HH   TYR  31           HH       TYR  31  17.026  -1.851   2.219
  197    H    TYR  32           H        TYR  32   8.153  -3.412   0.222
  198    HA   TYR  32           HA       TYR  32   6.631  -1.115  -0.488
  199    HB2  TYR  32           HB2      TYR  32   7.163  -1.197  -2.685
  200    HB3  TYR  32           HB3      TYR  32   7.367  -2.933  -2.747
  201    HD1  TYR  32           HD2      TYR  32   4.734  -0.619  -1.674
  202    HD2  TYR  32           HD1      TYR  32   5.611  -3.892  -4.295
  203    HE1  TYR  32           HE2      TYR  32   2.446  -0.469  -2.641
  204    HE2  TYR  32           HE1      TYR  32   3.283  -3.825  -5.131
  205    HH   TYR  32           HH       TYR  32   0.944  -1.429  -3.930
  206    H    SER  33           H        SER  33   4.945  -1.155   0.876
  207    HA   SER  33           HA       SER  33   3.764  -3.837   1.402
  208    HB2  SER  33           HB2      SER  33   3.188  -1.351   3.049
  209    HB3  SER  33           HB3      SER  33   2.651  -3.027   3.332
  210    HG   SER  33           HG       SER  33   5.337  -2.018   3.414
  211    H    GLN  34           H        GLN  34   2.000  -4.280   0.405
  212    HA   GLN  34           HA       GLN  34   0.851  -2.238  -1.298
  213    HB2  GLN  34           HB2      GLN  34   1.829  -4.198  -2.370
  214    HB3  GLN  34           HB3      GLN  34   0.842  -5.307  -1.375
  215    HG2  GLN  34           HG2      GLN  34  -1.228  -4.616  -2.513
  216    HG3  GLN  34           HG3      GLN  34  -0.406  -3.250  -3.312
  217   HE21  GLN  34          HE21      GLN  34   0.468  -3.652  -5.373
  218   HE22  GLN  34          HE22      GLN  34   0.503  -5.257  -6.076
  219    H    CYS  35           H        CYS  35  -1.489  -2.211  -1.573
  220    HA   CYS  35           HA       CYS  35  -2.972  -3.047   0.843
  221    HB2  CYS  35           HB2      CYS  35  -3.430  -1.077  -1.464
  222    HB3  CYS  35           HB3      CYS  35  -4.792  -1.515  -0.404
  223    H    LEU  36           H        LEU  36  -3.966  -4.961   0.839
  224    HA   LEU  36           HA       LEU  36  -4.833  -5.993  -1.771
  225    HB2  LEU  36           HB2      LEU  36  -4.044  -7.405   0.829
  226    HB3  LEU  36           HB3      LEU  36  -4.625  -8.228  -0.649
  227    HG   LEU  36           HG       LEU  36  -2.285  -8.493  -0.618
  228   HD11  LEU  36          HD11      LEU  36  -3.448  -7.741  -2.820
  229   HD12  LEU  36          HD12      LEU  36  -1.659  -7.534  -2.765
  230   HD13  LEU  36          HD13      LEU  36  -2.746  -6.113  -2.540
  231   HD21  LEU  36          HD21      LEU  36  -0.612  -6.901  -0.115
  232   HD22  LEU  36          HD22      LEU  36  -1.964  -6.359   0.961
  233   HD23  LEU  36          HD23      LEU  36  -1.649  -5.519  -0.580
  234    H1   MAN 101           H1       MAN  37  -9.502   2.824   0.443
  235    H2   MAN 101           H2       MAN  37  -7.667   4.006  -0.562
  236    H3   MAN 101           H3       MAN  37  -8.284   6.255   0.079
  237    H4   MAN 101           H4       MAN  37 -10.465   6.106  -2.005
  238    H5   MAN 101           H5       MAN  37 -10.748   6.138   1.059
  239    H61  MAN 101           H61      MAN  37 -12.769   5.562  -1.173
  240    H62  MAN 101           H62      MAN  37 -12.641   7.088  -0.219
  241    HO2  MAN 101           HO2      MAN  37  -9.932   3.937  -2.258
  242    HO3  MAN 101           HO3      MAN  37  -6.877   6.165  -1.677
  243    HO4  MAN 101           HO4      MAN  37 -10.237   8.205  -1.661
  244    HO6  MAN 101           HO6      MAN  37 -13.056   4.480   0.910
  245    H1   MAN 102           H1       MAN  38  -6.660   3.939  -6.995
  246    H2   MAN 102           H2       MAN  38  -4.944   2.135  -7.279
  247    H3   MAN 102           H3       MAN  38  -3.667   2.786  -5.271
  248    H4   MAN 102           H4       MAN  38  -2.611   5.087  -6.988
  249    H5   MAN 102           H5       MAN  38  -4.327   5.190  -4.453
  250    H61  MAN 102           H61      MAN  38  -3.543   7.338  -6.497
  251    H62  MAN 102           H62      MAN  38  -2.814   7.125  -4.868
  252    HO2  MAN 102           HO2      MAN  38  -4.293   2.968  -9.097
  253    HO3  MAN 102           HO3      MAN  38  -2.128   2.676  -7.662
  254    HO4  MAN 102           HO4      MAN  38  -1.361   3.867  -5.262
  255    HO6  MAN 102           HO6      MAN  38  -5.050   7.440  -4.046
  256    H1   MAN 103           H1       MAN  39   7.448  12.164   0.042
  257    H2   MAN 103           H2       MAN  39   6.322  12.452  -2.177
  258    H3   MAN 103           H3       MAN  39   7.051  10.252  -3.058
  259    H4   MAN 103           H4       MAN  39   9.762  11.629  -3.353
  260    H5   MAN 103           H5       MAN  39   8.903   9.253  -1.602
  261    H61  MAN 103           H61      MAN  39  11.531  10.838  -1.747
  262    H62  MAN 103           H62      MAN  39  11.277   9.181  -2.386
  263    HO2  MAN 103           HO2      MAN  39   9.055  13.197  -1.974
  264    HO3  MAN 103           HO3      MAN  39   7.123  10.958  -5.136
  265    HO4  MAN 103           HO4      MAN  39   8.856   9.030  -4.168
  266    HO6  MAN 103           HO6      MAN  39  10.577   8.783   0.006
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -8.357   6.803   1.555
    2    H2   THR   1           H2       THR   1  -7.129   7.408   0.549
    3    H3   THR   1           H3       THR   1  -7.015   7.608   2.243
    4    HA   THR   1           HA       THR   1  -5.991   5.578   2.356
    5    HB   THR   1           HB       THR   1  -7.467   3.530   1.241
    6   HG21  THR   1          HG21      THR   1  -9.095   3.791   3.239
    7   HG22  THR   1          HG22      THR   1  -8.200   5.298   3.667
    8   HG23  THR   1          HG23      THR   1  -7.353   3.735   3.604
    9    H    GLN   2           H        GLN   2  -5.226   3.487   0.908
   10    HA   GLN   2           HA       GLN   2  -4.873   4.337  -1.891
   11    HB2  GLN   2           HB2      GLN   2  -2.980   3.199  -0.067
   12    HB3  GLN   2           HB3      GLN   2  -3.443   1.820  -1.079
   13    HG2  GLN   2           HG2      GLN   2  -1.652   2.865  -2.309
   14    HG3  GLN   2           HG3      GLN   2  -3.134   3.315  -3.186
   15   HE21  GLN   2          HE21      GLN   2  -1.051   4.389  -0.466
   16   HE22  GLN   2          HE22      GLN   2  -1.336   6.092  -0.682
   17    H    SER   3           H        SER   3  -5.210   2.731  -3.532
   18    HA   SER   3           HA       SER   3  -7.614   1.281  -3.106
   19    HB2  SER   3           HB2      SER   3  -6.194   0.728  -5.686
   20    HB3  SER   3           HB3      SER   3  -7.804   1.519  -5.412
   21    H    HIS   4           H        HIS   4  -7.884  -0.962  -4.048
   22    HA   HIS   4           HA       HIS   4  -6.255  -2.810  -2.734
   23    HB2  HIS   4           HB2      HIS   4  -8.651  -3.074  -3.809
   24    HB3  HIS   4           HB3      HIS   4  -7.784  -3.497  -5.320
   25    HD1  HIS   4           HD1      HIS   4  -9.620  -5.521  -3.955
   26    HD2  HIS   4           HD2      HIS   4  -5.573  -5.265  -2.878
   27    HE1  HIS   4           HE1      HIS   4  -8.966  -7.758  -2.997
   28    HE2  HIS   4           HE2      HIS   4  -6.622  -7.452  -2.161
   29    H    TYR   5           H        TYR   5  -4.375  -3.675  -3.122
   30    HA   TYR   5           HA       TYR   5  -2.571  -4.393  -4.005
   31    HB2  TYR   5           HB2      TYR   5  -3.556  -3.991  -6.868
   32    HB3  TYR   5           HB3      TYR   5  -2.234  -5.071  -6.308
   33    HD1  TYR   5           HD1      TYR   5  -2.825  -7.103  -4.848
   34    HD2  TYR   5           HD2      TYR   5  -5.783  -4.672  -6.796
   35    HE1  TYR   5           HE1      TYR   5  -4.498  -8.917  -4.588
   36    HE2  TYR   5           HE2      TYR   5  -7.464  -6.464  -6.493
   37    HH   TYR   5           HH       TYR   5  -7.158  -9.291  -6.171
   38    H    GLY   6           H        GLY   6  -3.426  -1.401  -3.845
   39    HA2  GLY   6           HA2      GLY   6  -1.200  -0.139  -5.286
   40    HA3  GLY   6           HA3      GLY   6  -2.480   0.626  -4.258
   41    H    GLN   7           H        GLN   7  -0.256   1.705  -3.547
   42    HA   GLN   7           HA       GLN   7   1.112  -0.061  -1.659
   43    HB2  GLN   7           HB2      GLN   7   2.250   1.153  -3.513
   44    HB3  GLN   7           HB3      GLN   7   1.825   2.705  -2.772
   45    HG2  GLN   7           HG2      GLN   7   3.274   2.332  -0.863
   46    HG3  GLN   7           HG3      GLN   7   3.164   0.558  -1.068
   47   HE21  GLN   7          HE21      GLN   7   5.406   0.673  -0.734
   48   HE22  GLN   7          HE22      GLN   7   6.443   0.736  -2.166
   49    H    CYS   8           H        CYS   8   0.614   0.065   0.547
   50    HA   CYS   8           HA       CYS   8  -0.422   2.685   1.563
   51    HB2  CYS   8           HB2      CYS   8  -1.843   1.406   2.656
   52    HB3  CYS   8           HB3      CYS   8  -0.955  -0.106   2.262
   53    H    GLY   9           H        GLY   9   2.492   0.925   1.209
   54    HA2  GLY   9           HA2      GLY   9   3.883   2.850   2.868
   55    HA3  GLY   9           HA3      GLY   9   3.750   1.182   3.567
   56    H    GLY  10           H        GLY  10   6.280   2.457   2.699
   57    HA2  GLY  10           HA2      GLY  10   7.210   0.252   1.185
   58    HA3  GLY  10           HA3      GLY  10   7.079   1.778   0.191
   59    H    ILE  11           H        ILE  11   9.588   0.896   0.502
   60    HA   ILE  11           HA       ILE  11  10.806   2.103   2.787
   61    HB   ILE  11           HB       ILE  11  11.662   0.911   0.185
   62   HG12  ILE  11          HG12      ILE  11  11.198  -0.160   2.625
   63   HG13  ILE  11          HG13      ILE  11  12.452  -0.796   1.535
   64   HG21  ILE  11          HG21      ILE  11  14.101   1.472   0.735
   65   HG22  ILE  11          HG22      ILE  11  13.505   2.693   1.906
   66   HG23  ILE  11          HG23      ILE  11  13.136   2.862   0.150
   67   HD11  ILE  11          HD11      ILE  11  14.250   0.300   2.737
   68   HD12  ILE  11          HD12      ILE  11  13.213  -0.557   3.923
   69   HD13  ILE  11          HD13      ILE  11  13.085   1.236   3.757
   70    H    GLY  12           H        GLY  12   9.737   3.383  -0.265
   71    HA2  GLY  12           HA2      GLY  12  10.669   6.086   0.532
   72    HA3  GLY  12           HA3      GLY  12  11.002   5.399  -1.108
   73    H    TYR  13           H        TYR  13   8.082   4.625   0.581
   74    HA   TYR  13           HA       TYR  13   6.580   5.875  -1.567
   75    HB2  TYR  13           HB2      TYR  13   6.005   3.520  -0.718
   76    HB3  TYR  13           HB3      TYR  13   5.517   4.272   0.853
   77    HD1  TYR  13           HD1      TYR  13   5.101   4.793  -2.852
   78    HD2  TYR  13           HD2      TYR  13   3.184   4.742   1.012
   79    HE1  TYR  13           HE1      TYR  13   2.926   5.255  -3.926
   80    HE2  TYR  13           HE2      TYR  13   1.020   5.117  -0.070
   81    HH   TYR  13           HH       TYR  13  -0.061   5.097  -2.176
   82    H    SER  14           H        SER  14   5.214   7.617  -1.369
   83    HA   SER  14           HA       SER  14   5.029   8.935   1.305
   84    HB2  SER  14           HB2      SER  14   5.538  10.121  -1.461
   85    HB3  SER  14           HB3      SER  14   5.091  11.161  -0.019
   86    H    GLY  15           H        GLY  15   3.113   7.329  -0.805
   87    HA2  GLY  15           HA2      GLY  15   0.997   9.355  -0.979
   88    HA3  GLY  15           HA3      GLY  15   0.961   7.660  -1.558
   89    HA   PRO  16           HA       PRO  16  -1.585   8.243   2.350
   90    HB2  PRO  16           HB2      PRO  16  -3.172   6.249   0.639
   91    HB3  PRO  16           HB3      PRO  16  -3.827   7.515   1.746
   92    HG2  PRO  16           HG2      PRO  16  -3.661   7.804  -1.037
   93    HG3  PRO  16           HG3      PRO  16  -3.497   9.221   0.082
   94    HD2  PRO  16           HD2      PRO  16  -1.393   7.828  -1.543
   95    HD3  PRO  16           HD3      PRO  16  -1.378   9.488  -0.811
   96    H    THR  17           H        THR  17  -1.309   7.058   4.216
   97    HA   THR  17           HA       THR  17  -0.117   4.419   3.868
   98    HB   THR  17           HB       THR  17   1.203   5.964   5.135
   99    HG1  THR  17           HG1      THR  17  -0.023   3.872   6.552
  100   HG21  THR  17          HG21      THR  17  -0.412   7.571   5.948
  101   HG22  THR  17          HG22      THR  17   0.206   6.747   7.414
  102   HG23  THR  17          HG23      THR  17  -1.409   6.302   6.771
  103    H    VAL  18           H        VAL  18  -3.058   4.948   3.664
  104    HA   VAL  18           HA       VAL  18  -3.947   3.022   5.757
  105    HB   VAL  18           HB       VAL  18  -5.605   5.361   4.668
  106   HG11  VAL  18          HG11      VAL  18  -6.214   3.672   7.169
  107   HG12  VAL  18          HG12      VAL  18  -6.733   3.057   5.577
  108   HG13  VAL  18          HG13      VAL  18  -7.334   4.638   6.150
  109   HG21  VAL  18          HG21      VAL  18  -5.366   6.057   7.219
  110   HG22  VAL  18          HG22      VAL  18  -3.981   6.406   6.116
  111   HG23  VAL  18          HG23      VAL  18  -3.927   4.982   7.217
  112    H    CYS  19           H        CYS  19  -4.952   1.256   4.898
  113    HA   CYS  19           HA       CYS  19  -5.462   1.230   2.024
  114    HB2  CYS  19           HB2      CYS  19  -5.501  -0.837   4.285
  115    HB3  CYS  19           HB3      CYS  19  -5.968  -1.270   2.650
  116    H    ALA  20           H        ALA  20  -7.427   0.926   1.057
  117    HA   ALA  20           HA       ALA  20  -9.662   2.196   1.826
  118    HB1  ALA  20           HB1      ALA  20 -10.726   0.985  -0.003
  119    HB2  ALA  20           HB2      ALA  20  -9.749  -0.498   0.323
  120    HB3  ALA  20           HB3      ALA  20  -8.981   0.925  -0.427
  121    H    SER  21           H        SER  21 -11.785   1.623   2.604
  122    HA   SER  21           HA       SER  21 -11.624   0.100   4.971
  123    HB2  SER  21           HB2      SER  21 -13.198   2.058   4.328
  124    HB3  SER  21           HB3      SER  21 -14.178   0.850   3.426
  125    HG   SER  21           HG       SER  21 -13.635   0.956   6.241
  126    H    GLY  22           H        GLY  22 -11.747  -1.030   1.854
  127    HA2  GLY  22           HA2      GLY  22 -12.717  -3.722   2.619
  128    HA3  GLY  22           HA3      GLY  22 -12.662  -3.054   0.953
  129    H    THR  23           H        THR  23  -9.812  -2.015   2.376
  130    HA   THR  23           HA       THR  23  -8.396  -4.417   1.489
  131    HB   THR  23           HB       THR  23  -6.495  -3.134   0.622
  132    HG1  THR  23           HG1      THR  23  -6.835  -1.179   1.576
  133   HG21  THR  23          HG21      THR  23  -7.825  -3.807  -1.196
  134   HG22  THR  23          HG22      THR  23  -7.717  -2.036  -1.425
  135   HG23  THR  23          HG23      THR  23  -9.214  -2.750  -0.733
  136    H    THR  24           H        THR  24  -6.351  -4.773   2.521
  137    HA   THR  24           HA       THR  24  -5.998  -3.360   5.118
  138    HB   THR  24           HB       THR  24  -4.976  -5.664   5.860
  139    HG1  THR  24           HG1      THR  24  -6.518  -6.364   3.550
  140   HG21  THR  24          HG21      THR  24  -7.575  -6.407   6.148
  141   HG22  THR  24          HG22      THR  24  -7.857  -4.714   5.615
  142   HG23  THR  24          HG23      THR  24  -6.846  -5.042   7.063
  143    H    CYS  25           H        CYS  25  -3.972  -2.690   5.805
  144    HA   CYS  25           HA       CYS  25  -1.892  -2.553   3.834
  145    HB2  CYS  25           HB2      CYS  25  -1.936  -1.991   6.851
  146    HB3  CYS  25           HB3      CYS  25  -0.463  -1.770   5.866
  147    H    GLN  26           H        GLN  26  -0.553  -4.173   3.220
  148    HA   GLN  26           HA       GLN  26   0.523  -5.899   5.343
  149    HB2  GLN  26           HB2      GLN  26  -0.526  -7.021   2.688
  150    HB3  GLN  26           HB3      GLN  26   0.195  -7.938   4.033
  151    HG2  GLN  26           HG2      GLN  26  -1.778  -7.117   5.511
  152    HG3  GLN  26           HG3      GLN  26  -2.554  -6.523   3.996
  153   HE21  GLN  26          HE21      GLN  26  -4.310  -8.027   4.026
  154   HE22  GLN  26          HE22      GLN  26  -4.038  -9.747   3.869
  155    H    VAL  27           H        VAL  27   2.194  -7.469   4.078
  156    HA   VAL  27           HA       VAL  27   4.002  -5.581   2.698
  157    HB   VAL  27           HB       VAL  27   4.455  -7.731   4.779
  158   HG11  VAL  27          HG11      VAL  27   6.460  -6.607   2.714
  159   HG12  VAL  27          HG12      VAL  27   6.153  -8.329   3.176
  160   HG13  VAL  27          HG13      VAL  27   6.978  -7.217   4.323
  161   HG21  VAL  27          HG21      VAL  27   3.988  -5.332   5.474
  162   HG22  VAL  27          HG22      VAL  27   5.369  -4.781   4.457
  163   HG23  VAL  27          HG23      VAL  27   5.664  -5.841   5.886
  164    H    LEU  28           H        LEU  28   4.601  -6.060   0.687
  165    HA   LEU  28           HA       LEU  28   4.312  -8.878  -0.212
  166    HB2  LEU  28           HB2      LEU  28   2.956  -7.670  -1.645
  167    HB3  LEU  28           HB3      LEU  28   3.944  -6.196  -1.520
  168    HG   LEU  28           HG       LEU  28   5.600  -7.036  -3.084
  169   HD11  LEU  28          HD11      LEU  28   4.501  -9.528  -4.121
  170   HD12  LEU  28          HD12      LEU  28   4.679  -9.696  -2.348
  171   HD13  LEU  28          HD13      LEU  28   6.090  -9.213  -3.344
  172   HD21  LEU  28          HD21      LEU  28   2.740  -6.841  -3.795
  173   HD22  LEU  28          HD22      LEU  28   3.593  -7.913  -4.946
  174   HD23  LEU  28          HD23      LEU  28   4.193  -6.252  -4.694
  175    H    ASN  29           H        ASN  29   6.574  -6.091   0.162
  176    HA   ASN  29           HA       ASN  29   8.691  -8.002   0.143
  177    HB2  ASN  29           HB2      ASN  29   9.844  -7.425  -1.871
  178    HB3  ASN  29           HB3      ASN  29   8.142  -7.569  -2.376
  179   HD21  ASN  29          HD21      ASN  29   8.276  -6.131  -4.220
  180   HD22  ASN  29          HD22      ASN  29   8.579  -4.425  -3.971
  181    HA   PRO  30           HA       PRO  30  10.136  -5.096   2.956
  182    HB2  PRO  30           HB2      PRO  30  12.936  -4.645   2.059
  183    HB3  PRO  30           HB3      PRO  30  12.357  -5.736   3.352
  184    HG2  PRO  30           HG2      PRO  30  13.417  -6.563   0.809
  185    HG3  PRO  30           HG3      PRO  30  12.517  -7.594   1.990
  186    HD2  PRO  30           HD2      PRO  30  11.524  -6.293  -0.555
  187    HD3  PRO  30           HD3      PRO  30  10.940  -7.792   0.303
  188    H    TYR  31           H        TYR  31  10.079  -3.991  -0.245
  189    HA   TYR  31           HA       TYR  31  10.545  -1.185   0.473
  190    HB2  TYR  31           HB2      TYR  31  11.231  -2.729  -2.126
  191    HB3  TYR  31           HB3      TYR  31  11.312  -0.938  -1.979
  192    HD1  TYR  31           HD2      TYR  31  12.712  -4.115  -0.470
  193    HD2  TYR  31           HD1      TYR  31  13.302   0.070  -1.216
  194    HE1  TYR  31           HE2      TYR  31  14.922  -4.232   0.630
  195    HE2  TYR  31           HE1      TYR  31  15.529  -0.063  -0.135
  196    HH   TYR  31           HH       TYR  31  16.887  -3.111   1.012
  197    H    TYR  32           H        TYR  32   8.088  -3.193   0.198
  198    HA   TYR  32           HA       TYR  32   6.318  -1.331  -1.101
  199    HB2  TYR  32           HB2      TYR  32   7.344  -2.542  -3.103
  200    HB3  TYR  32           HB3      TYR  32   6.757  -4.077  -2.360
  201    HD1  TYR  32           HD2      TYR  32   5.509  -0.745  -3.622
  202    HD2  TYR  32           HD1      TYR  32   4.701  -4.871  -2.932
  203    HE1  TYR  32           HE2      TYR  32   3.238  -0.450  -4.581
  204    HE2  TYR  32           HE1      TYR  32   2.457  -4.615  -3.995
  205    HH   TYR  32           HH       TYR  32   1.472  -2.297  -5.799
  206    H    SER  33           H        SER  33   4.859  -1.213   0.489
  207    HA   SER  33           HA       SER  33   3.757  -3.688   1.606
  208    HB2  SER  33           HB2      SER  33   3.134  -0.867   2.621
  209    HB3  SER  33           HB3      SER  33   2.953  -2.423   3.472
  210    HG   SER  33           HG       SER  33   5.000  -0.759   3.541
  211    H    GLN  34           H        GLN  34   1.780  -4.243   0.882
  212    HA   GLN  34           HA       GLN  34   0.592  -2.447  -1.113
  213    HB2  GLN  34           HB2      GLN  34   1.564  -4.534  -1.890
  214    HB3  GLN  34           HB3      GLN  34   0.557  -5.488  -0.765
  215    HG2  GLN  34           HG2      GLN  34  -1.522  -4.748  -2.004
  216    HG3  GLN  34           HG3      GLN  34  -0.502  -3.697  -3.061
  217   HE21  GLN  34          HE21      GLN  34  -0.057  -4.649  -5.014
  218   HE22  GLN  34          HE22      GLN  34  -0.022  -6.389  -5.282
  219    H    CYS  35           H        CYS  35  -1.705  -2.276  -1.248
  220    HA   CYS  35           HA       CYS  35  -3.163  -2.816   1.261
  221    HB2  CYS  35           HB2      CYS  35  -3.612  -1.119  -1.238
  222    HB3  CYS  35           HB3      CYS  35  -5.023  -1.461  -0.192
  223    H    LEU  36           H        LEU  36  -4.159  -4.729   1.510
  224    HA   LEU  36           HA       LEU  36  -5.123  -6.052  -0.925
  225    HB2  LEU  36           HB2      LEU  36  -4.317  -7.072   1.843
  226    HB3  LEU  36           HB3      LEU  36  -5.061  -8.102   0.582
  227    HG   LEU  36           HG       LEU  36  -2.734  -8.521   0.523
  228   HD11  LEU  36          HD11      LEU  36  -4.055  -8.117  -1.710
  229   HD12  LEU  36          HD12      LEU  36  -2.251  -8.128  -1.815
  230   HD13  LEU  36          HD13      LEU  36  -3.143  -6.565  -1.828
  231   HD21  LEU  36          HD21      LEU  36  -2.115  -6.204   1.606
  232   HD22  LEU  36          HD22      LEU  36  -2.022  -5.606  -0.070
  233   HD23  LEU  36          HD23      LEU  36  -0.942  -6.942   0.431
  234    H1   MAN 101           H1       MAN  37  -9.297   3.067   0.076
  235    H2   MAN 101           H2       MAN  37  -7.536   4.138  -1.151
  236    H3   MAN 101           H3       MAN  37  -8.274   6.404  -0.925
  237    H4   MAN 101           H4       MAN  37 -10.443   5.699  -2.925
  238    H5   MAN 101           H5       MAN  37 -10.723   6.389   0.063
  239    H61  MAN 101           H61      MAN  37 -12.720   5.308  -1.990
  240    H62  MAN 101           H62      MAN  37 -12.623   7.016  -1.407
  241    HO2  MAN 101           HO2      MAN  37  -8.208   3.590  -3.159
  242    HO3  MAN 101           HO3      MAN  37  -7.458   6.987  -2.862
  243    HO4  MAN 101           HO4      MAN  37 -10.424   7.829  -3.067
  244    HO6  MAN 101           HO6      MAN  37 -14.181   5.563  -0.263
  245    H1   MAN 102           H1       MAN  38  -7.017   3.038  -7.262
  246    H2   MAN 102           H2       MAN  38  -5.358   1.165  -7.482
  247    H3   MAN 102           H3       MAN  38  -3.891   2.044  -5.658
  248    H4   MAN 102           H4       MAN  38  -3.047   4.032  -7.820
  249    H5   MAN 102           H5       MAN  38  -4.400   4.479  -5.097
  250    H61  MAN 102           H61      MAN  38  -3.863   6.399  -7.423
  251    H62  MAN 102           H62      MAN  38  -2.994   6.375  -5.847
  252    HO2  MAN 102           HO2      MAN  38  -5.533   2.156  -9.428
  253    HO3  MAN 102           HO3      MAN  38  -3.044   0.459  -7.165
  254    HO4  MAN 102           HO4      MAN  38  -2.040   3.697  -5.151
  255    HO6  MAN 102           HO6      MAN  38  -5.819   6.694  -6.157
  256    H1   MAN 103           H1       MAN  39   7.035  12.298   0.307
  257    H2   MAN 103           H2       MAN  39   6.631  11.754  -2.111
  258    H3   MAN 103           H3       MAN  39   7.892   9.603  -2.015
  259    H4   MAN 103           H4       MAN  39  10.344  11.426  -1.973
  260    H5   MAN 103           H5       MAN  39   9.259   9.411   0.080
  261    H61  MAN 103           H61      MAN  39  11.563  11.438   0.240
  262    H62  MAN 103           H62      MAN  39  11.739   9.652   0.101
  263    HO2  MAN 103           HO2      MAN  39   7.771  13.713  -1.597
  264    HO3  MAN 103           HO3      MAN  39   7.881  11.363  -4.030
  265    HO4  MAN 103           HO4      MAN  39  10.032   8.595  -2.235
  266    HO6  MAN 103           HO6      MAN  39  10.271  10.926   2.198
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  -7.245   6.914   3.250
    2    H2   THR   1           H2       THR   1  -8.148   6.539   1.871
    3    H3   THR   1           H3       THR   1  -6.645   7.313   1.684
    4    HA   THR   1           HA       THR   1  -5.889   5.084   2.918
    5    HB   THR   1           HB       THR   1  -7.429   3.257   1.537
    6   HG21  THR   1          HG21      THR   1  -8.959   3.133   3.536
    7   HG22  THR   1          HG22      THR   1  -8.335   4.713   4.124
    8   HG23  THR   1          HG23      THR   1  -7.242   3.304   3.984
    9    H    GLN   2           H        GLN   2  -5.175   3.163   1.189
   10    HA   GLN   2           HA       GLN   2  -4.757   4.432  -1.438
   11    HB2  GLN   2           HB2      GLN   2  -2.892   3.061   0.238
   12    HB3  GLN   2           HB3      GLN   2  -3.330   1.816  -0.940
   13    HG2  GLN   2           HG2      GLN   2  -1.501   3.106  -1.963
   14    HG3  GLN   2           HG3      GLN   2  -2.974   3.555  -2.855
   15   HE21  GLN   2          HE21      GLN   2  -1.063   4.383   0.057
   16   HE22  GLN   2          HE22      GLN   2  -1.391   6.093   0.024
   17    H    SER   3           H        SER   3  -5.092   3.150  -3.332
   18    HA   SER   3           HA       SER   3  -7.469   1.700  -3.223
   19    HB2  SER   3           HB2      SER   3  -5.843   1.290  -5.691
   20    HB3  SER   3           HB3      SER   3  -7.472   2.088  -5.492
   21    H    HIS   4           H        HIS   4  -7.762  -0.482  -4.346
   22    HA   HIS   4           HA       HIS   4  -6.257  -2.486  -3.035
   23    HB2  HIS   4           HB2      HIS   4  -8.605  -2.660  -4.195
   24    HB3  HIS   4           HB3      HIS   4  -7.708  -2.888  -5.732
   25    HD1  HIS   4           HD1      HIS   4  -9.527  -5.101  -4.694
   26    HD2  HIS   4           HD2      HIS   4  -5.530  -4.896  -3.427
   27    HE1  HIS   4           HE1      HIS   4  -8.868  -7.410  -3.906
   28    HE2  HIS   4           HE2      HIS   4  -6.561  -7.160  -2.974
   29    H    TYR   5           H        TYR   5  -4.343  -3.345  -3.435
   30    HA   TYR   5           HA       TYR   5  -2.510  -3.945  -4.338
   31    HB2  TYR   5           HB2      TYR   5  -3.400  -3.216  -7.168
   32    HB3  TYR   5           HB3      TYR   5  -2.091  -4.348  -6.686
   33    HD1  TYR   5           HD1      TYR   5  -2.752  -6.474  -5.345
   34    HD2  TYR   5           HD2      TYR   5  -5.587  -3.961  -7.371
   35    HE1  TYR   5           HE1      TYR   5  -4.418  -8.311  -5.305
   36    HE2  TYR   5           HE2      TYR   5  -7.262  -5.777  -7.300
   37    HH   TYR   5           HH       TYR   5  -7.668  -7.913  -6.749
   38    H    GLY   6           H        GLY   6  -3.397  -0.972  -3.840
   39    HA2  GLY   6           HA2      GLY   6  -1.187   0.459  -5.109
   40    HA3  GLY   6           HA3      GLY   6  -2.404   1.069  -3.914
   41    H    GLN   7           H        GLN   7  -0.387   2.078  -2.938
   42    HA   GLN   7           HA       GLN   7   1.106   0.108  -1.335
   43    HB2  GLN   7           HB2      GLN   7   2.247   1.533  -3.063
   44    HB3  GLN   7           HB3      GLN   7   1.768   2.979  -2.177
   45    HG2  GLN   7           HG2      GLN   7   3.230   2.497  -0.311
   46    HG3  GLN   7           HG3      GLN   7   3.142   0.743  -0.641
   47   HE21  GLN   7          HE21      GLN   7   5.391   0.784  -0.363
   48   HE22  GLN   7          HE22      GLN   7   6.400   1.006  -1.804
   49    H    CYS   8           H        CYS   8   0.672   0.083   0.892
   50    HA   CYS   8           HA       CYS   8  -0.353   2.614   2.125
   51    HB2  CYS   8           HB2      CYS   8  -0.851   1.060   4.109
   52    HB3  CYS   8           HB3      CYS   8  -1.782   0.833   2.624
   53    H    GLY   9           H        GLY   9   2.501   0.864   1.654
   54    HA2  GLY   9           HA2      GLY   9   3.928   2.489   3.556
   55    HA3  GLY   9           HA3      GLY   9   3.815   0.724   3.977
   56    H    GLY  10           H        GLY  10   6.296   2.261   3.164
   57    HA2  GLY  10           HA2      GLY  10   7.242   0.274   1.376
   58    HA3  GLY  10           HA3      GLY  10   7.012   1.894   0.571
   59    H    ILE  11           H        ILE  11   9.556   0.899   0.733
   60    HA   ILE  11           HA       ILE  11  10.900   2.068   2.958
   61    HB   ILE  11           HB       ILE  11  11.629   0.961   0.286
   62   HG12  ILE  11          HG12      ILE  11  11.377  -0.181   2.728
   63   HG13  ILE  11          HG13      ILE  11  12.578  -0.730   1.532
   64   HG21  ILE  11          HG21      ILE  11  14.081   1.607   0.712
   65   HG22  ILE  11          HG22      ILE  11  13.498   2.801   1.916
   66   HG23  ILE  11          HG23      ILE  11  13.029   2.955   0.182
   67   HD11  ILE  11          HD11      ILE  11  13.500  -0.516   3.873
   68   HD12  ILE  11          HD12      ILE  11  13.297   1.274   3.754
   69   HD13  ILE  11          HD13      ILE  11  14.411   0.398   2.632
   70    H    GLY  12           H        GLY  12   9.819   3.375  -0.119
   71    HA2  GLY  12           HA2      GLY  12  10.556   6.103   0.776
   72    HA3  GLY  12           HA3      GLY  12  10.910   5.499  -0.888
   73    H    TYR  13           H        TYR  13   8.081   5.021   1.254
   74    HA   TYR  13           HA       TYR  13   6.454   6.020  -0.985
   75    HB2  TYR  13           HB2      TYR  13   5.937   3.684  -0.065
   76    HB3  TYR  13           HB3      TYR  13   5.457   4.474   1.490
   77    HD1  TYR  13           HD2      TYR  13   5.043   4.955  -2.228
   78    HD2  TYR  13           HD1      TYR  13   3.105   4.902   1.622
   79    HE1  TYR  13           HE2      TYR  13   2.891   5.473  -3.311
   80    HE2  TYR  13           HE1      TYR  13   0.952   5.304   0.526
   81    HH   TYR  13           HH       TYR  13  -0.112   5.337  -1.621
   82    H    SER  14           H        SER  14   4.926   7.639  -0.738
   83    HA   SER  14           HA       SER  14   4.979   9.104   1.852
   84    HB2  SER  14           HB2      SER  14   4.904  10.574  -0.834
   85    HB3  SER  14           HB3      SER  14   5.421  11.190   0.809
   86    H    GLY  15           H        GLY  15   2.950   7.507  -0.181
   87    HA2  GLY  15           HA2      GLY  15   0.825   9.531  -0.237
   88    HA3  GLY  15           HA3      GLY  15   0.797   7.860  -0.887
   89    HA   PRO  16           HA       PRO  16  -1.712   8.164   3.040
   90    HB2  PRO  16           HB2      PRO  16  -3.199   6.127   1.309
   91    HB3  PRO  16           HB3      PRO  16  -3.909   7.355   2.422
   92    HG2  PRO  16           HG2      PRO  16  -3.741   7.655  -0.373
   93    HG3  PRO  16           HG3      PRO  16  -3.704   9.071   0.751
   94    HD2  PRO  16           HD2      PRO  16  -1.495   7.848  -0.862
   95    HD3  PRO  16           HD3      PRO  16  -1.592   9.493  -0.112
   96    H    THR  17           H        THR  17  -1.448   6.929   4.855
   97    HA   THR  17           HA       THR  17   0.053   4.456   4.509
   98    HB   THR  17           HB       THR  17   0.995   6.149   5.917
   99    HG1  THR  17           HG1      THR  17   0.281   3.709   6.902
  100   HG21  THR  17          HG21      THR  17  -0.181   6.784   8.077
  101   HG22  THR  17          HG22      THR  17  -1.669   5.964   7.501
  102   HG23  THR  17          HG23      THR  17  -1.011   7.407   6.622
  103    H    VAL  18           H        VAL  18  -2.997   4.695   4.150
  104    HA   VAL  18           HA       VAL  18  -3.780   2.565   6.082
  105    HB   VAL  18           HB       VAL  18  -5.651   4.774   5.071
  106   HG11  VAL  18          HG11      VAL  18  -7.311   3.789   6.442
  107   HG12  VAL  18          HG12      VAL  18  -6.116   3.032   7.545
  108   HG13  VAL  18          HG13      VAL  18  -6.463   2.295   5.953
  109   HG21  VAL  18          HG21      VAL  18  -3.950   4.535   7.614
  110   HG22  VAL  18          HG22      VAL  18  -5.502   5.438   7.626
  111   HG23  VAL  18          HG23      VAL  18  -4.163   5.964   6.538
  112    H    CYS  19           H        CYS  19  -4.730   0.765   5.070
  113    HA   CYS  19           HA       CYS  19  -5.120   0.937   2.179
  114    HB2  CYS  19           HB2      CYS  19  -5.223  -1.293   4.259
  115    HB3  CYS  19           HB3      CYS  19  -5.821  -1.595   2.616
  116    H    ALA  20           H        ALA  20  -6.993   0.600   1.070
  117    HA   ALA  20           HA       ALA  20  -9.265   1.875   1.874
  118    HB1  ALA  20           HB1      ALA  20 -10.317   0.925  -0.114
  119    HB2  ALA  20           HB2      ALA  20  -9.407  -0.604   0.050
  120    HB3  ALA  20           HB3      ALA  20  -8.566   0.856  -0.530
  121    H    SER  21           H        SER  21 -11.379   1.345   2.689
  122    HA   SER  21           HA       SER  21 -11.224  -0.473   4.760
  123    HB2  SER  21           HB2      SER  21 -13.933   0.354   3.635
  124    HB3  SER  21           HB3      SER  21 -13.319   0.410   5.325
  125    HG   SER  21           HG       SER  21 -12.382   2.328   4.891
  126    H    GLY  22           H        GLY  22 -11.618  -1.135   1.524
  127    HA2  GLY  22           HA2      GLY  22 -12.882  -3.785   1.927
  128    HA3  GLY  22           HA3      GLY  22 -12.648  -2.914   0.368
  129    H    THR  23           H        THR  23  -9.849  -2.490   2.099
  130    HA   THR  23           HA       THR  23  -8.570  -4.843   0.918
  131    HB   THR  23           HB       THR  23  -6.620  -3.512   0.182
  132    HG1  THR  23           HG1      THR  23  -7.944  -1.633   1.571
  133   HG21  THR  23          HG21      THR  23  -7.715  -1.945  -1.578
  134   HG22  THR  23          HG22      THR  23  -9.294  -2.608  -1.023
  135   HG23  THR  23          HG23      THR  23  -8.042  -3.710  -1.697
  136    H    THR  24           H        THR  24  -6.425  -5.227   1.939
  137    HA   THR  24           HA       THR  24  -6.171  -4.058   4.684
  138    HB   THR  24           HB       THR  24  -6.082  -6.907   3.647
  139    HG1  THR  24           HG1      THR  24  -7.989  -6.081   4.478
  140   HG21  THR  24          HG21      THR  24  -5.373  -7.496   6.079
  141   HG22  THR  24          HG22      THR  24  -4.852  -5.785   6.270
  142   HG23  THR  24          HG23      THR  24  -4.064  -6.845   5.048
  143    H    CYS  25           H        CYS  25  -4.128  -3.415   5.426
  144    HA   CYS  25           HA       CYS  25  -2.069  -3.255   3.401
  145    HB2  CYS  25           HB2      CYS  25  -2.488  -1.396   5.145
  146    HB3  CYS  25           HB3      CYS  25  -1.817  -2.500   6.368
  147    H    GLN  26           H        GLN  26  -0.572  -4.700   2.915
  148    HA   GLN  26           HA       GLN  26   0.465  -6.370   5.103
  149    HB2  GLN  26           HB2      GLN  26  -0.332  -7.586   2.402
  150    HB3  GLN  26           HB3      GLN  26   0.191  -8.458   3.876
  151    HG2  GLN  26           HG2      GLN  26  -1.951  -7.883   5.026
  152    HG3  GLN  26           HG3      GLN  26  -2.434  -6.850   3.635
  153   HE21  GLN  26          HE21      GLN  26  -4.349  -8.021   3.302
  154   HE22  GLN  26          HE22      GLN  26  -4.315  -9.582   2.540
  155    H    VAL  27           H        VAL  27   2.398  -7.635   4.301
  156    HA   VAL  27           HA       VAL  27   4.076  -5.779   2.785
  157    HB   VAL  27           HB       VAL  27   4.684  -8.150   4.580
  158   HG11  VAL  27          HG11      VAL  27   6.389  -8.358   2.925
  159   HG12  VAL  27          HG12      VAL  27   7.142  -7.283   4.153
  160   HG13  VAL  27          HG13      VAL  27   6.485  -6.573   2.640
  161   HG21  VAL  27          HG21      VAL  27   5.886  -6.239   5.833
  162   HG22  VAL  27          HG22      VAL  27   4.095  -6.099   5.798
  163   HG23  VAL  27          HG23      VAL  27   5.098  -5.077   4.706
  164    H    LEU  28           H        LEU  28   4.494  -6.059   0.671
  165    HA   LEU  28           HA       LEU  28   4.190  -8.780  -0.462
  166    HB2  LEU  28           HB2      LEU  28   2.800  -7.257  -1.566
  167    HB3  LEU  28           HB3      LEU  28   3.984  -5.924  -1.501
  168    HG   LEU  28           HG       LEU  28   5.250  -6.820  -3.359
  169   HD11  LEU  28          HD11      LEU  28   4.215  -9.432  -2.610
  170   HD12  LEU  28          HD12      LEU  28   5.563  -8.960  -3.698
  171   HD13  LEU  28          HD13      LEU  28   3.901  -9.114  -4.353
  172   HD21  LEU  28          HD21      LEU  28   2.376  -6.295  -3.600
  173   HD22  LEU  28          HD22      LEU  28   2.939  -7.382  -4.904
  174   HD23  LEU  28          HD23      LEU  28   3.750  -5.811  -4.668
  175    H    ASN  29           H        ASN  29   6.536  -6.467   0.623
  176    HA   ASN  29           HA       ASN  29   8.772  -7.973  -0.020
  177    HB2  ASN  29           HB2      ASN  29   9.668  -5.950  -1.774
  178    HB3  ASN  29           HB3      ASN  29   9.112  -7.580  -2.256
  179   HD21  ASN  29          HD21      ASN  29   6.695  -5.210  -1.152
  180   HD22  ASN  29          HD22      ASN  29   6.078  -4.985  -2.768
  181    HA   PRO  30           HA       PRO  30  10.111  -5.036   2.877
  182    HB2  PRO  30           HB2      PRO  30  12.924  -4.925   2.512
  183    HB3  PRO  30           HB3      PRO  30  12.045  -6.319   3.230
  184    HG2  PRO  30           HG2      PRO  30  13.185  -6.047   0.429
  185    HG3  PRO  30           HG3      PRO  30  13.020  -7.515   1.462
  186    HD2  PRO  30           HD2      PRO  30  11.296  -6.725  -0.654
  187    HD3  PRO  30           HD3      PRO  30  10.886  -7.957   0.621
  188    H    TYR  31           H        TYR  31   9.989  -4.065  -0.259
  189    HA   TYR  31           HA       TYR  31  10.725  -1.290   0.444
  190    HB2  TYR  31           HB2      TYR  31  11.300  -2.840  -2.165
  191    HB3  TYR  31           HB3      TYR  31  11.302  -1.041  -2.100
  192    HD1  TYR  31           HD2      TYR  31  12.913  -4.083  -0.566
  193    HD2  TYR  31           HD1      TYR  31  13.169   0.138  -1.289
  194    HE1  TYR  31           HE2      TYR  31  15.169  -4.044   0.466
  195    HE2  TYR  31           HE1      TYR  31  15.437   0.162  -0.288
  196    HH   TYR  31           HH       TYR  31  17.261  -2.560   0.296
  197    H    TYR  32           H        TYR  32   8.167  -3.289  -0.024
  198    HA   TYR  32           HA       TYR  32   6.502  -1.139  -0.776
  199    HB2  TYR  32           HB2      TYR  32   7.179  -1.391  -2.991
  200    HB3  TYR  32           HB3      TYR  32   7.114  -3.117  -3.011
  201    HD1  TYR  32           HD1      TYR  32   4.712  -4.311  -3.077
  202    HD2  TYR  32           HD2      TYR  32   5.415  -0.102  -3.547
  203    HE1  TYR  32           HE1      TYR  32   2.494  -4.035  -4.074
  204    HE2  TYR  32           HE2      TYR  32   3.119   0.175  -4.407
  205    HH   TYR  32           HH       TYR  32   0.805  -1.405  -4.065
  206    H    SER  33           H        SER  33   4.717  -1.180   0.456
  207    HA   SER  33           HA       SER  33   3.715  -3.837   1.295
  208    HB2  SER  33           HB2      SER  33   3.250  -1.179   2.756
  209    HB3  SER  33           HB3      SER  33   2.846  -2.823   3.326
  210    HG   SER  33           HG       SER  33   5.164  -3.205   3.326
  211    H    GLN  34           H        GLN  34   1.733  -4.298   0.557
  212    HA   GLN  34           HA       GLN  34   0.430  -2.132  -0.919
  213    HB2  GLN  34           HB2      GLN  34   0.822  -3.253  -2.729
  214    HB3  GLN  34           HB3      GLN  34   1.501  -4.648  -1.832
  215    HG2  GLN  34           HG2      GLN  34  -0.778  -5.627  -1.641
  216    HG3  GLN  34           HG3      GLN  34  -1.494  -4.250  -2.553
  217   HE21  GLN  34          HE21      GLN  34  -0.050  -3.853  -4.804
  218   HE22  GLN  34          HE22      GLN  34   0.072  -5.359  -5.670
  219    H    CYS  35           H        CYS  35  -1.799  -2.303  -1.323
  220    HA   CYS  35           HA       CYS  35  -3.268  -3.236   1.051
  221    HB2  CYS  35           HB2      CYS  35  -3.914  -1.374  -1.314
  222    HB3  CYS  35           HB3      CYS  35  -5.110  -1.750  -0.034
  223    H    LEU  36           H        LEU  36  -4.358  -5.117   1.007
  224    HA   LEU  36           HA       LEU  36  -5.189  -6.141  -1.622
  225    HB2  LEU  36           HB2      LEU  36  -4.671  -7.572   1.025
  226    HB3  LEU  36           HB3      LEU  36  -5.137  -8.356  -0.514
  227    HG   LEU  36           HG       LEU  36  -2.835  -8.750  -0.289
  228   HD11  LEU  36          HD11      LEU  36  -2.942  -6.250  -2.099
  229   HD12  LEU  36          HD12      LEU  36  -3.669  -7.827  -2.562
  230   HD13  LEU  36          HD13      LEU  36  -1.893  -7.705  -2.271
  231   HD21  LEU  36          HD21      LEU  36  -2.501  -6.851   1.475
  232   HD22  LEU  36          HD22      LEU  36  -2.108  -5.799   0.104
  233   HD23  LEU  36          HD23      LEU  36  -1.110  -7.254   0.395
  234    H1   MAN 101           H1       MAN  37  -9.407   3.026   0.349
  235    H2   MAN 101           H2       MAN  37  -7.474   4.000  -0.748
  236    H3   MAN 101           H3       MAN  37  -7.989   6.307  -0.246
  237    H4   MAN 101           H4       MAN  37 -10.088   6.092  -2.408
  238    H5   MAN 101           H5       MAN  37 -10.451   6.474   0.627
  239    H61  MAN 101           H61      MAN  37 -12.395   5.791  -1.642
  240    H62  MAN 101           H62      MAN  37 -12.256   7.370  -0.778
  241    HO2  MAN 101           HO2      MAN  37  -8.486   2.788  -2.163
  242    HO3  MAN 101           HO3      MAN  37  -6.808   6.883  -1.940
  243    HO4  MAN 101           HO4      MAN  37  -9.289   8.144  -2.249
  244    HO6  MAN 101           HO6      MAN  37 -12.948   4.835   0.387
  245    H1   MAN 102           H1       MAN  38  -6.815   3.930  -6.944
  246    H2   MAN 102           H2       MAN  38  -5.381   1.968  -7.546
  247    H3   MAN 102           H3       MAN  38  -3.649   2.422  -5.834
  248    H4   MAN 102           H4       MAN  38  -2.820   4.703  -7.687
  249    H5   MAN 102           H5       MAN  38  -3.941   4.836  -4.833
  250    H61  MAN 102           H61      MAN  38  -3.436   7.013  -6.926
  251    H62  MAN 102           H62      MAN  38  -2.353   6.652  -5.528
  252    HO2  MAN 102           HO2      MAN  38  -4.240   2.965  -9.290
  253    HO3  MAN 102           HO3      MAN  38  -2.507   1.192  -7.130
  254    HO4  MAN 102           HO4      MAN  38  -1.065   3.813  -6.696
  255    HO6  MAN 102           HO6      MAN  38  -4.074   8.385  -5.290
  256    H1   MAN 103           H1       MAN  39   7.714  11.720   0.428
  257    H2   MAN 103           H2       MAN  39   6.029  12.314  -1.333
  258    H3   MAN 103           H3       MAN  39   6.313  10.238  -2.649
  259    H4   MAN 103           H4       MAN  39   8.994  11.456  -3.444
  260    H5   MAN 103           H5       MAN  39   8.323   8.909  -1.856
  261    H61  MAN 103           H61      MAN  39  10.984  10.281  -2.536
  262    H62  MAN 103           H62      MAN  39  10.407   8.696  -3.166
  263    HO2  MAN 103           HO2      MAN  39   7.364  13.698  -2.482
  264    HO3  MAN 103           HO3      MAN  39   5.441  11.488  -4.116
  265    HO4  MAN 103           HO4      MAN  39   7.595   9.138  -4.378
  266    HO6  MAN 103           HO6      MAN  39  10.704   9.265  -0.384
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  -8.816   6.701   2.021
    2    H2   THR   1           H2       THR   1  -7.572   7.602   1.286
    3    H3   THR   1           H3       THR   1  -7.639   7.472   2.989
    4    HA   THR   1           HA       THR   1  -6.397   5.606   2.840
    5    HB   THR   1           HB       THR   1  -7.500   3.614   1.345
    6   HG21  THR   1          HG21      THR   1  -8.734   4.929   3.878
    7   HG22  THR   1          HG22      THR   1  -7.463   3.684   3.784
    8   HG23  THR   1          HG23      THR   1  -9.127   3.281   3.286
    9    H    GLN   2           H        GLN   2  -5.361   3.838   1.025
   10    HA   GLN   2           HA       GLN   2  -4.361   5.518  -1.162
   11    HB2  GLN   2           HB2      GLN   2  -2.797   4.137   0.337
   12    HB3  GLN   2           HB3      GLN   2  -3.503   2.658  -0.268
   13    HG2  GLN   2           HG2      GLN   2  -1.624   3.015  -1.782
   14    HG3  GLN   2           HG3      GLN   2  -2.941   3.639  -2.772
   15   HE21  GLN   2          HE21      GLN   2  -0.597   4.677  -0.301
   16   HE22  GLN   2          HE22      GLN   2  -0.658   6.370  -0.694
   17    H    SER   3           H        SER   3  -4.822   1.932  -1.280
   18    HA   SER   3           HA       SER   3  -6.941   2.082  -3.058
   19    HB2  SER   3           HB2      SER   3  -5.157   2.947  -4.728
   20    HB3  SER   3           HB3      SER   3  -4.232   1.440  -4.415
   21    H    HIS   4           H        HIS   4  -6.553  -0.287  -4.440
   22    HA   HIS   4           HA       HIS   4  -6.135  -2.360  -2.388
   23    HB2  HIS   4           HB2      HIS   4  -8.597  -2.278  -3.287
   24    HB3  HIS   4           HB3      HIS   4  -7.945  -2.543  -4.929
   25    HD1  HIS   4           HD1      HIS   4  -9.663  -4.709  -4.449
   26    HD2  HIS   4           HD2      HIS   4  -6.036  -4.742  -2.342
   27    HE1  HIS   4           HE1      HIS   4  -9.287  -7.093  -3.626
   28    HE2  HIS   4           HE2      HIS   4  -7.247  -6.919  -2.100
   29    H    TYR   5           H        TYR   5  -4.297  -3.234  -2.878
   30    HA   TYR   5           HA       TYR   5  -2.591  -4.031  -3.887
   31    HB2  TYR   5           HB2      TYR   5  -3.665  -3.426  -6.690
   32    HB3  TYR   5           HB3      TYR   5  -2.411  -4.626  -6.238
   33    HD1  TYR   5           HD1      TYR   5  -3.270  -6.354  -4.293
   34    HD2  TYR   5           HD2      TYR   5  -5.728  -4.260  -7.124
   35    HE1  TYR   5           HE1      TYR   5  -5.013  -8.111  -4.084
   36    HE2  TYR   5           HE2      TYR   5  -7.461  -6.008  -6.929
   37    HH   TYR   5           HH       TYR   5  -7.719  -8.288  -6.272
   38    H    GLY   6           H        GLY   6  -3.396  -0.930  -3.846
   39    HA2  GLY   6           HA2      GLY   6  -0.966   0.089  -5.175
   40    HA3  GLY   6           HA3      GLY   6  -2.205   1.044  -4.290
   41    H    GLN   7           H        GLN   7   0.093   1.919  -3.558
   42    HA   GLN   7           HA       GLN   7   1.326   0.146  -1.647
   43    HB2  GLN   7           HB2      GLN   7   2.476   1.503  -3.445
   44    HB3  GLN   7           HB3      GLN   7   2.074   2.980  -2.571
   45    HG2  GLN   7           HG2      GLN   7   3.537   2.469  -0.732
   46    HG3  GLN   7           HG3      GLN   7   3.371   0.710  -1.013
   47   HE21  GLN   7          HE21      GLN   7   5.644   0.753  -0.710
   48   HE22  GLN   7          HE22      GLN   7   6.651   0.858  -2.167
   49    H    CYS   8           H        CYS   8   0.909   0.238   0.598
   50    HA   CYS   8           HA       CYS   8  -0.067   2.860   1.690
   51    HB2  CYS   8           HB2      CYS   8  -1.488   1.466   2.670
   52    HB3  CYS   8           HB3      CYS   8  -0.452   0.013   2.430
   53    H    GLY   9           H        GLY   9   2.786   0.985   1.302
   54    HA2  GLY   9           HA2      GLY   9   4.291   2.803   2.997
   55    HA3  GLY   9           HA3      GLY   9   4.115   1.094   3.588
   56    H    GLY  10           H        GLY  10   6.641   2.421   2.676
   57    HA2  GLY  10           HA2      GLY  10   7.503   0.266   1.044
   58    HA3  GLY  10           HA3      GLY  10   7.355   1.835   0.126
   59    H    ILE  11           H        ILE  11   9.849   0.785   0.359
   60    HA   ILE  11           HA       ILE  11  11.210   1.994   2.559
   61    HB   ILE  11           HB       ILE  11  11.934   0.728  -0.048
   62   HG12  ILE  11          HG12      ILE  11  11.517  -0.277   2.421
   63   HG13  ILE  11          HG13      ILE  11  12.722  -0.977   1.310
   64   HG21  ILE  11          HG21      ILE  11  13.871   2.501   1.575
   65   HG22  ILE  11          HG22      ILE  11  13.468   2.619  -0.177
   66   HG23  ILE  11          HG23      ILE  11  14.410   1.221   0.434
   67   HD11  ILE  11          HD11      ILE  11  13.558  -0.716   3.673
   68   HD12  ILE  11          HD12      ILE  11  13.440   1.075   3.496
   69   HD13  ILE  11          HD13      ILE  11  14.580   0.126   2.463
   70    H    GLY  12           H        GLY  12  10.176   3.194  -0.557
   71    HA2  GLY  12           HA2      GLY  12  11.093   5.911   0.176
   72    HA3  GLY  12           HA3      GLY  12  11.376   5.206  -1.463
   73    H    TYR  13           H        TYR  13   8.497   4.674   0.555
   74    HA   TYR  13           HA       TYR  13   6.967   5.824  -1.671
   75    HB2  TYR  13           HB2      TYR  13   6.335   3.536  -0.825
   76    HB3  TYR  13           HB3      TYR  13   5.925   4.274   0.778
   77    HD1  TYR  13           HD1      TYR  13   5.410   4.806  -2.905
   78    HD2  TYR  13           HD2      TYR  13   3.631   4.922   1.018
   79    HE1  TYR  13           HE1      TYR  13   3.258   5.464  -3.908
   80    HE2  TYR  13           HE2      TYR  13   1.476   5.514   0.013
   81    HH   TYR  13           HH       TYR  13   0.336   5.518  -2.169
   82    H    SER  14           H        SER  14   5.767   7.667  -1.538
   83    HA   SER  14           HA       SER  14   5.615   8.998   1.101
   84    HB2  SER  14           HB2      SER  14   6.104  10.726  -1.353
   85    HB3  SER  14           HB3      SER  14   6.584  10.969   0.390
   86    H    GLY  15           H        GLY  15   3.388   7.802   0.682
   87    HA2  GLY  15           HA2      GLY  15   1.575   9.888  -0.267
   88    HA3  GLY  15           HA3      GLY  15   1.531   8.268  -1.080
   89    HA   PRO  16           HA       PRO  16  -1.420   8.403   2.519
   90    HB2  PRO  16           HB2      PRO  16  -2.774   6.461   0.586
   91    HB3  PRO  16           HB3      PRO  16  -3.546   7.707   1.620
   92    HG2  PRO  16           HG2      PRO  16  -3.067   8.035  -1.120
   93    HG3  PRO  16           HG3      PRO  16  -3.094   9.424   0.035
   94    HD2  PRO  16           HD2      PRO  16  -0.745   8.143  -1.336
   95    HD3  PRO  16           HD3      PRO  16  -0.894   9.795  -0.602
   96    H    THR  17           H        THR  17  -1.419   7.081   4.294
   97    HA   THR  17           HA       THR  17  -0.038   4.474   3.990
   98    HB   THR  17           HB       THR  17   1.182   6.286   5.121
   99    HG1  THR  17           HG1      THR  17   1.263   4.983   7.233
  100   HG21  THR  17          HG21      THR  17  -0.641   6.019   7.571
  101   HG22  THR  17          HG22      THR  17  -1.213   7.085   6.252
  102   HG23  THR  17          HG23      THR  17   0.377   7.405   7.016
  103    H    VAL  18           H        VAL  18  -2.952   5.097   3.782
  104    HA   VAL  18           HA       VAL  18  -3.870   3.216   5.909
  105    HB   VAL  18           HB       VAL  18  -5.512   5.528   4.763
  106   HG11  VAL  18          HG11      VAL  18  -6.184   3.853   7.248
  107   HG12  VAL  18          HG12      VAL  18  -6.604   3.176   5.653
  108   HG13  VAL  18          HG13      VAL  18  -7.289   4.756   6.160
  109   HG21  VAL  18          HG21      VAL  18  -3.960   6.602   6.237
  110   HG22  VAL  18          HG22      VAL  18  -3.868   5.172   7.325
  111   HG23  VAL  18          HG23      VAL  18  -5.337   6.207   7.336
  112    H    CYS  19           H        CYS  19  -4.204   1.328   4.857
  113    HA   CYS  19           HA       CYS  19  -4.864   1.265   2.088
  114    HB2  CYS  19           HB2      CYS  19  -4.896  -0.769   4.345
  115    HB3  CYS  19           HB3      CYS  19  -5.427  -1.234   2.720
  116    H    ALA  20           H        ALA  20  -6.714   0.727   1.042
  117    HA   ALA  20           HA       ALA  20  -8.975   2.159   1.537
  118    HB1  ALA  20           HB1      ALA  20  -9.186  -0.533   0.139
  119    HB2  ALA  20           HB2      ALA  20  -8.136   0.709  -0.599
  120    HB3  ALA  20           HB3      ALA  20  -9.904   1.017  -0.370
  121    H    SER  21           H        SER  21 -11.205   1.776   2.259
  122    HA   SER  21           HA       SER  21 -11.161   0.461   4.705
  123    HB2  SER  21           HB2      SER  21 -13.840   0.790   4.180
  124    HB3  SER  21           HB3      SER  21 -12.731   2.125   4.656
  125    HG   SER  21           HG       SER  21 -13.994   2.533   2.704
  126    H    GLY  22           H        GLY  22 -11.518  -0.906   1.627
  127    HA2  GLY  22           HA2      GLY  22 -12.586  -3.450   2.710
  128    HA3  GLY  22           HA3      GLY  22 -12.399  -2.986   0.983
  129    H    THR  23           H        THR  23  -9.605  -2.064   2.608
  130    HA   THR  23           HA       THR  23  -8.238  -4.557   1.910
  131    HB   THR  23           HB       THR  23  -6.413  -3.376   0.777
  132    HG1  THR  23           HG1      THR  23  -7.612  -1.287   1.881
  133   HG21  THR  23          HG21      THR  23  -7.782  -2.064  -1.110
  134   HG22  THR  23          HG22      THR  23  -9.196  -2.887  -0.373
  135   HG23  THR  23          HG23      THR  23  -7.818  -3.863  -0.973
  136    H    THR  24           H        THR  24  -6.092  -4.699   2.874
  137    HA   THR  24           HA       THR  24  -5.640  -2.857   5.191
  138    HB   THR  24           HB       THR  24  -5.973  -5.828   5.016
  139    HG1  THR  24           HG1      THR  24  -6.472  -4.944   7.369
  140   HG21  THR  24          HG21      THR  24  -4.157  -4.453   7.136
  141   HG22  THR  24          HG22      THR  24  -3.630  -5.693   5.939
  142   HG23  THR  24          HG23      THR  24  -4.789  -6.141   7.227
  143    H    CYS  25           H        CYS  25  -3.480  -2.463   5.907
  144    HA   CYS  25           HA       CYS  25  -1.529  -2.549   3.807
  145    HB2  CYS  25           HB2      CYS  25  -1.158  -1.967   6.800
  146    HB3  CYS  25           HB3      CYS  25   0.082  -1.684   5.542
  147    H    GLN  26           H        GLN  26  -0.367  -4.289   3.152
  148    HA   GLN  26           HA       GLN  26   0.689  -6.011   5.302
  149    HB2  GLN  26           HB2      GLN  26  -0.394  -7.207   2.702
  150    HB3  GLN  26           HB3      GLN  26   0.108  -8.063   4.184
  151    HG2  GLN  26           HG2      GLN  26  -1.885  -7.072   5.410
  152    HG3  GLN  26           HG3      GLN  26  -2.387  -6.250   3.884
  153   HE21  GLN  26          HE21      GLN  26  -4.259  -7.780   4.966
  154   HE22  GLN  26          HE22      GLN  26  -4.467  -9.210   3.997
  155    H    VAL  27           H        VAL  27   2.586  -7.228   4.611
  156    HA   VAL  27           HA       VAL  27   4.183  -5.559   2.821
  157    HB   VAL  27           HB       VAL  27   4.830  -7.696   4.864
  158   HG11  VAL  27          HG11      VAL  27   6.630  -6.379   2.732
  159   HG12  VAL  27          HG12      VAL  27   6.450  -8.140   3.107
  160   HG13  VAL  27          HG13      VAL  27   7.289  -7.047   4.263
  161   HG21  VAL  27          HG21      VAL  27   5.688  -4.728   4.573
  162   HG22  VAL  27          HG22      VAL  27   5.931  -5.804   5.995
  163   HG23  VAL  27          HG23      VAL  27   4.275  -5.258   5.561
  164    H    LEU  28           H        LEU  28   4.453  -6.046   0.717
  165    HA   LEU  28           HA       LEU  28   4.163  -8.874  -0.111
  166    HB2  LEU  28           HB2      LEU  28   2.736  -7.472  -1.346
  167    HB3  LEU  28           HB3      LEU  28   3.921  -6.141  -1.432
  168    HG   LEU  28           HG       LEU  28   5.199  -7.251  -3.166
  169   HD11  LEU  28          HD11      LEU  28   4.415  -9.721  -2.174
  170   HD12  LEU  28          HD12      LEU  28   5.289  -9.384  -3.700
  171   HD13  LEU  28          HD13      LEU  28   3.499  -9.612  -3.712
  172   HD21  LEU  28          HD21      LEU  28   2.412  -6.519  -3.463
  173   HD22  LEU  28          HD22      LEU  28   2.761  -7.863  -4.591
  174   HD23  LEU  28          HD23      LEU  28   3.760  -6.378  -4.657
  175    H    ASN  29           H        ASN  29   6.505  -6.494   0.728
  176    HA   ASN  29           HA       ASN  29   8.743  -8.019   0.138
  177    HB2  ASN  29           HB2      ASN  29   9.568  -6.023  -1.716
  178    HB3  ASN  29           HB3      ASN  29   9.122  -7.711  -2.099
  179   HD21  ASN  29          HD21      ASN  29   6.595  -5.366  -1.164
  180   HD22  ASN  29          HD22      ASN  29   5.932  -5.340  -2.767
  181    HA   PRO  30           HA       PRO  30  10.075  -4.953   2.878
  182    HB2  PRO  30           HB2      PRO  30  12.884  -4.719   2.324
  183    HB3  PRO  30           HB3      PRO  30  12.104  -6.007   3.303
  184    HG2  PRO  30           HG2      PRO  30  13.196  -6.198   0.512
  185    HG3  PRO  30           HG3      PRO  30  12.879  -7.500   1.712
  186    HD2  PRO  30           HD2      PRO  30  11.269  -6.743  -0.563
  187    HD3  PRO  30           HD3      PRO  30  10.834  -7.955   0.722
  188    H    TYR  31           H        TYR  31  10.236  -4.209  -0.442
  189    HA   TYR  31           HA       TYR  31  10.748  -1.351   0.146
  190    HB2  TYR  31           HB2      TYR  31  11.299  -2.970  -2.432
  191    HB3  TYR  31           HB3      TYR  31  11.467  -1.182  -2.297
  192    HD1  TYR  31           HD2      TYR  31  12.702  -4.419  -0.818
  193    HD2  TYR  31           HD1      TYR  31  13.492  -0.253  -1.476
  194    HE1  TYR  31           HE2      TYR  31  14.915  -4.662   0.281
  195    HE2  TYR  31           HE1      TYR  31  15.717  -0.515  -0.426
  196    HH   TYR  31           HH       TYR  31  17.231  -2.000   0.429
  197    H    TYR  32           H        TYR  32   8.210  -3.367  -0.182
  198    HA   TYR  32           HA       TYR  32   6.557  -1.285  -1.145
  199    HB2  TYR  32           HB2      TYR  32   7.188  -1.763  -3.322
  200    HB3  TYR  32           HB3      TYR  32   7.123  -3.481  -3.175
  201    HD1  TYR  32           HD2      TYR  32   5.379  -0.452  -3.646
  202    HD2  TYR  32           HD1      TYR  32   4.766  -4.683  -3.463
  203    HE1  TYR  32           HE2      TYR  32   3.073  -0.157  -4.465
  204    HE2  TYR  32           HE1      TYR  32   2.503  -4.389  -4.366
  205    HH   TYR  32           HH       TYR  32   1.204  -2.657  -5.627
  206    H    SER  33           H        SER  33   4.967  -1.128   0.304
  207    HA   SER  33           HA       SER  33   3.892  -3.644   1.413
  208    HB2  SER  33           HB2      SER  33   3.335  -0.841   2.500
  209    HB3  SER  33           HB3      SER  33   3.029  -2.412   3.283
  210    HG   SER  33           HG       SER  33   5.278  -2.629   3.531
  211    H    GLN  34           H        GLN  34   2.006  -4.241   0.621
  212    HA   GLN  34           HA       GLN  34   0.699  -2.400  -1.247
  213    HB2  GLN  34           HB2      GLN  34   1.658  -4.501  -2.091
  214    HB3  GLN  34           HB3      GLN  34   0.677  -5.459  -0.941
  215    HG2  GLN  34           HG2      GLN  34  -1.418  -4.757  -2.070
  216    HG3  GLN  34           HG3      GLN  34  -0.507  -3.566  -3.079
  217   HE21  GLN  34          HE21      GLN  34  -0.321  -4.323  -5.152
  218   HE22  GLN  34          HE22      GLN  34  -0.111  -6.018  -5.574
  219    H    CYS  35           H        CYS  35  -1.615  -2.329  -1.249
  220    HA   CYS  35           HA       CYS  35  -2.883  -2.887   1.357
  221    HB2  CYS  35           HB2      CYS  35  -3.593  -1.233  -1.145
  222    HB3  CYS  35           HB3      CYS  35  -4.758  -1.459   0.218
  223    H    LEU  36           H        LEU  36  -4.034  -4.755   1.623
  224    HA   LEU  36           HA       LEU  36  -5.182  -5.930  -0.834
  225    HB2  LEU  36           HB2      LEU  36  -4.152  -7.276   1.721
  226    HB3  LEU  36           HB3      LEU  36  -4.896  -8.106   0.322
  227    HG   LEU  36           HG       LEU  36  -2.583  -8.446   0.100
  228   HD11  LEU  36          HD11      LEU  36  -3.147  -6.038  -1.758
  229   HD12  LEU  36          HD12      LEU  36  -3.937  -7.634  -1.963
  230   HD13  LEU  36          HD13      LEU  36  -2.143  -7.490  -2.109
  231   HD21  LEU  36          HD21      LEU  36  -1.788  -5.521   0.037
  232   HD22  LEU  36          HD22      LEU  36  -0.821  -6.955   0.507
  233   HD23  LEU  36          HD23      LEU  36  -2.073  -6.278   1.625
  234    H1   MAN 101           H1       MAN  37  -9.354   3.111  -0.063
  235    H2   MAN 101           H2       MAN  37  -7.535   4.408  -0.924
  236    H3   MAN 101           H3       MAN  37  -8.486   6.622  -0.336
  237    H4   MAN 101           H4       MAN  37 -10.361   6.148  -2.675
  238    H5   MAN 101           H5       MAN  37 -10.956   6.317   0.337
  239    H61  MAN 101           H61      MAN  37 -12.663   5.500  -2.071
  240    H62  MAN 101           H62      MAN  37 -12.807   7.031  -1.134
  241    HO2  MAN 101           HO2      MAN  37  -9.211   3.185  -2.433
  242    HO3  MAN 101           HO3      MAN  37  -7.562   6.128  -2.934
  243    HO4  MAN 101           HO4      MAN  37  -9.932   8.313  -2.382
  244    HO6  MAN 101           HO6      MAN  37 -13.329   5.672   0.735
  245    H1   MAN 102           H1       MAN  38  -6.319   2.791  -6.715
  246    H2   MAN 102           H2       MAN  38  -7.622   3.236  -4.646
  247    H3   MAN 102           H3       MAN  38  -8.150   0.868  -4.124
  248    H4   MAN 102           H4       MAN  38 -10.104   0.941  -6.414
  249    H5   MAN 102           H5       MAN  38  -7.474  -0.625  -6.122
  250    H61  MAN 102           H61      MAN  38  -9.324  -0.226  -8.532
  251    H62  MAN 102           H62      MAN  38  -9.330  -1.668  -7.461
  252    HO2  MAN 102           HO2      MAN  38  -8.891   3.055  -7.136
  253    HO3  MAN 102           HO3      MAN  38 -10.318   2.605  -4.321
  254    HO4  MAN 102           HO4      MAN  38 -10.537  -0.340  -4.492
  255    HO6  MAN 102           HO6      MAN  38  -6.804  -0.972  -8.433
  256    H1   MAN 103           H1       MAN  39   9.032  11.071   0.153
  257    H2   MAN 103           H2       MAN  39   7.523  12.349  -1.401
  258    H3   MAN 103           H3       MAN  39   7.387  10.526  -3.097
  259    H4   MAN 103           H4       MAN  39  10.231  11.420  -3.729
  260    H5   MAN 103           H5       MAN  39   9.115   8.745  -2.706
  261    H61  MAN 103           H61      MAN  39  11.955   9.786  -3.247
  262    H62  MAN 103           H62      MAN  39  11.114   8.432  -4.093
  263    HO2  MAN 103           HO2      MAN  39   9.151  13.650  -1.296
  264    HO3  MAN 103           HO3      MAN  39   7.570  11.901  -4.910
  265    HO4  MAN 103           HO4      MAN  39   9.894  10.498  -5.591
  266    HO6  MAN 103           HO6      MAN  39  11.407   8.364  -1.291
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -8.683   6.609   1.588
    2    H2   THR   1           H2       THR   1  -7.445   7.326   0.668
    3    H3   THR   1           H3       THR   1  -7.420   7.457   2.367
    4    HA   THR   1           HA       THR   1  -6.313   5.496   2.473
    5    HB   THR   1           HB       THR   1  -7.506   3.404   1.172
    6   HG21  THR   1          HG21      THR   1  -9.217   3.392   3.098
    7   HG22  THR   1          HG22      THR   1  -8.639   5.030   3.560
    8   HG23  THR   1          HG23      THR   1  -7.517   3.649   3.576
    9    H    GLN   2           H        GLN   2  -5.291   3.505   0.814
   10    HA   GLN   2           HA       GLN   2  -4.347   5.009  -1.524
   11    HB2  GLN   2           HB2      GLN   2  -2.772   3.776   0.116
   12    HB3  GLN   2           HB3      GLN   2  -3.372   2.247  -0.495
   13    HG2  GLN   2           HG2      GLN   2  -1.450   2.790  -1.902
   14    HG3  GLN   2           HG3      GLN   2  -2.796   3.182  -2.974
   15   HE21  GLN   2          HE21      GLN   2  -0.703   4.622  -0.460
   16   HE22  GLN   2          HE22      GLN   2  -0.910   6.275  -0.976
   17    H    SER   3           H        SER   3  -4.573   1.389  -1.573
   18    HA   SER   3           HA       SER   3  -6.887   1.397  -3.080
   19    HB2  SER   3           HB2      SER   3  -5.370   2.291  -5.016
   20    HB3  SER   3           HB3      SER   3  -4.378   0.809  -4.814
   21    H    HIS   4           H        HIS   4  -6.890  -0.949  -4.340
   22    HA   HIS   4           HA       HIS   4  -6.079  -2.919  -2.299
   23    HB2  HIS   4           HB2      HIS   4  -8.525  -3.031  -3.184
   24    HB3  HIS   4           HB3      HIS   4  -7.866  -3.314  -4.823
   25    HD1  HIS   4           HD1      HIS   4  -9.517  -5.544  -3.938
   26    HD2  HIS   4           HD2      HIS   4  -5.571  -5.293  -2.537
   27    HE1  HIS   4           HE1      HIS   4  -8.853  -7.872  -3.157
   28    HE2  HIS   4           HE2      HIS   4  -6.533  -7.620  -2.202
   29    H    TYR   5           H        TYR   5  -4.140  -3.531  -2.695
   30    HA   TYR   5           HA       TYR   5  -2.382  -4.285  -3.624
   31    HB2  TYR   5           HB2      TYR   5  -3.460  -3.869  -6.462
   32    HB3  TYR   5           HB3      TYR   5  -2.033  -4.844  -5.993
   33    HD1  TYR   5           HD1      TYR   5  -2.554  -6.676  -4.055
   34    HD2  TYR   5           HD2      TYR   5  -5.438  -5.025  -6.775
   35    HE1  TYR   5           HE1      TYR   5  -3.993  -8.668  -3.741
   36    HE2  TYR   5           HE2      TYR   5  -6.889  -7.004  -6.441
   37    HH   TYR   5           HH       TYR   5  -6.283  -9.659  -5.619
   38    H    GLY   6           H        GLY   6  -3.449  -1.298  -3.535
   39    HA2  GLY   6           HA2      GLY   6  -1.212   0.041  -4.880
   40    HA3  GLY   6           HA3      GLY   6  -2.466   0.789  -3.829
   41    H    GLN   7           H        GLN   7   0.029   1.730  -3.455
   42    HA   GLN   7           HA       GLN   7   1.353   0.132  -1.453
   43    HB2  GLN   7           HB2      GLN   7   2.433   1.340  -3.356
   44    HB3  GLN   7           HB3      GLN   7   1.972   2.903  -2.642
   45    HG2  GLN   7           HG2      GLN   7   3.457   2.654  -0.766
   46    HG3  GLN   7           HG3      GLN   7   3.399   0.867  -0.886
   47   HE21  GLN   7          HE21      GLN   7   5.651   1.027  -0.646
   48   HE22  GLN   7          HE22      GLN   7   6.638   1.094  -2.114
   49    H    CYS   8           H        CYS   8   0.927   0.352   0.798
   50    HA   CYS   8           HA       CYS   8  -0.065   3.008   1.755
   51    HB2  CYS   8           HB2      CYS   8  -0.314   1.625   3.985
   52    HB3  CYS   8           HB3      CYS   8  -1.426   1.372   2.652
   53    H    GLY   9           H        GLY   9   2.804   1.284   1.397
   54    HA2  GLY   9           HA2      GLY   9   4.294   3.148   3.001
   55    HA3  GLY   9           HA3      GLY   9   4.170   1.472   3.698
   56    H    GLY  10           H        GLY  10   6.649   2.779   2.653
   57    HA2  GLY  10           HA2      GLY  10   7.541   0.555   1.114
   58    HA3  GLY  10           HA3      GLY  10   7.371   2.095   0.147
   59    H    ILE  11           H        ILE  11   9.915   1.053   0.588
   60    HA   ILE  11           HA       ILE  11  11.190   2.315   2.735
   61    HB   ILE  11           HB       ILE  11  11.966   1.254   0.056
   62   HG12  ILE  11          HG12      ILE  11  11.723   0.113   2.496
   63   HG13  ILE  11          HG13      ILE  11  12.933  -0.441   1.314
   64   HG21  ILE  11          HG21      ILE  11  14.401   1.941   0.472
   65   HG22  ILE  11          HG22      ILE  11  13.808   3.110   1.697
   66   HG23  ILE  11          HG23      ILE  11  13.324   3.278  -0.032
   67   HD11  ILE  11          HD11      ILE  11  13.578   1.595   3.538
   68   HD12  ILE  11          HD12      ILE  11  14.743   0.763   2.433
   69   HD13  ILE  11          HD13      ILE  11  13.841  -0.185   3.660
   70    H    GLY  12           H        GLY  12  10.134   3.642  -0.339
   71    HA2  GLY  12           HA2      GLY  12  10.764   6.355   0.689
   72    HA3  GLY  12           HA3      GLY  12  11.085   5.855  -1.014
   73    H    TYR  13           H        TYR  13   8.253   5.183   1.137
   74    HA   TYR  13           HA       TYR  13   6.629   6.392  -1.019
   75    HB2  TYR  13           HB2      TYR  13   6.253   3.910  -0.409
   76    HB3  TYR  13           HB3      TYR  13   5.574   4.506   1.160
   77    HD1  TYR  13           HD2      TYR  13   5.426   4.911  -2.559
   78    HD2  TYR  13           HD1      TYR  13   3.275   5.238   1.163
   79    HE1  TYR  13           HE2      TYR  13   3.342   5.348  -3.804
   80    HE2  TYR  13           HE1      TYR  13   1.209   5.635  -0.076
   81    HH   TYR  13           HH       TYR  13   0.253   5.427  -2.337
   82    H    SER  14           H        SER  14   5.427   8.069  -0.685
   83    HA   SER  14           HA       SER  14   5.203   9.286   2.001
   84    HB2  SER  14           HB2      SER  14   5.671  11.486   1.086
   85    HB3  SER  14           HB3      SER  14   6.979  10.417   0.465
   86    H    GLY  15           H        GLY  15   3.355   7.782  -0.094
   87    HA2  GLY  15           HA2      GLY  15   1.280   9.825  -0.467
   88    HA3  GLY  15           HA3      GLY  15   1.380   8.171  -1.173
   89    HA   PRO  16           HA       PRO  16  -1.765   8.361   2.256
   90    HB2  PRO  16           HB2      PRO  16  -2.944   6.238   0.402
   91    HB3  PRO  16           HB3      PRO  16  -3.808   7.526   1.307
   92    HG2  PRO  16           HG2      PRO  16  -3.150   7.632  -1.438
   93    HG3  PRO  16           HG3      PRO  16  -3.413   9.101  -0.422
   94    HD2  PRO  16           HD2      PRO  16  -0.867   8.048  -1.556
   95    HD3  PRO  16           HD3      PRO  16  -1.201   9.661  -0.794
   96    H    THR  17           H        THR  17  -1.644   7.224   4.123
   97    HA   THR  17           HA       THR  17  -0.178   4.674   4.011
   98    HB   THR  17           HB       THR  17   0.718   6.721   5.168
   99    HG1  THR  17           HG1      THR  17   1.258   4.484   5.695
  100   HG21  THR  17          HG21      THR  17  -1.084   6.095   7.550
  101   HG22  THR  17          HG22      THR  17  -1.788   7.115   6.249
  102   HG23  THR  17          HG23      THR  17  -0.277   7.627   7.078
  103    H    VAL  18           H        VAL  18  -3.181   5.192   3.731
  104    HA   VAL  18           HA       VAL  18  -4.072   3.320   5.880
  105    HB   VAL  18           HB       VAL  18  -5.781   5.485   4.561
  106   HG11  VAL  18          HG11      VAL  18  -7.549   4.732   6.004
  107   HG12  VAL  18          HG12      VAL  18  -6.423   3.874   7.107
  108   HG13  VAL  18          HG13      VAL  18  -6.828   3.163   5.526
  109   HG21  VAL  18          HG21      VAL  18  -4.332   5.301   7.273
  110   HG22  VAL  18          HG22      VAL  18  -5.721   6.408   6.998
  111   HG23  VAL  18          HG23      VAL  18  -4.199   6.614   6.052
  112    H    CYS  19           H        CYS  19  -4.483   1.378   5.001
  113    HA   CYS  19           HA       CYS  19  -5.032   1.106   2.208
  114    HB2  CYS  19           HB2      CYS  19  -5.177  -0.808   4.581
  115    HB3  CYS  19           HB3      CYS  19  -5.496  -1.328   2.910
  116    H    ALA  20           H        ALA  20  -6.848   0.529   1.159
  117    HA   ALA  20           HA       ALA  20  -9.120   2.002   1.551
  118    HB1  ALA  20           HB1      ALA  20  -8.331   0.622  -0.565
  119    HB2  ALA  20           HB2      ALA  20 -10.108   0.669  -0.234
  120    HB3  ALA  20           HB3      ALA  20  -9.146  -0.760   0.229
  121    H    SER  21           H        SER  21 -11.260   1.668   2.308
  122    HA   SER  21           HA       SER  21 -11.333   0.374   4.766
  123    HB2  SER  21           HB2      SER  21 -12.808   2.131   4.626
  124    HB3  SER  21           HB3      SER  21 -13.249   1.751   2.929
  125    HG   SER  21           HG       SER  21 -14.160   0.206   5.146
  126    H    GLY  22           H        GLY  22 -11.396  -1.204   1.832
  127    HA2  GLY  22           HA2      GLY  22 -12.428  -3.706   3.035
  128    HA3  GLY  22           HA3      GLY  22 -12.354  -3.317   1.284
  129    H    THR  23           H        THR  23  -9.497  -2.238   2.771
  130    HA   THR  23           HA       THR  23  -8.106  -4.710   2.006
  131    HB   THR  23           HB       THR  23  -6.305  -3.489   0.841
  132    HG1  THR  23           HG1      THR  23  -7.579  -1.446   1.964
  133   HG21  THR  23          HG21      THR  23  -7.776  -4.053  -0.875
  134   HG22  THR  23          HG22      THR  23  -7.733  -2.268  -1.043
  135   HG23  THR  23          HG23      THR  23  -9.134  -3.066  -0.245
  136    H    THR  24           H        THR  24  -6.002  -4.931   2.982
  137    HA   THR  24           HA       THR  24  -5.501  -3.211   5.383
  138    HB   THR  24           HB       THR  24  -5.273  -6.229   4.990
  139    HG1  THR  24           HG1      THR  24  -7.291  -5.556   5.470
  140   HG21  THR  24          HG21      THR  24  -4.074  -4.384   7.132
  141   HG22  THR  24          HG22      THR  24  -3.499  -5.980   6.511
  142   HG23  THR  24          HG23      THR  24  -4.856  -5.889   7.685
  143    H    CYS  25           H        CYS  25  -3.314  -2.647   5.954
  144    HA   CYS  25           HA       CYS  25  -1.479  -2.766   3.741
  145    HB2  CYS  25           HB2      CYS  25  -1.693  -0.748   5.381
  146    HB3  CYS  25           HB3      CYS  25  -0.827  -1.749   6.567
  147    H    GLN  26           H        GLN  26   0.068  -4.194   3.310
  148    HA   GLN  26           HA       GLN  26   1.262  -5.705   5.513
  149    HB2  GLN  26           HB2      GLN  26   0.268  -7.110   2.959
  150    HB3  GLN  26           HB3      GLN  26   0.898  -7.862   4.462
  151    HG2  GLN  26           HG2      GLN  26  -1.180  -6.988   5.689
  152    HG3  GLN  26           HG3      GLN  26  -1.800  -6.386   4.116
  153   HE21  GLN  26          HE21      GLN  26  -3.543  -7.747   3.775
  154   HE22  GLN  26          HE22      GLN  26  -3.424  -9.490   3.758
  155    H    VAL  27           H        VAL  27   2.964  -7.279   4.165
  156    HA   VAL  27           HA       VAL  27   4.536  -5.314   2.611
  157    HB   VAL  27           HB       VAL  27   5.317  -7.406   4.647
  158   HG11  VAL  27          HG11      VAL  27   6.908  -7.880   2.911
  159   HG12  VAL  27          HG12      VAL  27   7.739  -6.666   3.949
  160   HG13  VAL  27          HG13      VAL  27   7.002  -6.150   2.394
  161   HG21  VAL  27          HG21      VAL  27   4.757  -5.121   5.476
  162   HG22  VAL  27          HG22      VAL  27   5.821  -4.368   4.234
  163   HG23  VAL  27          HG23      VAL  27   6.539  -5.360   5.556
  164    H    LEU  28           H        LEU  28   4.962  -5.739   0.559
  165    HA   LEU  28           HA       LEU  28   4.733  -8.552  -0.360
  166    HB2  LEU  28           HB2      LEU  28   3.273  -7.345  -1.697
  167    HB3  LEU  28           HB3      LEU  28   4.241  -5.857  -1.601
  168    HG   LEU  28           HG       LEU  28   5.832  -6.656  -3.256
  169   HD11  LEU  28          HD11      LEU  28   6.299  -8.820  -3.654
  170   HD12  LEU  28          HD12      LEU  28   4.635  -9.141  -4.256
  171   HD13  LEU  28          HD13      LEU  28   5.006  -9.326  -2.516
  172   HD21  LEU  28          HD21      LEU  28   3.710  -7.506  -5.019
  173   HD22  LEU  28          HD22      LEU  28   4.357  -5.859  -4.797
  174   HD23  LEU  28          HD23      LEU  28   2.951  -6.424  -3.814
  175    H    ASN  29           H        ASN  29   6.952  -5.743   0.014
  176    HA   ASN  29           HA       ASN  29   9.106  -7.584  -0.145
  177    HB2  ASN  29           HB2      ASN  29  10.159  -6.999  -2.192
  178    HB3  ASN  29           HB3      ASN  29   8.444  -7.116  -2.643
  179   HD21  ASN  29          HD21      ASN  29   8.370  -5.640  -4.398
  180   HD22  ASN  29          HD22      ASN  29   8.771  -3.951  -4.186
  181    HA   PRO  30           HA       PRO  30  10.637  -4.720   2.654
  182    HB2  PRO  30           HB2      PRO  30  13.328  -4.086   1.531
  183    HB3  PRO  30           HB3      PRO  30  12.930  -5.176   2.889
  184    HG2  PRO  30           HG2      PRO  30  13.830  -6.021   0.304
  185    HG3  PRO  30           HG3      PRO  30  13.028  -7.062   1.545
  186    HD2  PRO  30           HD2      PRO  30  11.853  -5.813  -0.948
  187    HD3  PRO  30           HD3      PRO  30  11.371  -7.330  -0.058
  188    H    TYR  31           H        TYR  31  10.607  -3.526  -0.590
  189    HA   TYR  31           HA       TYR  31  10.862  -0.729   0.258
  190    HB2  TYR  31           HB2      TYR  31  11.473  -2.072  -2.470
  191    HB3  TYR  31           HB3      TYR  31  11.550  -0.301  -2.161
  192    HD1  TYR  31           HD2      TYR  31  13.015  -3.586  -0.969
  193    HD2  TYR  31           HD1      TYR  31  13.618   0.631  -1.493
  194    HE1  TYR  31           HE2      TYR  31  15.255  -3.782   0.050
  195    HE2  TYR  31           HE1      TYR  31  15.880   0.419  -0.498
  196    HH   TYR  31           HH       TYR  31  17.040  -2.658   0.854
  197    H    TYR  32           H        TYR  32   8.496  -2.860  -0.010
  198    HA   TYR  32           HA       TYR  32   6.609  -0.998  -1.163
  199    HB2  TYR  32           HB2      TYR  32   7.584  -2.215  -3.194
  200    HB3  TYR  32           HB3      TYR  32   6.994  -3.744  -2.437
  201    HD1  TYR  32           HD2      TYR  32   5.779  -0.371  -3.608
  202    HD2  TYR  32           HD1      TYR  32   4.926  -4.503  -3.022
  203    HE1  TYR  32           HE2      TYR  32   3.543  -0.034  -4.611
  204    HE2  TYR  32           HE1      TYR  32   2.705  -4.203  -4.127
  205    HH   TYR  32           HH       TYR  32   1.668  -1.090  -5.400
  206    H    SER  33           H        SER  33   5.170  -0.910   0.458
  207    HA   SER  33           HA       SER  33   4.205  -3.415   1.648
  208    HB2  SER  33           HB2      SER  33   3.495  -0.618   2.688
  209    HB3  SER  33           HB3      SER  33   3.361  -2.192   3.512
  210    HG   SER  33           HG       SER  33   5.745  -0.790   2.800
  211    H    GLN  34           H        GLN  34   2.330  -4.084   0.858
  212    HA   GLN  34           HA       GLN  34   0.839  -2.296  -0.932
  213    HB2  GLN  34           HB2      GLN  34   1.889  -4.186  -1.989
  214    HB3  GLN  34           HB3      GLN  34   1.211  -5.333  -0.794
  215    HG2  GLN  34           HG2      GLN  34  -1.087  -4.931  -1.634
  216    HG3  GLN  34           HG3      GLN  34  -0.492  -3.605  -2.699
  217   HE21  GLN  34          HE21      GLN  34   0.113  -4.199  -4.786
  218   HE22  GLN  34          HE22      GLN  34   0.241  -5.874  -5.298
  219    H    CYS  35           H        CYS  35  -1.434  -2.301  -0.871
  220    HA   CYS  35           HA       CYS  35  -2.676  -3.025   1.705
  221    HB2  CYS  35           HB2      CYS  35  -3.304  -1.361  -0.753
  222    HB3  CYS  35           HB3      CYS  35  -4.621  -1.661   0.460
  223    H    LEU  36           H        LEU  36  -3.954  -4.908   1.835
  224    HA   LEU  36           HA       LEU  36  -4.952  -6.019  -0.722
  225    HB2  LEU  36           HB2      LEU  36  -4.179  -7.433   1.883
  226    HB3  LEU  36           HB3      LEU  36  -4.787  -8.222   0.396
  227    HG   LEU  36           HG       LEU  36  -2.465  -8.614   0.452
  228   HD11  LEU  36          HD11      LEU  36  -2.794  -6.215  -1.467
  229   HD12  LEU  36          HD12      LEU  36  -3.579  -7.803  -1.732
  230   HD13  LEU  36          HD13      LEU  36  -1.774  -7.681  -1.697
  231   HD21  LEU  36          HD21      LEU  36  -2.080  -6.425   2.004
  232   HD22  LEU  36          HD22      LEU  36  -1.581  -5.714   0.449
  233   HD23  LEU  36          HD23      LEU  36  -0.735  -7.171   1.054
  234    H1   MAN 101           H1       MAN  37  -9.394   2.858  -0.171
  235    H2   MAN 101           H2       MAN  37  -7.444   3.921  -1.076
  236    H3   MAN 101           H3       MAN  37  -8.305   6.246  -0.826
  237    H4   MAN 101           H4       MAN  37 -10.050   5.586  -3.214
  238    H5   MAN 101           H5       MAN  37 -10.795   6.227  -0.300
  239    H61  MAN 101           H61      MAN  37 -12.396   5.107  -2.671
  240    H62  MAN 101           H62      MAN  37 -12.482   6.787  -2.028
  241    HO2  MAN 101           HO2      MAN  37  -7.945   3.658  -3.243
  242    HO3  MAN 101           HO3      MAN  37  -7.402   5.691  -3.484
  243    HO4  MAN 101           HO4      MAN  37  -9.200   7.763  -2.955
  244    HO6  MAN 101           HO6      MAN  37 -12.860   5.106   0.044
  245    H1   MAN 102           H1       MAN  38  -6.793   2.045  -6.837
  246    H2   MAN 102           H2       MAN  38  -7.711   2.448  -4.585
  247    H3   MAN 102           H3       MAN  38  -8.299   0.195  -3.920
  248    H4   MAN 102           H4       MAN  38 -10.418   0.152  -6.049
  249    H5   MAN 102           H5       MAN  38  -7.745  -1.370  -6.013
  250    H61  MAN 102           H61      MAN  38  -9.919  -1.069  -8.143
  251    H62  MAN 102           H62      MAN  38  -9.775  -2.482  -7.033
  252    HO2  MAN 102           HO2      MAN  38  -9.896   2.937  -5.245
  253    HO3  MAN 102           HO3      MAN  38  -9.716   1.046  -2.725
  254    HO4  MAN 102           HO4      MAN  38 -11.005  -1.266  -4.541
  255    HO6  MAN 102           HO6      MAN  38  -8.594  -2.332  -9.312
  256    H1   MAN 103           H1       MAN  39   4.736   9.280  -1.789
  257    H2   MAN 103           H2       MAN  39   7.258   9.004  -1.200
  258    H3   MAN 103           H3       MAN  39   7.890  11.238  -1.844
  259    H4   MAN 103           H4       MAN  39   7.284  10.263  -4.681
  260    H5   MAN 103           H5       MAN  39   6.010  12.479  -2.958
  261    H61  MAN 103           H61      MAN  39   5.253  11.333  -5.704
  262    H62  MAN 103           H62      MAN  39   6.088  12.912  -5.447
  263    HO2  MAN 103           HO2      MAN  39   7.687   8.027  -3.303
  264    HO3  MAN 103           HO3      MAN  39   9.484   9.565  -1.896
  265    HO4  MAN 103           HO4      MAN  39   9.153  11.679  -4.195
  266    HO6  MAN 103           HO6      MAN  39   3.631  12.869  -5.633
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -7.604   7.344   1.667
    2    H2   THR   1           H2       THR   1  -8.807   6.480   0.827
    3    H3   THR   1           H3       THR   1  -7.493   7.149  -0.036
    4    HA   THR   1           HA       THR   1  -6.410   5.412   1.833
    5    HB   THR   1           HB       THR   1  -7.820   3.257   0.850
    6   HG21  THR   1          HG21      THR   1  -9.182   3.414   2.941
    7   HG22  THR   1          HG22      THR   1  -8.759   5.152   3.131
    8   HG23  THR   1          HG23      THR   1  -7.483   3.902   3.223
    9    H    GLN   2           H        GLN   2  -5.719   3.115   0.428
   10    HA   GLN   2           HA       GLN   2  -5.131   4.056  -2.295
   11    HB2  GLN   2           HB2      GLN   2  -3.283   2.955  -0.366
   12    HB3  GLN   2           HB3      GLN   2  -3.630   1.600  -1.443
   13    HG2  GLN   2           HG2      GLN   2  -1.858   2.733  -2.605
   14    HG3  GLN   2           HG3      GLN   2  -3.316   3.248  -3.483
   15   HE21  GLN   2          HE21      GLN   2  -1.363   4.123  -0.601
   16   HE22  GLN   2          HE22      GLN   2  -1.640   5.844  -0.714
   17    H    SER   3           H        SER   3  -5.449   2.435  -3.948
   18    HA   SER   3           HA       SER   3  -7.751   0.900  -3.519
   19    HB2  SER   3           HB2      SER   3  -6.033   0.182  -5.894
   20    HB3  SER   3           HB3      SER   3  -7.771   0.722  -5.849
   21    H    HIS   4           H        HIS   4  -7.929  -1.482  -4.157
   22    HA   HIS   4           HA       HIS   4  -6.209  -3.085  -2.581
   23    HB2  HIS   4           HB2      HIS   4  -8.585  -3.663  -3.509
   24    HB3  HIS   4           HB3      HIS   4  -7.766  -4.113  -5.041
   25    HD1  HIS   4           HD1      HIS   4  -9.310  -6.233  -3.511
   26    HD2  HIS   4           HD2      HIS   4  -5.288  -5.487  -2.578
   27    HE1  HIS   4           HE1      HIS   4  -8.413  -8.302  -2.377
   28    HE2  HIS   4           HE2      HIS   4  -6.103  -7.695  -1.648
   29    H    TYR   5           H        TYR   5  -4.265  -3.880  -2.918
   30    HA   TYR   5           HA       TYR   5  -2.458  -4.582  -3.806
   31    HB2  TYR   5           HB2      TYR   5  -3.547  -4.403  -6.652
   32    HB3  TYR   5           HB3      TYR   5  -2.097  -5.306  -6.100
   33    HD1  TYR   5           HD1      TYR   5  -2.401  -7.236  -4.425
   34    HD2  TYR   5           HD2      TYR   5  -5.673  -5.375  -6.495
   35    HE1  TYR   5           HE1      TYR   5  -3.832  -9.196  -3.930
   36    HE2  TYR   5           HE2      TYR   5  -7.112  -7.326  -5.980
   37    HH   TYR   5           HH       TYR   5  -6.570  -9.962  -5.422
   38    H    GLY   6           H        GLY   6  -3.499  -1.578  -3.857
   39    HA2  GLY   6           HA2      GLY   6  -1.322  -0.350  -5.366
   40    HA3  GLY   6           HA3      GLY   6  -2.563   0.442  -4.322
   41    H    GLN   7           H        GLN   7  -0.357   1.616  -3.720
   42    HA   GLN   7           HA       GLN   7   1.193  -0.037  -1.857
   43    HB2  GLN   7           HB2      GLN   7   2.208   1.320  -3.733
   44    HB3  GLN   7           HB3      GLN   7   1.697   2.807  -2.922
   45    HG2  GLN   7           HG2      GLN   7   3.219   2.494  -1.082
   46    HG3  GLN   7           HG3      GLN   7   3.198   0.721  -1.282
   47   HE21  GLN   7          HE21      GLN   7   5.455   1.039  -0.947
   48   HE22  GLN   7          HE22      GLN   7   6.456   1.117  -2.405
   49    H    CYS   8           H        CYS   8   0.884   0.186   0.411
   50    HA   CYS   8           HA       CYS   8  -0.440   2.719   1.308
   51    HB2  CYS   8           HB2      CYS   8  -1.685   1.430   2.541
   52    HB3  CYS   8           HB3      CYS   8  -0.734  -0.044   2.134
   53    H    GLY   9           H        GLY   9   2.563   1.091   1.126
   54    HA2  GLY   9           HA2      GLY   9   3.909   3.156   2.658
   55    HA3  GLY   9           HA3      GLY   9   3.825   1.510   3.416
   56    H    GLY  10           H        GLY  10   6.329   2.732   2.545
   57    HA2  GLY  10           HA2      GLY  10   7.336   0.570   1.033
   58    HA3  GLY  10           HA3      GLY  10   7.116   2.076   0.021
   59    H    ILE  11           H        ILE  11   9.701   1.227   0.476
   60    HA   ILE  11           HA       ILE  11  10.849   2.546   2.685
   61    HB   ILE  11           HB       ILE  11  11.749   1.395   0.088
   62   HG12  ILE  11          HG12      ILE  11  11.446   0.335   2.554
   63   HG13  ILE  11          HG13      ILE  11  12.726  -0.204   1.450
   64   HG21  ILE  11          HG21      ILE  11  14.143   2.158   0.526
   65   HG22  ILE  11          HG22      ILE  11  13.501   3.357   1.705
   66   HG23  ILE  11          HG23      ILE  11  13.050   3.466  -0.033
   67   HD11  ILE  11          HD11      ILE  11  13.527   0.184   3.824
   68   HD12  ILE  11          HD12      ILE  11  13.207   1.947   3.608
   69   HD13  ILE  11          HD13      ILE  11  14.441   1.110   2.589
   70    H    GLY  12           H        GLY  12   9.781   3.781  -0.405
   71    HA2  GLY  12           HA2      GLY  12  10.330   6.529   0.540
   72    HA3  GLY  12           HA3      GLY  12  10.721   6.001  -1.142
   73    H    TYR  13           H        TYR  13   7.895   5.236   0.938
   74    HA   TYR  13           HA       TYR  13   6.240   6.342  -1.252
   75    HB2  TYR  13           HB2      TYR  13   5.912   3.848  -0.677
   76    HB3  TYR  13           HB3      TYR  13   5.334   4.400   0.950
   77    HD1  TYR  13           HD1      TYR  13   4.920   5.278  -2.683
   78    HD2  TYR  13           HD2      TYR  13   2.966   4.638   1.106
   79    HE1  TYR  13           HE1      TYR  13   2.722   5.618  -3.756
   80    HE2  TYR  13           HE2      TYR  13   0.778   4.878   0.011
   81    HH   TYR  13           HH       TYR  13  -0.235   4.861  -2.159
   82    H    SER  14           H        SER  14   4.636   7.817  -0.844
   83    HA   SER  14           HA       SER  14   4.320   8.743   1.958
   84    HB2  SER  14           HB2      SER  14   4.612  10.640  -0.441
   85    HB3  SER  14           HB3      SER  14   4.679  11.051   1.343
   86    H    GLY  15           H        GLY  15   2.616   7.300  -0.251
   87    HA2  GLY  15           HA2      GLY  15   0.422   9.231  -0.540
   88    HA3  GLY  15           HA3      GLY  15   0.532   7.564  -1.194
   89    HA   PRO  16           HA       PRO  16  -2.387   7.758   2.464
   90    HB2  PRO  16           HB2      PRO  16  -3.632   5.726   0.544
   91    HB3  PRO  16           HB3      PRO  16  -4.488   6.895   1.623
   92    HG2  PRO  16           HG2      PRO  16  -4.067   7.294  -1.131
   93    HG3  PRO  16           HG3      PRO  16  -4.166   8.675   0.032
   94    HD2  PRO  16           HD2      PRO  16  -1.788   7.553  -1.405
   95    HD3  PRO  16           HD3      PRO  16  -1.992   9.166  -0.615
   96    H    THR  17           H        THR  17  -2.136   6.573   4.274
   97    HA   THR  17           HA       THR  17  -0.904   3.895   4.035
   98    HB   THR  17           HB       THR  17   0.623   5.528   4.910
   99    HG1  THR  17           HG1      THR  17  -0.533   3.874   6.895
  100   HG21  THR  17          HG21      THR  17  -1.839   6.385   6.550
  101   HG22  THR  17          HG22      THR  17  -0.595   7.380   5.689
  102   HG23  THR  17          HG23      THR  17  -0.206   6.599   7.255
  103    H    VAL  18           H        VAL  18  -3.853   4.657   4.159
  104    HA   VAL  18           HA       VAL  18  -4.574   3.281   6.709
  105    HB   VAL  18           HB       VAL  18  -6.040   5.117   4.798
  106   HG11  VAL  18          HG11      VAL  18  -7.715   3.265   5.262
  107   HG12  VAL  18          HG12      VAL  18  -8.139   4.737   6.184
  108   HG13  VAL  18          HG13      VAL  18  -7.333   3.348   6.995
  109   HG21  VAL  18          HG21      VAL  18  -4.553   5.699   7.004
  110   HG22  VAL  18          HG22      VAL  18  -6.020   5.138   7.861
  111   HG23  VAL  18          HG23      VAL  18  -6.134   6.536   6.738
  112    H    CYS  19           H        CYS  19  -4.182   2.682   3.351
  113    HA   CYS  19           HA       CYS  19  -5.102   1.283   1.875
  114    HB2  CYS  19           HB2      CYS  19  -4.976  -0.458   4.363
  115    HB3  CYS  19           HB3      CYS  19  -5.670  -1.149   2.909
  116    H    ALA  20           H        ALA  20  -7.021   0.515   0.774
  117    HA   ALA  20           HA       ALA  20  -9.358   1.820   1.450
  118    HB1  ALA  20           HB1      ALA  20  -9.160  -0.929   0.054
  119    HB2  ALA  20           HB2      ALA  20  -8.847   0.604  -0.812
  120    HB3  ALA  20           HB3      ALA  20 -10.482   0.259  -0.153
  121    H    SER  21           H        SER  21 -11.324   1.401   2.555
  122    HA   SER  21           HA       SER  21 -10.977  -0.020   4.869
  123    HB2  SER  21           HB2      SER  21 -13.674   0.597   3.526
  124    HB3  SER  21           HB3      SER  21 -13.324   0.454   5.298
  125    HG   SER  21           HG       SER  21 -13.331   2.611   4.810
  126    H    GLY  22           H        GLY  22 -11.393  -1.381   1.900
  127    HA2  GLY  22           HA2      GLY  22 -12.493  -3.951   2.884
  128    HA3  GLY  22           HA3      GLY  22 -12.344  -3.419   1.169
  129    H    THR  23           H        THR  23  -9.544  -2.426   2.568
  130    HA   THR  23           HA       THR  23  -8.124  -4.900   1.920
  131    HB   THR  23           HB       THR  23  -6.298  -3.598   0.883
  132    HG1  THR  23           HG1      THR  23  -7.499  -1.626   2.065
  133   HG21  THR  23          HG21      THR  23  -7.548  -2.460  -1.099
  134   HG22  THR  23          HG22      THR  23  -9.046  -3.149  -0.387
  135   HG23  THR  23          HG23      THR  23  -7.704  -4.248  -0.886
  136    H    THR  24           H        THR  24  -5.873  -4.829   2.885
  137    HA   THR  24           HA       THR  24  -5.623  -3.070   5.285
  138    HB   THR  24           HB       THR  24  -5.448  -6.088   4.961
  139    HG1  THR  24           HG1      THR  24  -7.349  -4.944   5.643
  140   HG21  THR  24          HG21      THR  24  -3.373  -5.568   6.235
  141   HG22  THR  24          HG22      THR  24  -4.625  -6.145   7.377
  142   HG23  THR  24          HG23      THR  24  -4.264  -4.387   7.274
  143    H    CYS  25           H        CYS  25  -3.557  -2.457   5.982
  144    HA   CYS  25           HA       CYS  25  -1.514  -2.362   3.971
  145    HB2  CYS  25           HB2      CYS  25  -1.600  -1.620   6.945
  146    HB3  CYS  25           HB3      CYS  25  -0.109  -1.431   5.984
  147    H    GLN  26           H        GLN  26  -0.208  -4.037   3.414
  148    HA   GLN  26           HA       GLN  26   1.130  -5.439   5.618
  149    HB2  GLN  26           HB2      GLN  26   0.009  -7.048   3.264
  150    HB3  GLN  26           HB3      GLN  26   0.768  -7.670   4.752
  151    HG2  GLN  26           HG2      GLN  26  -1.202  -6.807   6.107
  152    HG3  GLN  26           HG3      GLN  26  -2.015  -6.307   4.585
  153   HE21  GLN  26          HE21      GLN  26  -2.077  -8.204   2.880
  154   HE22  GLN  26          HE22      GLN  26  -2.611  -9.728   3.557
  155    H    VAL  27           H        VAL  27   2.763  -7.103   4.301
  156    HA   VAL  27           HA       VAL  27   4.286  -5.227   2.602
  157    HB   VAL  27           HB       VAL  27   5.069  -7.266   4.682
  158   HG11  VAL  27          HG11      VAL  27   6.610  -7.826   2.885
  159   HG12  VAL  27          HG12      VAL  27   7.502  -6.651   3.918
  160   HG13  VAL  27          HG13      VAL  27   6.757  -6.097   2.383
  161   HG21  VAL  27          HG21      VAL  27   5.824  -5.383   5.855
  162   HG22  VAL  27          HG22      VAL  27   4.574  -4.538   4.875
  163   HG23  VAL  27          HG23      VAL  27   6.291  -4.493   4.360
  164    H    LEU  28           H        LEU  28   4.740  -5.745   0.566
  165    HA   LEU  28           HA       LEU  28   4.434  -8.580  -0.255
  166    HB2  LEU  28           HB2      LEU  28   2.998  -7.414  -1.647
  167    HB3  LEU  28           HB3      LEU  28   3.966  -5.925  -1.582
  168    HG   LEU  28           HG       LEU  28   5.589  -6.803  -3.195
  169   HD11  LEU  28          HD11      LEU  28   4.280  -9.275  -4.122
  170   HD12  LEU  28          HD12      LEU  28   4.704  -9.422  -2.391
  171   HD13  LEU  28          HD13      LEU  28   5.973  -8.986  -3.584
  172   HD21  LEU  28          HD21      LEU  28   3.596  -7.581  -5.043
  173   HD22  LEU  28          HD22      LEU  28   4.096  -5.914  -4.683
  174   HD23  LEU  28          HD23      LEU  28   2.676  -6.637  -3.830
  175    H    ASN  29           H        ASN  29   6.714  -5.807   0.030
  176    HA   ASN  29           HA       ASN  29   8.826  -7.707  -0.071
  177    HB2  ASN  29           HB2      ASN  29   9.915  -7.131  -2.125
  178    HB3  ASN  29           HB3      ASN  29   8.200  -7.287  -2.573
  179   HD21  ASN  29          HD21      ASN  29   8.266  -5.866  -4.421
  180   HD22  ASN  29          HD22      ASN  29   8.556  -4.156  -4.196
  181    HA   PRO  30           HA       PRO  30  10.340  -4.740   2.669
  182    HB2  PRO  30           HB2      PRO  30  13.154  -4.420   1.948
  183    HB3  PRO  30           HB3      PRO  30  12.454  -5.652   3.041
  184    HG2  PRO  30           HG2      PRO  30  13.542  -6.060   0.334
  185    HG3  PRO  30           HG3      PRO  30  12.911  -7.287   1.497
  186    HD2  PRO  30           HD2      PRO  30  11.588  -6.087  -0.885
  187    HD3  PRO  30           HD3      PRO  30  11.085  -7.532   0.107
  188    H    TYR  31           H        TYR  31  10.067  -3.658  -0.457
  189    HA   TYR  31           HA       TYR  31  10.684  -0.869   0.223
  190    HB2  TYR  31           HB2      TYR  31  11.345  -2.417  -2.379
  191    HB3  TYR  31           HB3      TYR  31  11.451  -0.624  -2.226
  192    HD1  TYR  31           HD2      TYR  31  12.850  -3.853  -0.886
  193    HD2  TYR  31           HD1      TYR  31  13.369   0.391  -1.253
  194    HE1  TYR  31           HE2      TYR  31  15.023  -4.014   0.299
  195    HE2  TYR  31           HE1      TYR  31  15.556   0.217  -0.102
  196    HH   TYR  31           HH       TYR  31  16.422  -2.463   1.731
  197    H    TYR  32           H        TYR  32   8.231  -2.858  -0.002
  198    HA   TYR  32           HA       TYR  32   6.422  -1.012  -1.276
  199    HB2  TYR  32           HB2      TYR  32   7.408  -2.260  -3.285
  200    HB3  TYR  32           HB3      TYR  32   6.842  -3.782  -2.499
  201    HD1  TYR  32           HD2      TYR  32   5.592  -0.490  -3.833
  202    HD2  TYR  32           HD1      TYR  32   4.756  -4.575  -2.940
  203    HE1  TYR  32           HE2      TYR  32   3.311  -0.212  -4.759
  204    HE2  TYR  32           HE1      TYR  32   2.499  -4.339  -3.968
  205    HH   TYR  32           HH       TYR  32   1.283  -1.222  -5.089
  206    H    SER  33           H        SER  33   4.947  -0.912   0.299
  207    HA   SER  33           HA       SER  33   3.990  -3.409   1.544
  208    HB2  SER  33           HB2      SER  33   3.304  -0.590   2.552
  209    HB3  SER  33           HB3      SER  33   3.209  -2.143   3.418
  210    HG   SER  33           HG       SER  33   5.583  -0.802   2.550
  211    H    GLN  34           H        GLN  34   1.953  -3.988   0.899
  212    HA   GLN  34           HA       GLN  34   0.614  -2.085  -0.895
  213    HB2  GLN  34           HB2      GLN  34   0.990  -3.445  -2.516
  214    HB3  GLN  34           HB3      GLN  34   1.691  -4.695  -1.431
  215    HG2  GLN  34           HG2      GLN  34  -0.578  -5.634  -1.049
  216    HG3  GLN  34           HG3      GLN  34  -1.309  -4.413  -2.147
  217   HE21  GLN  34          HE21      GLN  34  -0.048  -4.381  -4.467
  218   HE22  GLN  34          HE22      GLN  34   0.146  -5.999  -5.090
  219    H    CYS  35           H        CYS  35  -1.670  -2.369  -1.175
  220    HA   CYS  35           HA       CYS  35  -3.000  -2.910   1.396
  221    HB2  CYS  35           HB2      CYS  35  -3.823  -1.505  -1.213
  222    HB3  CYS  35           HB3      CYS  35  -4.971  -1.740   0.139
  223    H    LEU  36           H        LEU  36  -3.929  -4.805   1.798
  224    HA   LEU  36           HA       LEU  36  -4.836  -6.392  -0.507
  225    HB2  LEU  36           HB2      LEU  36  -3.936  -7.230   2.303
  226    HB3  LEU  36           HB3      LEU  36  -4.510  -8.346   1.026
  227    HG   LEU  36           HG       LEU  36  -2.174  -8.557   0.938
  228   HD11  LEU  36          HD11      LEU  36  -2.721  -6.426  -1.218
  229   HD12  LEU  36          HD12      LEU  36  -3.365  -8.102  -1.298
  230   HD13  LEU  36          HD13      LEU  36  -1.585  -7.819  -1.289
  231   HD21  LEU  36          HD21      LEU  36  -0.520  -6.798   1.113
  232   HD22  LEU  36          HD22      LEU  36  -1.793  -6.356   2.334
  233   HD23  LEU  36          HD23      LEU  36  -1.726  -5.529   0.778
  234    H1   MAN 101           H1       MAN  37  -9.818   2.655  -0.210
  235    H2   MAN 101           H2       MAN  37  -7.938   3.570  -1.478
  236    H3   MAN 101           H3       MAN  37  -8.628   5.892  -1.467
  237    H4   MAN 101           H4       MAN  37 -10.786   5.042  -3.425
  238    H5   MAN 101           H5       MAN  37 -11.116   5.997  -0.513
  239    H61  MAN 101           H61      MAN  37 -13.082   4.667  -2.454
  240    H62  MAN 101           H62      MAN  37 -12.995   6.446  -2.165
  241    HO2  MAN 101           HO2      MAN  37  -8.898   3.233  -3.609
  242    HO3  MAN 101           HO3      MAN  37  -8.257   6.253  -3.768
  243    HO4  MAN 101           HO4      MAN  37 -10.976   7.511  -2.193
  244    HO6  MAN 101           HO6      MAN  37 -14.522   5.036  -0.796
  245    H1   MAN 102           H1       MAN  38  -7.111   2.251  -7.774
  246    H2   MAN 102           H2       MAN  38  -5.277   0.548  -7.737
  247    H3   MAN 102           H3       MAN  38  -3.978   1.664  -5.956
  248    H4   MAN 102           H4       MAN  38  -3.215   3.662  -8.149
  249    H5   MAN 102           H5       MAN  38  -4.798   4.096  -5.562
  250    H61  MAN 102           H61      MAN  38  -4.340   5.898  -8.003
  251    H62  MAN 102           H62      MAN  38  -3.523   6.068  -6.406
  252    HO2  MAN 102           HO2      MAN  38  -4.514   1.080  -9.661
  253    HO3  MAN 102           HO3      MAN  38  -2.411   1.340  -8.318
  254    HO4  MAN 102           HO4      MAN  38  -1.575   3.157  -6.605
  255    HO6  MAN 102           HO6      MAN  38  -6.357   6.068  -6.799
  256    H1   MAN 103           H1       MAN  39   6.917  11.772   1.585
  257    H2   MAN 103           H2       MAN  39   5.672  12.497  -0.480
  258    H3   MAN 103           H3       MAN  39   6.450  10.617  -1.889
  259    H4   MAN 103           H4       MAN  39   9.129  12.089  -1.843
  260    H5   MAN 103           H5       MAN  39   8.312   9.340  -0.738
  261    H61  MAN 103           H61      MAN  39  10.943  10.906  -0.552
  262    H62  MAN 103           H62      MAN  39  10.652   9.484  -1.621
  263    HO2  MAN 103           HO2      MAN  39   7.957  13.514   0.408
  264    HO3  MAN 103           HO3      MAN  39   6.995  13.243  -2.799
  265    HO4  MAN 103           HO4      MAN  39   8.115   9.992  -3.435
  266    HO6  MAN 103           HO6      MAN  39  11.651   9.078   0.569