*HEADER   NEUROTOXIN                              26-NOV-96   2PTA    
*TITLE    PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR,       
*TITLE   2 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PANDINUS TOXIN K-ALPHA;                          
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: COMPLETE PEPTIDE;                                
*COMPND  5 SYNONYM: PITX-KA, A-KTX5.1;                                
*COMPND  6 ENGINEERED: SYNTHETIC GENE;                                
*COMPND  7 BIOLOGICAL_UNIT: MONOMER                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: PANDINUS IMPERATOR;                   
*SOURCE  3 ORGANISM_COMMON: EMPEROR SCORPION;                         
*SOURCE  4 SECRETION: VENOM;                                          
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PSR9                            
*KEYWDS   NEUROTOXIN, POTASSIUM CHANNEL BLOCKERS, NMR SOLUTION        
*KEYWDS  2 STRUCTURE, ALPHA-K TOXIN FAMILY, SCORPION TOXIN            
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   T.C.TENENHOLZ,R.S.ROGOWSKI,J.H.COLLINS,M.P.BLAUSTEIN,       
*AUTHOR  2 D.J.WEBER                                                  
*REVDAT  1   10-DEC-97 2PTA    0                                      
 
                        !!    Legend  !!
!!   %  =  comment about unusual strength assignment, correction, etc.
!!   &  =  consider changing this to very weak


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!                                   Secondary Structure NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Thr1
	! Medium Range NOE's
!Ile2 hn10 (8.50 ppm)
	! Sequential NOE's
		assign (resid 2 and name hn) (resid 1 and name hb)  1.8 0 1.5 {m,3.95,7/4,7/3g,0/0d,8/2r,0,7_12}
		assign (resid 2 and name hn) (resid 1 and name ha)  1.8 0 1.5 {m,OL with hn-ha28, 9_18}
	! Medium Range NOE's
!Ser3 hn12 (8.28 ppm)
	! Sequential NOE's
		assign (resid 3 and name hn) (resid 2 and name ha) 1.8 0 1.0 {s,4.32,12/12,0}
		assign (resid 3 and name hn) (resid 2 and name hb) 1.8 0 1.5 {m,1.65,7/6,8/6g,6/5r,0}
	! Medium Range NOE's 
!Cys4 hn19 (7.89 ppm)
	! Sequential NOE's
		assign (resid 4 and name hn) (resid 3 and name ha) 1.8 0 3.2 {s,7.88x4.99,14/0g,10/11,0/0d,9/12r,0,7_12}
		assign (resid 4 and name hn) (resid 3 and name hb*) 1.8 0 2.5 {m,7.88x3.88&3.82,6/5,7/0g,0/0d,5/4r,1,7_12}
	! Medium Range NOE's
!Thr5 hn3 (9.33 ppm)
	! Sequential NOE's
		assign (resid 5 and name hn) (resid 4 and name ha) 1.8 0 1.5 {s,9.33x4.86,9/10,13/1g,0/0d,8/10r,0,7_12}
		assign (resid 5 and name hn) (resid 4 and name hb*) 1.8 0 4.2 {w,9.33x4.86,6/6,8/7&4/4g,0/0d,3/0&0/0r,1,7_12}
	! Medium Range NOE's
!Asn6 hn18 (7.92 ppm)
	! Sequential NOE's
		assign (resid 6 and name hn) (resid 5 and name hn) 1.8 0 1.0 {s,,11/12,0}
		assign (resid 6 and name hn) (resid 5 and name ha) 1.8 0 4.2 {vw,,4/5,0}
		assign (resid 6 and name hn) (resid 5 and name hb) 1.8 0 4.2 {vw,1.17,3/3,0} 
	!Medium Range NOE's
		assign (resid 6 and name hn) (resid 4 and name hb*) 1.8 0 2.0 {s,7.93x3.25,10/7g,6/6r,0} 
!Pro7 
	! Sequential NOE's
		assign (resid 7 and name hd2) (resid 6 and name ha) 1.8 0 1.5 {m,3.93x5.04,0/5g,10/9r,0,3_23}
		assign (resid 7 and name hd1) (resid 6 and name ha) 1.8 0 1.0 {s,3.80x5.04,0/8g,12/11r,0,3_23}
		assign (resid 7 and name hd2) (resid 6 and name hb*) 1.8 0 1.5 {m,3.93x2.91,10/0g,6/6r,2,0,1_13}
		assign (resid 7 and name hd1) (resid 6 and name hb*) 1.8 0 3.2 {w,3.80x2.74,5/0g,4/4r,0,1_13,}
	! Medium Range NOE's
               assign (resid 7 and name ha) (resid 10 and name hn) 1.8 0 1.5 {m,5/6,4/4g,6/8r,2/10d,0,inc to med 7_07}
!Lys8 hn16 (7.98 ppm)
	! Sequential NOE's
		assign (resid 8 and name hn) (resid 7 and name hd2) 1.8 0 1.5  {m,8.0x3.93,8/0g,4/0r,0,3_23}
		assign (resid 8 and name hn) (resid 7 and name hb2) 1.8 0 1.5 {m,8.0x2.18,8/6g,4/4r,0,3_23}
		assign (resid 8 and name hn) (resid 7 and name hg2) 1.8 0 3.2 {w,8.0x2.01,5/ug,3/ur,0,3_23}
	! Medium Range NOE's
		assign (resid 8 and name ha) (resid 11 and name hd*) 1.8 0 3.3 {s,2.8,7/6,7/6r,2.3}
		assign (resid 8 and name ha) (resid 11 and name hn) 1.8 0 3.2 {w,2.80x7.27,5/1g,4/2r,0/0d,0,7_17}
			! Could be overlapped with a LR, d11 to b25.
		assign (resid 8 and name ha) (resid 12 and name hd1) 1.8 0 4.2 {vw,0,OL ha7-hb25,9_18}
!Gln9 hn29 (7.31 ppm)
	! Sequential NOE's
		assign (resid 9 and name hn) (resid 8 and name hn) 1.8 0 1.0 {s,,9/9,0}
		assign (resid 9 and name hn) (resid 8 and name hb*) 1.8 0 5.2 {vw,,3/0,1}
	! Medium Range NOE's
!Cys10 hn22 (7.79 ppm)
	! Sequential NOE's
		assign (resid 10 and name hn) (resid 9 and name hn) 1.8 0 1.0 {s,,unresolved/9,0}
		assign (resid 10 and name hn) (resid 9 and name ha) 1.8 0 4.2 {vw,,4/4,2/0r,0}
	! Medium Range NOE's
		assign (resid 10 and name ha) (resid 13 and name hb*) 1.8 0 3.2 {w,4.59x3.40,0/4g,0,3_28}
		assign (resid 10 and name ha) (resid 14 and name hn) 1.8 0 4.2 {vw,OL ha-hn14,9_18}
!Tyr11 hn30 (7.29 ppm)
	! Sequential NOE's
                assign (resid 11 and name hn) (resid 10 and name ha) 1.8 0 3.2  {w,,6/0g,0,12_20}
                assign (resid 11 and name hn) (resid 10 and name hn) 1.8 0 1.0  {s,,11/11,0}
		assign (resid 11 and name hn) (resid 10 and name hb*) 1.8 0 4.2 {w,3.04x7.27,6/5,7/6g,2/0r,1,inc to w 7_07}
		assign (resid 11 and name hd*) (resid 10 and name hb*) 1.8 0 7.5 {vw,7.19x3.03,4/4,0/0r,2.3+1}
	! Medium Range NOE's
		assign (resid 11 and name ha) (resid 14 and name hb*) 1.8 0 3.2 {w,5.09x3.48&2.94,7/5,3/0r,0}
		assign (resid 11 and name ha) (resid 14 and name hn) 1.8 0 3.2 {w,3.04,4/4,0}
		assign (resid 11 and name hn) (resid 13 and name hn) 1.8 0 3.2 {w,OL hn11-hn10}
!Pro12 p2
	! Sequential NOE's
		assign (resid 12 and name hd2) (resid 11 and name hb2) 1.8 0 1.5 {m,3.77x3.38,6/7g,4/2r,0,3_27}
		assign (resid 12 and name hd2) (resid 11 and name hn) 1.8 0 1.0 {s,3.77x3.27,10/3g,6/5r,0,3_27}

		assign (resid 12 and name hd1) (resid 11 and name hb1) 1.8 0 1.5 {m,3.88x3.21,4/10g,2/6r,0,3_27}
		assign (resid 12 and name hd1) (resid 11 and name hb2) 1.8 0 1.0 {s,3.88x3.38,7/11g,7/8r,0,3_27}
		assign (resid 12 and name hd1) (resid 11 and name hd*) 1.8 0 3.8 {m,3.88x7.19,6/0g,0/0r,2.3,3_27}
		assign (resid 12 and name hd1) (resid 11 and name hn) 1.8 0 1.0 {s,3.88x7.27,11/0g,6/4r,0,3_27}
	! Medium Range NOE's
		assign (resid 12 and name ha) (resid 15 and name hn) 1.8 0 3.2 {w,,5/5,0,med in ROESY 8_22}
		assign (resid 12 and name ha) (resid 15 and name hb1) 1.8 0 3.2 {w,4.30x1.86,3/5,5/4n,0,3_27}
!His13 hn21 (7.82 ppm) 
	! Sequential NOE's
		assign (resid 13 and name hn) (resid 12 and name ha) 1.8 0 4.2 {vw,4.30,6/6,0/0r,0,3_27} 
		assign (resid 13 and name hn) (resid 12 and name hb2) 1.8 0 1.0  {s,7.83x1.87,8/6,7/4r,0,3_27}

		assign (resid 13 and name hn) (resid 12 and name hd2) 1.8 0 3.2 {w,7.83x3.76,8&6/6&6,4/3r,0,3_27}
		assign (resid 13 and name hn) (resid 12 and name hg2) 2.8 0 3.2 {repulsive term, 9_19}
	! Medium Range NOE's
		assign (resid 13 and name ha) (resid 16 and name hb*) 1.8 0 5.2 {vw,4.39x1.96,unresolved/5,1}
		assign (resid 13 and name hn) (resid 10 and name ha) 1.8 0 4.2 {vw,,3/0g,0,12_20}
		assign (resid 13 and name hd2) (resid 10 and name ha) 1.8 0 3.2 {w,7.05x4.59,8/0g,0,3_28}
		assign (resid 13 and name hd2) (resid 14 and name ha) 1.8 0 3.2 {w,7.05x4.59,8/0g,0,3_28}
!Cys14 hn8 (8.73 ppm)
	! Sequential NOE's
		assign (resid 14 and name hn) (resid 13 and name hb*) 1.8 0 1.5 {m,8.76x3.28,8/7,5/6r,0,3_28}
		assign (resid 14 and name hn) (resid 13 and name hn) 1.8 0 1.0 {s,,9/9,0}
		assign (resid 14 and name hn) (resid 13 and name hd2) 1.8 0 3.2 {w,7.04x8.76,0/4g,0,5_27}

	! Medium Range NOE's
		assign (resid 14 and name ha) (resid 18 and name hg2*) 1.8 0 4.2 {w,4.57x1.25,0/4g,0/7d,1,1_11,7_03}
!Lys15 hn6 (8.84 ppm)
	! Sequential NOE's
		assign (resid 15 and name hn) (resid 14 and name hn) 1.8 0 1.0 {s,,10/9,0}
		assign (resid 15 and name hn) (resid 14 and name hb*) 1.8 0 2.5 {m,,6/6,1}
		assign (resid 15 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,,5/0g,0,1_11}
	! Medium Range NOE's
		assign (resid 15 and name hn) (resid 17 and name hn) 1.8 0 4.2 {vw,just visible,9_18}
!Lys16 hn25 (7.59 ppm)
	! Sequential NOE's
		assign (resid 16 and name hn) (resid 15 and name ha) 1.8 0 4.2 {vw,,5/5,0/0r,0} 
		assign (resid 16 and name hn) (resid 15 and name hn) 1.8 0 1.0 {s,,9/8,0}
		assign (resid 16 and name hn) (resid 15 and name hb1) 1.8 0 1.5 {m,OL hn-hb16,9_18}
		assign (resid 16 and name hn) (resid 15 and name hb2) 1.8 0 3.2 {w,OL hn-hg16,9_18}
	! Medium Range NOE's
		assign (resid 16 and name hn) (resid 18 and name hn) 1.8 0 4.2 {vw,,3/5,0}
		assign (resid 16 and name hn) (resid 13 and name ha) 1.8 0 3.2 {w,,6/0g,0,12_20}
!Glu17 hn15 (7.99 ppm)
	! Sequential NOE's
		assign (resid 17 and name hn) (resid 16 and name hn) 1.8 0 1.0 {s,,9/9,0}
		assign (resid 17 and name hn) (resid 16 and name ha) 1.8 0 3.2 {w,,6/5,0}
		assign (resid 17 and name hn) (resid 16 and name hb*) 1.8 0 2.5 {m,1,OL hn-hb17,9_18}
	! Medium Range NOE's
		assign (resid 17 and name hn) (resid 13 and name ha) 1.8 0 4.2 {vw,,3/0g,0,12_20}
		assign (resid 17 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,4.59,5/0g,0,1_11}
		assign (resid 17 and name hb*) (resid 14 and name ha) 1.8 0 4.2 {w,1.91x4.57,0/ug,0/7d,1,7_03}
!Thr18 hn11 (8.40 ppm)
	! Sequential NOE's
		assign (resid 18 and name hn) (resid 17 and name ha) 1.8 0 4.2 {vw,4.16,4/4,0/0r,0,3_28}
		assign (resid 18 and name hn) (resid 17 and name hn) 1.8 0 1.0 {s,8.01,8/9,0}
		assign (resid 18 and name hn) (resid 17 and name hb*) 1.8 0 5.2 {vw,,5&6/4&5,0/0r,1,3_28}

		assign (resid 18 and name hg2*) (resid 17 and name hb*) 1.8 0 2.5 {m,1.93x1.26,7/3g,1,1_14,3_28}
	! Medium Range NOE's 
		assign (resid 18 and name hn) (resid 20 and name hn) 1.8 0 3.2 {w,,4/5,0} 
		assign (resid 18 and name hn) (resid 14 and name ha) 1.8 0 3.2 {w,,3/0g,0,1_11}                                             
		assign (resid 15 and name ha) (resid 18 and name hn) 1.8 0 3.2 {w,8.41x3.59,8/6g,0/0r,0,1_29,3_28} 
!Gly19 hn20 (7.85 ppm)
	! Sequential NOE's
		assign (resid 19 and name hn) (resid 18 and name ha) 1.8 0 3.2 {w,,5/3g,0,12_20}
		assign (resid 19 and name hn) (resid 18 and name hn) 1.8 0 1.0 {s,,11/11,0}
	! Medium Range NOE's
!Tyr20 hn13 (8.20 ppm)
	! Sequential NOE's 
	assign (resid 20 and name hn) (resid 19 and name ha*) 1.8 0 2.0 {s,,8/7,7/6r,0}
	assign (resid 20 and name hn) (resid 19 and name hn) 1.8 0 3.2 {w,,8/7,0}
	assign (resid 20 and name hd*) (resid 19 and name ha*) 1.8 0 6.5 {w,4.25x6.97,4/0g,3/0d,2.3+1,7_03}
	! Medium Range NOE's
		assign (resid 20 and name hn) (resid 18 and name hg2*) 1.8 0 4.2 {w,1,just visib.,9_18}
!Pro21 p1
	! Sequential NOE's
	assign (resid 21 and name hd*) (resid 20 and name ha) 1.8 0 2.0 {s,4.81x3.45&3.87,10/9,1}
	assign (resid 21 and name hd1) (resid 20 and name hd*) 1.8 0 5.5 {w,6.97x3.46,0/0g,5/0d,2.3,6_28}
	assign (resid 21 and name hd2) (resid 20 and name he*) 1.8 0 5.5 {w,3.89x6.82,4/0g,3/0d,2.3,7_03}
	assign (resid 21 and name hd2) (resid 20 and name hb1) 1.8 0 1.5 {m,8/8,5/6,4/9g,6/8r,2/10d,0,inc to med 7_07}
	assign (resid 21 and name hg*) (resid 20 and name ha) 1.8 0 5.2 {vw,1,just visib.,9_18}
	! Medium Range NOE's
!Asn22 hn32 (7.04 ppm)
	! Sequential NOE's
		assign (resid 22 and name hn) (resid 21 and name hd2) 1.8 0 1.0 {s,7.04x3.87,7/0r,6/6r,0,3_28}
		assign (resid 22 and name hn) (resid 21 and name hg*) 1.8 0 4.2 {w,4.37,8/5,4/0r,1,3_28}
	! Medium Range NOE's
		assign (resid 22 and name hn) (resid 20 and name hb1) 1.8 0 1.5 {m,added on 9_18}
!Ala23 hn17 (7.93 ppm)
	! Sequential NOE's
		assign (resid 23 and name hn) (resid 22 and name ha) 1.8 0 1.0 {s,,11/12,0}
	! Medium Range NOE's:  Note: these are really long range!
		assign (resid 23 and name ha) (resid 32 and name ha) 1.8 0 1.0 {s,,6/8,7/7r,0,3_28}
		assign (resid 23 and name ha) (resid 33 and name hn) 1.8 0 1.5 {m,,7/7,3/5r,0,3_28}
!Lys24 hn9 (8.56 ppm)
	! Sequential NOE's
		assign (resid 24 and name hn) (resid 23 and name ha) 1.8 0 1.0 {s,,10/11,0}
		assign (resid 24 and name hn) (resid 23 and name hb*) 1.8 0 2.5 {m,,9/9,1}
			!This is due to 3 beta protons from Ala23, so reduce intensity 
		assign (resid 24 and name ha) (resid 23 and name hb*) 1.8 0 4.2 {w,1.55x4.55,2/0g,0/5d,1,6_28}
	! Medium Range NOE's
		assign (resid 24 and name hn) (resid 31 and name hn) 1.8 0 1.5 {m,,6/6,0}
!Cys25 hn5a (8.90 ppm)
	! Sequential NOE's
		assign (resid 25 and name hn) (resid 24 and name ha) 1.8 0 1.0 {s,8.90x4.55,6/7,13/0g,5?/2r,0,strong 7_07}
		assign (resid 25 and name hn) (resid 24 and name hb1) 1.8 0 1.5 {m,8.90x1.86,8/7g,6/4r,0,3_28}
		assign (resid 25 and name ha) (resid 24 and name hb2) 1.8 0 3.2 {w,5.03x1.67,0/8g,4/ur,0/11d,0,7_03}
	! Medium Range NOE's
		assign (resid 25 and name ha) (resid 31 and name hn) 1.8 0 3.2 {w,4/3,4/0g,0/0r,0,dec to weak 7_07}
		assign (resid 25 and name ha) (resid 29 and name hn) 1.8 0 3.2 {w,OL ha-hn29,resolved in 1 dim,9_18}
!Met26 hn7 (8.78 ppm)
	! Sequential NOE's
		assign (resid 26 and name hn) (resid 25 and name ha) 1.8 0 1.0 {s,,10/11,0}
		assign (resid 26 and name hg*) (resid 25 and name hb1) 1.8 0 5.2 {vw,2.43x2.12,4/5g,6/7d,1,7_03}
	! Medium Range NOE's (None of these are present in ROE. Consider deleting the second two.
		assign (resid 26 and name hn) (resid 29 and name hn) 1.8 0 1.5 {m,7.67,7/7,0}
!Asn27 hn1 (9.47 ppm)
	! Sequential NOE's
		assign (resid 27 and name hn) (resid 26 and name ha) 1.8 0 1.0 {s,9.47x4.74,5/7,14/2g,1/0r,0}
	! Medium Range NOE's
!Arg28 hn31/hn37 (7.05/8.50 ppm)
	! Sequential NOE's BANG
		assign (resid 28 and name hn) (resid 27 and name ha) 1.8 0 1.0 {s,,6/5,0}
	! Medium Range NOE's
!Lys29 hn24 (7.67 ppm)
	! Sequential NOE's
		assign (resid 29 and name hn) (resid 28 and name ha) 1.8 0 1.5 {m,,6/6,0}
		assign (resid 29 and name hn) (resid 28 and name hn) 1.8 0 1.0 {s,,7/7,0}
	! Medium Range NOE's
!Cys30 hn36 (8.55 ppm)
	! Sequential NOE's
		assign (resid 30 and name hn) (resid 29 and name ha) 1.8 0 1.0 {s,,11/11,0}
		assign (resid 30 and name ha) (resid 31 and name hg*) 4.5 0 30.0 {repulsive term,9_19}
	! Medium Range NOE's
!Lys31 hn4 (9.11 ppm)
	! Sequential NOE's
		assign (resid 31 and name hn) (resid 30 and name ha) 1.8 0 1.0 {s,,9/11,0}
	! Medium Range NOE's
!Cys32 hn5b (8.90 ppm)
	! Sequential NOE's
		assign (resid 32 and name hn) (resid 31 and name ha) 1.8 0 1.0 {s,,15/0g,12_20}
		assign (resid 32 and name hn) (resid 31 and name hg*) 1.8 0 5.2 {vw,8.93x1.21,4/2g,0/0r,1,1_21,3_28}
		assign (resid 32 and name hn) (resid 31 and name hb*) 1.8 0 4.2 {vw,,u/4g,0/0r,0,3_28}
	! Medium Range NOE's
!Phe33 hn14 (8.19 ppm)
	! Sequential NOE's
		assign (resid 33 and name hn) (resid 32 and name ha) 1.8 0 1.0 {s,5.13,10/10,0}
	! Medium Range NOE's
		assign (resid 33 and name hn) (resid 23 and name hb*) 1.8 0 4.2 {w,7.93,3,1}
!Gly34 hn2 (9.46 ppm)
	! Sequential NOE's
		assign (resid 34 and name hn) (resid 33 and name ha) 1.8 0 1.0 {s,,7/0g,0,3_28}
		assign (resid 34 and name hn) (resid 33 and name hn) 1.8 0 1.5 {m,,8/8,0}
		assign (resid 34 and name hn) (resid 35 and name hg*) 1.8 0 4.2 {w,OL hn34-hg18,9_18}
	! Medium Range NOE's
		assign (resid 34 and name hn) (resid 32 and name hb1) 1.8 0 3.2 {w,OL ha-hn34,9_18}
		assign (resid 34 and name hn) (resid 32 and name hb2) 1.8 0 3.2 {w,OL hn-hb27,9_18}
!Arg35 hn33/hn26 (7.01/7.52 ppm)
	! Sequential NOE's
		assign (resid 35 and name hn) (resid 34 and name ha*) 1.8 0 2.0 {s,,8/6,7/8r,1,7_06}
		assign (resid 35 and name hn) (resid 34 and name hn) 1.8 0 1.5 {m,,6/6,0}
	! Medium Range NOE's

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!   Long Range NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Thr1
	assign (resid 1 and name hg2*) (resid 29 and name ha) 1.8 0 4.2 {w,1.30x5.03,0/4d,1,8_20}
!Ile2 hn10 (8.50 ppm)
	assign (resid 2 and name hg2*) (resid 30 and name hb*) 1.8 0 5.2 {w,2.84x0.69,5/4,1+1,12_14}
	assign (resid 2 and name hd1*) (resid 10 and name ha) 1.8 0 5.2 {vw,0.64x4.61,0/1g,1/6d,1,7_03}
	
!Ser3 hn12 (8.28 ppm)
	assign (resid 3 and name ha) (resid 28 and name hb*) 1.8 0 4.2 {w,1,OL ha-hb25,9_18}
!Cys4 hn19 (7.89 ppm)
	assign (resid 4 and name hn) (resid 28 and name ha) 1.8 0 3.2 {w,4.10,5/4,0}
	assign (resid 4 and name hn) (resid 28 and name hb*) 1.8 0 4.2 {w,1,9_18}
	assign (resid 4 and name hb*) (resid 9 and name hb*) 1.8 0 4.2 {vw,2.26x2.84&2.87,5/0g,0/0g,0,1_27,4_01}
!Thr5 hn3 (9.33 ppm)
	assign (resid 5 and name hg2*) (resid 28 and name hd*)  1.8 0 5.2 {w,1.17x3.20,0/2g,5/6d,2,7_03}
!Asn6 hn18 (7.92 ppm)
!Pro7 
	assign (resid 7 and name hb*) (resid 24 and name ha) 1.8 0 2.5 {m,4.55x2.27,6/0g,1,12_27,changed 7_01}

	assign (resid 7 and name hb*) (resid 25 and name hn) 1.8 0 4.2 {w,2.18x8.90,5/0g,3/0r,1,12_27,4_01,changed 7_01}
!Lys8 hn16 (7.98 ppm)
!Gln9 hn29 (7.31 ppm)
!Cys10 hn22 (7.79 ppm)
!Tyr11 hn30 (7.29 ppm)
	assign (resid 11 and name hn) (resid 8 and name ha) 1.8 0 3.2  {w,7.28x2.80,6/1g,4/2r,0,4_01}
	assign (resid 11 and name hd*) (resid 22 and name ha) 1.8 0 6.5  {vw,7.19x4.22,2/0g,4/0r,2.3,4_01}
	assign (resid 11 and name he*) (resid 22 and name ha) 1.8 0 5.5  {w,6.83x4.22,5/4,7/0g,4/8r,2.3,4_01}
		!change to weak, 7_07
	assign (resid 11 and name hd*) (resid 8 and name ha) 1.8 0 3.8  {m,7.20x2.80,7/6,7/7g,8/6r,2.3,4_01}
	assign (resid 11 and name he*) (resid 8 and name ha) 1.8 0 5.5  {w,6.83x2.80,6/5,7/6g,5/5r,2.3,4_01}
	
	assign (resid 11 and name he*) (resid 8 and name hg*) 1.8 0 4.8  {m,6.83x1.318,5/3g,5/0r,2.3+1,4_01,4_07}
	assign (resid 11 and name hd*) (resid 8 and name hb*) 1.8 0 6.5  {w,1.61x7.20,u/0g,8/5d,2.3+1,7_05}

	assign (resid 11 and name he*) (resid 7 and name hg*) 1.8 0 3.3 {s,6.83x2.01,8/4g,7/5r,2.3+1,4_01,4_07}
	assign (resid 11 and name he*) (resid 7 and name hb1) 1.8 0 5.5 {w,6.83x2.277,5/0g,3/2r,2.3+1,4_01,4_07}
!Pro12 p2
!His13 hn21 (7.82 ppm) 
	assign (resid 13 and name hd2) (resid 30 and name hb*) 1.8 0 4.2 {w,7.05x2.84&2.58,5/4g,4/0r,1,12_14,4_01}
	assign (resid 13 and name hd2) (resid 2 and name hg2*) 1.8 0 4.2 {w,7.05x0.69,5/ug,6/ur,1,12_14,4_01}
	assign (resid 13 and name hd2) (resid 2 and name hd1*) 1.8 0 4.2 {w,7.05x0.62,4/ug,5/ur,1,12_14,4_01}

	assign (resid 13 and name hb*) (resid 2 and name hd1*) 1.8 0 2.5 {m,3.40x0.62,5/4g,2/2r,1,12_14,4_01}

	assign (resid 17 and name hb*) (resid 13 and name he1) 1.8 0 4.2 {w,2.08x8.06,0/2g,3/4d,1,7_03}
!Cys14 hn8 (8.73 ppm)
!Lys15 hn6 (8.84 ppm)
!Lys16 hn25 (7.59 ppm)
!Glu17 hn15 (7.99 ppm)
!Thr18 hn11 (8.40 ppm)
!Gly19 hn20 (7.85 ppm)
!Tyr20 hn13 (8.20 ppm)
	assign (resid 20 and name hd*) (resid 34 and name ha*) 1.8 0 4.8 {m,3.69x6.97,6/5 & 3/3,7/2g,0/4r,2.3+1,4_02}
	assign (resid 20 and name hb2) (resid 34 and name ha*) 1.8 0 4.2 {w,2.42x3.97,5/5,0/3g,4/2r,1,4_02}
	assign (resid 20 and name hb1) (resid 14 and name hb*) 1.8 0 4.2 {w,3.04x3.45,u/5g,2/6d,1,6_28}
!Pro21 p1
	assign (resid 21 and name ha) (resid 11 and name ha) 1.8 0 3.2 {w,4.35x5.10,8/5r,0,4_02}
	assign (resid 21 and name ha) (resid 15 and name hb2) 1.8 0 3.2 {w,1.48x4.365,2/6g,7/2r,0,4_02}
	assign (resid 21 and name ha) (resid 15 and name hb1) 1.8 0 3.2 {w,1.88x4.39,0/0g,4/ur,-1/10d,0,7_03}
	assign (resid 21 and name ha) (resid 15 and name ha) 1.8 0 3.2 {w,4.39x3.55,0/3g,0/4d,0,7_03}
	assign (resid 21 and name ha) (resid 14 and name hb*) 1.8 0 1.5 {m,3.48&2.93x4.365,0/7g,7/5r,0/10d,1,4_02}
	assign (resid 21 and name hd1) (resid 15 and name hb2) 1.8 0 3.2 {w,3.44x1.88,0/0g,7/7d,0,7_03}
!Asn22 hn32 (7.04 ppm)
!Ala23 hn17 (7.93 ppm)
	assign (resid 23 and name hb*) (resid 11 and name hd*) 1.8 0 5.5  {m,7.19x1.53,9/9,1+2.3}
	assign (resid 23 and name hb*) (resid 11 and name he*) 1.8 0 6.5  {w,6.83x1.53,7/6,1+2.3}

	assign (resid 23 and name hb*) (resid 11 and name ha) 1.8 0 4.2 {w,5.09,7/7,1,12_15}
	assign (resid 23 and name hb*) (resid 32 and name ha) 1.8 0 4.2 {w,5.09,7/7,1,12_15}

	assign (resid 23 and name hb*) (resid 14 and name hb*) 1.8 0 4.2 {w,2.94x1.53,5/5,5/ug,3/5r,1,12_15,4_02}

	assign (resid 23 and name hb*) (resid 10 and name hb*) 1.8 0 3.5 {m,1.53x3.04,11/11,14/13g,10/10r,14/14d,2,12_15}

	assign (resid 11 and name he*) (resid 23 and name hn) 1.8 0 3.3  {s,6.84x7.93,10/10g,8/9r,2.3}
!Lys24 hn9 (8.56 ppm)
	assign (resid 33 and name he*) (resid 24 and name hn) 1.8 0 3.8 {m,7.22x8.56,0/5g,2/4r,2.3}
	assign (resid 33 and name he*) (resid 24 and name hd*) 1.8 0 4.8 {m,7.23x1.76,5/0g,5/0r,2.3+1}
	assign (resid 33 and name he*) (resid 24 and name hg*) 1.8 0 4.8 {m,7.23x1.46,6/0g,7/4r,2.3+1}
	assign (resid 33 and name he*) (resid 24 and name hb2) 1.8 0 3.8 {s,7.23x1.68,9/3g,8/0r,2.3}
	assign (resid 33 and name he*) (resid 24 and name he*) 1.8 0 6.5 {w,7.23x2.87,2/2g,5/4r,2.3+1}
	assign (resid 26 and name hg*) (resid 24 and name hb2) 1.8 0 4.2 {w,1.67x2.43,5/3g,7/6d,1,6_28}
	assign (resid 32 and name ha) (resid 24 and name hn) 1.8 0 3.2 {w,8.56x5.12,3/0g,0,7_05}
	assign (resid 31 and name hg*) (resid 24 and name hn) 4.5 0 30. {repulsive term,9_19}

!Cys25 hn5a (8.90 ppm)
	assign (resid 25 and name hb2) (resid 7 and name ha) 1.8 0 3.3 {w,2.81x3.89,0/6g,1/7d,0,7_03}
	assign (resid 25 and name ha) (resid 30 and name ha) 1.8 0 1.0 {s,4.99x4.80,s in D2O presat,0,8_13}
!Met26 hn7 (8.78 ppm)
!Asn27 hn1 (9.47 ppm)
!Arg28 hn31/hn37 (7.05/8.50 ppm)
!Lys29 hn24 (7.67 ppm)
!Cys30 hn36 (8.55 ppm)
	assign (resid 30 and name hb*) (resid 23 and name hb*) 1.8 0 5.2 {w,2.58x1.54,2/3g,5/3d,2,6_28,changed from hd29 on 8_19}
	assign (resid 30 and name ha) (resid 26 and name hn) 1.8 0 4.2 {vw,,3/0g,0,12_20}
	assign (resid 30 and name hb*) (resid 10 and name hb*) 1.8 0 5.2 {w,3.05x2.59,10/10g,2,1_13,4_02}
!Lys31 hn4 (9.11 ppm)
	assign (resid 31 and name hn) (resid 23 and name hb*) 1.8 0 5.2 {vw%,1.54,4/4,1}
!Cys32 hn5b (8.90 ppm)
	assign (resid 32 and name hb1) (resid 14 and name hb*) 1.8 0 2.5 {m,3.71x3.48&2.94,8/3g&4/3g,1,1_12,4_02}
	assign (resid 32 and name hb1) (resid 18 and name hg2*) 1.8 0 2.0 {s,3.71x1.26,10/5g,6/7r,1,1_12,inc to strong 8_20}
!Phe33 hn14 (8.19 ppm)
	assign (resid 33 and name hb2) (resid 18 and name hg2*) 1.8 0 4.2 {w,2.71x1.26,9/2g,1,1_14}
	assign (resid 33 and name he*) (resid 24 and name hn) 1.8 0 5.5 {w,7.23x8.56,0/5g,2.3,5_27}
	assign (resid 33 and name hd*) (resid 24 and name hn) 1.8 0 5.5 {w,7.23x8.56,0/4g,2.3,5_27}
	assign (resid 33 and name hn) (resid 18 and name hg2*) 1.8 0 4.2 {w,OL hn20-hg18,9_18}
	assign (resid 33 and name hn) (resid 22 and name hb*) 1.8 0 4.2 {w,OL hb32-hn33,9_18}
!Gly34 hn2 (9.46 ppm)
	assign (resid 34 and name ha*) (resid 18 and name hg2*) 1.8 0 5.2 {w,1.26x3.66,0/0g,7/6d,2,6_28}
	assign (resid 34 and name hn) (resid 18 and name hg2*) 1.8 0 4.2 {w,barely visib.,9_18}
!Arg35 hn33/hn26 (7.01/7.52 ppm)
	assign (resid 35 and name ha) (resid 20 and name hd*) 1.8 0 5.5 {w,6.97x3.19,5/0g,7/7d,2.3,6_28}
	assign (resid 35 and name hn) (resid 20 and name hd*) 1.8 0 5.5 {w,7.52x6.97,,2.3,7_08}
	assign (resid 35 and name hn) (resid 20 and name he*) 1.8 0 6.5 {vw,7.52x6.82,,2.3,7_08}

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!       alpha helix 1
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for alpha helix
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
	assign (resid 7 and name o) (resid 11 and name hn) 1.5 0 0.8
	assign (resid 7 and name o) (resid 11 and name n) 2.4 0 0.9
	assign (resid 9 and name o) (resid 13 and name hn) 1.5 0 0.8
	assign (resid 9 and name o) (resid 13 and name n) 2.4 0 0.9
	assign (resid 10 and name o) (resid 14 and name hn) 1.5 0 0.8
	assign (resid 10 and name o) (resid 14 and name n) 2.4 0 0.9
	assign (resid 11 and name o) (resid 15 and name hn) 1.5 0 0.8
	assign (resid 11 and name o) (resid 15 and name n) 2.4 0 0.9
	assign (resid 14 and name o) (resid 18 and name hn) 1.5 0 0.8
	assign (resid 14 and name o) (resid 18 and name n) 2.4 0 0.9

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bonds for beta sheet
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

        
	assign (resid 31 and name o) (resid 24 and name hn) 1.5 0 0.8
	assign (resid 31 and name o) (resid 24 and name n) 2.4 0 0.9

	assign (resid 24 and name o) (resid 31 and name hn) 1.5 0 0.8
	assign (resid 24 and name o) (resid 31 and name n) 2.4 0 0.9
	
	assign (resid 29 and name o) (resid 26 and name hn) 1.5 0 0.8
	assign (resid 29 and name o) (resid 26 and name n) 2.4 0 0.9
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!    Hydrogen bond for beta turn
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

	assign (resid 26 and name o) (resid 29 and name hn) 1.5 0 0.8
	assign (resid 26 and name o) (resid 29 and name n) 2.4 0 0.9
!
!tocsy data (H2O) - toxtoc4.mat (2D-TOCSY,600MHZ, from GE machine)
!noesy data (H2O) - tox200noef.mat (2D-NOESY)200 ms 
!                    (Collected in April 95 Brucker trip)
!			resolution of 2D NOESY 
!
!Note 1:  number in parentheses are number of contours seen at lvl=0.02 of NOESY-HMQC
!	  for weak peaks and at lvl=0.1 for others
!	  Nilges et al. Biopolymers 29, 813-822, (1990).
!
!note 2:  Naming- upfield=2  vs. downfield=1
!	  Two beta protons are named downfield beta proton, hb1, 
!	    and upfield beta proton, hb2; if degenerate, then hb*.
!	  For CH3 protons the protons hb11,hb12,hb13 and hb21,hb22,hb23.
!	    If degenerate, use hb1* for the downfield and hb2* for the upfield. 	   
!	  Gamma, delta, epsilon, and eta, protons were treated in a similar manner.
!
!Note 2a: Naming Ile
!	  gamma CH3 hg2*
!	  gamma CH2 hg11 hg12, if they are degenerate, then use hg1*
!	  gamma and delta CH3 groups are distinguishable in the HCCH-TOCSY b/c
!	       they give very different patterns (as per Abey)	
! 
!note 3a: Pseudo-corrections
!	   (a) CH3 groups add 1.0 A to the upper limit
!	   (b) CH2 group with degenerate protons add 1.0 A to the upper limit
!	   (c) degenerate CH3 groups for V, L add 1.7 A tot he upper limit
!	   (d) aromatics add 2.3 A to the upper limit
!
!
!Conditions for 2D 200 ms NOESY
!contour level = 0.075
!# of levels= 25
!level mult= 1.4
!very strong (not used  )	= 1.8 0 1.0 (1.8 to 2.8 angstroms)
!strong noe (<=9 contours)      = 1.8 0 1.0 (1.8 to 2.8 angstroms)
!medium noe (6-8 countours)     = 1.8 0 1.5 (1.8 to 3.3 angstroms)
!weak noe   (3-5 countours)     = 1.8 0 3.2 (1.8 to 5.0 angstroms)
!very weak(1-2 contours) 	= 1.8 0 4.2 (1.8 to 6.0 angstroms)
	! on advice of A.D., very weak category is as above.
	!very weak(not seen at lvl=0.1) = 2.5 0 3.5 (2.5 to 6.0 angstroms
!residue arbitrary assignment (nh-ppm)
!
!        (destination residue) (origin residue)
!assign (resid  and name hn) (resid  and name hn) {s-m-w, dest'n ppm, # contours,correction}
!  Contour notation:  x/y[g]  x=contours on upper side of diag, y=cont. on lower side,  g=gradient data
!order:
!	intraresidue
!	sequentials
!	medium range
!	long range ordered by dest'n ppm value	 
!	notes about questions
!!    Legend  !!
!!   %  comment about unusual strength assignment, correction, etc.
!!   &  consider adding this back as very weak


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!    Intra-residue NOE's, by spin system
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!


!!   Intra_res3.tbl Intra-residue NOE's from analysis of ROESY spectrum, completed 3/23/96
                        !!    Legend  !!


!Thr1
	assign (resid 1 and name ha) (resid 1 and name hg2*) 1.8 0 2.0  {s,4.14x1.29,9/11,1} 
	assign (resid 1 and name hb) (resid 1 and name hg2*) 1.8 0 2.0  {s,3.95x1.31,9/11,1} 
!Ile2 hn10 (8.50 ppm)
	assign (resid 2 and name ha) (resid 2 and name hg2*) 1.8 0 2.0  {s,,8/9,1} 
		!establishes chirality of Ile2 side chain. 12_14
	assign (resid 2 and name hn) (resid 2 and name ha) 1.8 0 1.5  {m,8.51x4.30,6/5,1} 
	assign (resid 2 and name hn) (resid 2 and name hb) 1.8 0 2.5  {m,8.51x1.61,5/3,1} 
	assign (resid 2 and name ha) (resid 2 and name hb) 1.8 0 2.5  {m,4.30x1.61,4/3,1} 
!Ser3 hn12 (8.28 ppm)
	assign (resid 3 and name hn) (resid 3 and name ha) 1.8 0 3.2 {w,8.32x5.03,2/0,0}
	assign (resid 3 and name hn) (resid 3 and name hb*) 1.8 0 2.5 {m,8.29x3.88,6/5,1}
	assign (resid 3 and name ha) (resid 3 and name hb*) 1.8 0 4.2 {w,4.99x3.88,?,1}
!Cys4 hn19 (7.89 ppm)
	assign (resid 4 and name hn) (resid 4 and name ha) 1.8 0 3.2 {w,7.89x4.81,2/0,0}
!Thr5 hn3 (9.33 ppm)
	assign (resid 5 and name hn) (resid 5 and name ha) 1.8 0 1.5 {m,9.34x4.35,3/4,0}
	assign (resid 5 and name hn) (resid 5 and name hg2*) 1.8 0 1.5 {m,9.34x1.17,5/4,0}
!Asn6 hn18 (7.92 ppm)
	assign (resid 6 and name hn) (resid 6 and name ha) 1.8 0 1.5 {m,7.93x5.06,5/0,0}
	assign (resid 6 and name hn) (resid 6 and name hb*) 1.8 0 4.2 {w,7.93x2.75,3/0,1}
	assign (resid 6 and name ha) (resid 6 and name hb*) 1.8 0 2.5 {m,5.06x2.75,u/5,1}
!Pro7 
!Lys8 hn16 (7.98 ppm)
	assign (resid 8 and name hn) (resid 8 and name ha) 1.8 0 1.5 {m,7.99x2.80,6/6,0} 
	assign (resid 8 and name hn) (resid 8 and name hb*) 1.8 0 2.5 {m,7.99x1.62,4/3,1} 
	assign (resid 8 and name hn) (resid 8 and name hg*) 1.8 0 3.2 {w,7.99x1.31&1.37,2/0,0} 
	assign (resid 8 and name ha) (resid 8 and name hb*) 1.8 0 2.0 {s,2.80x1.69,6/0,1} 
	assign (resid 8 and name hn) (resid 8 and name hb*) 1.8 0 2.5 {m,7.99x1.62,5/3,1} 
!Gln9 hn29 (7.31 ppm)
	assign (resid 9 and name hn) (resid 9 and name ha) 1.8 0 1.5 {m,7.31x4.04,4/0,0} 
	assign (resid 9 and name hn) (resid 9 and name hg*) 1.8 0 2.5 {m,7.31x2.37,4/4,1} 
	
!Cys10 hn22 (7.79 ppm)
	assign (resid 10 and name hn) (resid 10 and name hb*) 1.8 0 2.0 {s,7.79x3.03,7/8,0}
!Tyr11 hn30 (7.29 ppm)
	assign (resid 11 and name hn) (resid 11 and name ha) 1.8 0 1.0 {s,7.27x5.01,7/8,0}
	assign (resid 11 and name hn) (resid 11 and name hb2) 1.8 0 1.0 {s,7.27x3.38,6/6,0}
	assign (resid 11 and name hn) (resid 11 and name hb1) 1.8 0 1.5 {m,7.27x3.22,4/0,0}
	assign (resid 11 and name hd*) (resid 11 and name ha) 1.8 0 3.3 {s,7.19x5.01,12/13,2.3}
	assign (resid 11 and name hd*) (resid 11 and name hb2) 1.8 0 3.3 {s,7.19x3.38,8/7,2.3}
	assign (resid 11 and name hd*) (resid 11 and name hb1) 1.8 0 3.3 {s,7.19x3.22,6/7,2.3}
!Pro12 p2
	assign (resid 12 and name ha) (resid 12 and name hb1) 1.8 0 1.0 {s,4.29x2.35,13/10,0}
	assign (resid 12 and name hd1) (resid 12 and name hg1) 1.8 0 1.0 {s,3.88x2.10,10/8,0}
!His13 hn21 (7.82 ppm) 
	assign (resid 13 and name hn) (resid 13 and name ha) 1.8 0 1.5 {m,7.83x4.36,5/7,0}
	assign (resid 13 and name hn) (resid 13 and name hb*) 1.8 0 2.0 {s,7.83x3.28&3.40,7/7,1}
	assign (resid 13 and name ha) (resid 13 and name hb*) 1.8 0 2.0 {s,7.83x3.28&3.28,11/5,1}
		!Above two peaks are dispersive
!Cys14 hn8 (8.73 ppm)
	assign (resid 14 and name hn) (resid 14 and name hb*) 1.8 0 2.0 {s,8.73x2.94,7/9,1}
!Lys15 hn6 (8.84 ppm)
	assign (resid 15 and name hn) (resid 15 and name ha) 1.8 0 1.0 {s,8.86x3.57,7/6,0}
	assign (resid 15 and name hn) (resid 15 and name hb1) 1.8 0 1.0 {s,8.86x1.89,8/6,0}
	assign (resid 15 and name hn) (resid 15 and name hb2) 1.8 0 1.0 {s,8.86x1.48,8/7,0}
	assign (resid 15 and name ha) (resid 15 and name hb2) 1.8 0 1.0 {s,3.57x1.48,8/7,0}
	assign (resid 15 and name ha) (resid 15 and name hg*) 1.8 0 2.5 {m,3.57x1.05,4/3,0}
	assign (resid 15 and name hb2) (resid 15 and name hg*) 1.8 0 2.5 {m,1.46x1.05,5/0,0}
	assign (resid 15 and name hb2) (resid 15 and name hg*) 1.8 0 2.0 {s,1.46x1.05,11/10,1}
!Lys16 hn25 (7.59 ppm)
	assign (resid 16 and name ha) (resid 16 and name hb*) 1.8 0 2.0 {s,4.01x1.96&1.90,u/6r,u/7r,6/23,1}
	assign (resid 16 and name ha) (resid 16 and name hb*) 1.8 0 2.0 {s,7.59x1.96&1.90,u/6r,u/7r,6/23,1}
!Glu17 hn15 (7.99 ppm)
	assign (resid 17 and name hn) (resid 17 and name ha) 1.8 0 1.0 {s,8.02x4.16,5/8,0}
	assign (resid 17 and name hn) (resid 17 and name hb*) 1.8 0 2.5 {m,8.02x2.10&1.94,4/0,1}
	assign (resid 17 and name hn) (resid 17 and name hg1) 1.8 0 3.2 {w,8.02x2.26,3/1,0}
	assign (resid 17 and name hn) (resid 17 and name hg2) 1.8 0 1.5 {m,8.02x2.20,3/4,0}
	assign (resid 17 and name ha) (resid 17 and name hb*) 1.8 0 2.5 {m,4.16x2.10&1.93,9/7&5/3,6/23,1}

!Thr18 hn11 (8.40 ppm)
	assign (resid 18 and name hn) (resid 18 and name ha) 1.8 0 1.5 {m,8.43x4.81,0/6,0}
	assign (resid 18 and name hn) (resid 18 and name hg2*) 1.8 0 1.0 {s,8.43x1.26,7/8,0}
!Gly19 hn20 (7.85 ppm)
	assign (resid 19 and name hn) (resid 19 and name ha1) 1.8 0 1.0 {s,7.85x4.25,10/6,0}
	assign (resid 19 and name hn) (resid 19 and name ha2) 1.8 0 1.0 {s,7.85x3.58,11/9,0}
!Tyr20 hn13 (8.20 ppm)
	assign (resid 20 and name hn) (resid 20 and name ha) 1.8 0 3.2 {w,8.20x4.87,2/2,0}
	assign (resid 20 and name hn) (resid 20 and name hb2) 1.8 0 1.0 {s,8.20x2.43,6/7,0}
	assign (resid 20 and name hd*) (resid 20 and name hb1) 1.8 0 3.3 {s,6.97x3.03,10/10,1}
	assign (resid 20 and name hd*) (resid 20 and name hb2) 1.8 0 2.3 {s,6.97x2.43,10/19,1}
	assign (resid 20 and name he*) (resid 20 and name hb1) 1.8 0 3.2 {w,6.83x3.03,3/3,1}
	assign (resid 20 and name hd*) (resid 20 and name hn) 1.8 0 1.5 {m,6.97x8.21,4/5,1,5_27}
!Pro21 p1
!Asn22 hn32 (7.04 ppm)
	assign (resid 22 and name hn) (resid 22 and name ha) 1.8 0 1.0 {s,7.04x4.22,7/8,0}
	assign (resid 22 and name hn) (resid 22 and name hb*) 1.8 0 2.5 {m,7.04x2.64&2.74,4/6,1}
	assign (resid 22 and name ha) (resid 22 and name hb*) 1.8 0 2.0 {s,4.22x2.74&2.64,11/6,1}
!Ala23 hn17 (7.93 ppm)
	assign (resid 23 and name hn) (resid 23 and name ha) 1.8 0 1.5 {m,7.93x5.31,4/4,0}
	assign (resid 23 and name hn) (resid 23 and name hb*) 1.8 0 2.0 {s,7.93x1.53,7/8,0}
	assign (resid 23 and name ha) (resid 23 and name hb*) 1.8 0 2.0 {s,5.31x1.53,7/8,0}
!Lys24 hn9 (8.56 ppm)
	assign (resid 24 and name hn) (resid 24 and name hb2) 1.8 0 1.0 {s,8.56x1.67,6/3,0}
	assign (resid 24 and name hn) (resid 24 and name hg*) 1.8 0 2.5 {m,8.56x1.45,3/0,1}
	assign (resid 24 and name hb2) (resid 24 and name he*) 1.8 0 2.0 {s,1.67x2.86,12/11,1}
!Cys25 hn5a (8.90 ppm)
	assign (resid 25 and name hn) (resid 25 and name ha) 1.8 0 1.5 {m,8.90x5.0,0/4,0}
	assign (resid 25 and name hn) (resid 25 and name hb2) 1.8 0 1.0 {s,8.90x2.8,6/7,0}
	assign (resid 25 and name ha) (resid 25 and name hb1) 1.8 0 1.0 {s,5.04x2.10,5/6,0}
!Met26 hn7 (8.78 ppm)
	assign (resid 26 and name hn) (resid 26 and name hb*) 1.8 0 2.5 {m,8.78x1.78,6/3,1}
	assign (resid 26 and name hg*) (resid 26 and name hb*) 1.8 0 3.0 {s,2.44x1.78,9/6,2}
!Asn27 hn1 (9.47 ppm)
	assign (resid 27 and name hn) (resid 27 and name ha) 1.8 0 1.0 {s,9.47x4.32,9/9,0}
	assign (resid 27 and name ha) (resid 27 and name hb1) 1.8 0 1.0 {s,4.32x2.99,11/7,0}
	assign (resid 27 and name ha) (resid 27 and name hb2) 1.8 0 1.0 {s,4.32x2.72,13/9,0}
		!Above two peaks are antiphase
!Arg28 hn31/hn37 (7.05/8.50 ppm)
	assign (resid 28 and name hn) (resid 28 and name ha) 1.8 0 1.0 {s,8.51x4.09,12/12,0}
	assign (resid 28 and name ha) (resid 28 and name hb*) 1.8 0 2.0 {s,4.09x2.25,7/8,1}
	assign (resid 28 and name ha) (resid 28 and name hg*) 1.8 0 2.0 {s,4.09x1.60,7/6,1}
	assign (resid 28 and name hb*) (resid 28 and name hd*) 1.8 0 3.5 {m,2.25x3.20,3/5,2}
!Lys29 hn24 (7.67 ppm)
	assign (resid 29 and name hn) (resid 29 and name hb*) 1.8 0 2.0 {s,7.67x1.72,6/0,1}
	assign (resid 29 and name ha) (resid 29 and name hg*) 1.8 0 2.5 {m,5.01x1.36,5/0,0}
	assign (resid 29 and name hb*) (resid 29 and name he*) 1.8 0 3.5 {m,1.72x3.00,9/4,2}
!Cys30 hn36 (8.55 ppm)
	assign (resid 30 and name ha) (resid 30 and name hb*) 1.8 0 2.5 {m,4.82x2.58&2.80,4/5,1}
!Lys31 hn4 (9.11 ppm)
	assign (resid 31 and name hn) (resid 31 and name hb*) 1.8 0 2.5 {m,9.11x1.76&1.66,4/2,1}
	assign (resid 31 and name hb*) (resid 31 and name hg*) 1.8 0 3.0 {s,1.65x1.17,13/13,2}
	assign (resid 31 and name hb*) (resid 31 and name hd*) 1.8 0 3.0 {s,1.65x2.86,12/11,2}
!Cys32 hn5b (8.90 ppm)
	assign (resid 32 and name hn) (resid 32 and name hb2) 1.8 0 1.0 {s,8.91x2.71,7/9,0}
	assign (resid 32 and name ha) (resid 32 and name hb1) 1.8 0 1.5 {m,5.14x3.71,7/6,0,change to met 8_20_96}
	assign (resid 32 and name ha) (resid 32 and name hb2) 1.8 0 1.5 {m,5.14x2.71,3/7,0,change to met 8_20_96}
!Phe33 hn14 (8.19 ppm)
	assign (resid 33 and name hn) (resid 33 and name hb2) 1.8 0 1.0 {s,8.19x2.71,8/8,0}
	assign (resid 33 and name hn) (resid 33 and name hd*) 1.8 0 3.8 {m,7.15x8.20,5/6,2.3,5_27}
!Gly34 hn2 (9.46 ppm)
	assign (resid 34 and name hn) (resid 34 and name ha2) 1.8 0 1.0 {s,9.49x3.68,8/8,0}
	assign (resid 34 and name hn) (resid 34 and name ha1) 1.8 0 1.5 {s,9.49x3.97,3/6,0}
!Arg35 hn33/hn26 (7.01/7.52 ppm)
	assign (resid 35 and name hn) (resid 35 and name ha) 1.8 0 1.0 {s,7.52x3.25,6/7,0}
	assign (resid 35 and name hn) (resid 35 and name hb*) 1.8 0 2.5 {m,7.52x1.50&1.32,5/2,1}
	assign (resid 35 and name hn) (resid 35 and name hd*) 1.8 0 4.2 {w,7.52x3.01,4/0,1,red to weak 7_06}
	assign (resid 35 and name ha) (resid 35 and name hb*) 1.8 0 2.5 {s,3.25x1.32,4/0,1,7_06}
	assign (resid 35 and name hd*) (resid 35 and name hb*) 1.8 0 3.0 {s,3.0x1.32,10/8,2}
	assign (resid 35 and name hd*) (resid 35 and name hg*) 1.8 0 5.2 {w,3.0x1.26,6/4,2,red to weak 7_06}
	assign (resid 35 and name he) (resid 35 and name hd*) 1.8 0 2.5 {m,7.01x3.01,6/u,1,red to med 7_06}



!roesy data (H2O) - roesy4_face2. 
!
!Note 1:  number in parentheses are number of contours seen at lvl=0.025 of ROESY spectrum
!	  Peak picking paramaters in roesy_picknoe.mac
!         lvl = 0.025, #lev = 25 level mult.= 1.28,geometric.  Negative levels on.
!	  Nilges et al. Biopolymers 29, 813-822, (1990).
!
!note 2:  Naming- upfield=2  vs. downfield=1
!	  Two beta protons are named downfield beta proton, hb1, 
!	    and upfield beta proton, hb2; if degenerate, then hb*.
!	  For CH3 protons the protons hb11,hb12,hb13 and hb21,hb22,hb23.
!	    If degenerate, use hb1* for the downfield and hb2* for the upfield. 	   
!	  Gamma, delta, epsilon, and eta, protons were treated in a similar manner.
!
!Note 2a: Naming Ile
!	  gamma CH3 hg2*
!	  gamma CH2 hg11 hg12, if they are degenerate, then use hg1*
!	  gamma and delta CH3 groups are distinguishable in the HCCH-TOCSY b/c
!	       they give very different patterns (as per Abey)	
! 
!note 3a: Pseudo-corrections
!	   (a) CH3 groups add 1.0 A to the upper limit
!	   (b) CH2 group with degenerate protons add 1.0 A to the upper limit
!	   (c) degenerate CH3 groups for V, L add 1.7 A tot he upper limit
!	   (d) aromatics add 2.3 A to the upper limit
!
!
!Conditions for 2D 150 ms ROESY (roesy_picknoe.mac)
!contour level = 0.025
!# of levels= 25
!level mult= 1.28
!very strong (not used  )	= 1.8 0 1.0 (1.8 to 2.8 angstroms)
!strong noe (>=6 contours)      = 1.8 0 1.0 (1.8 to 2.8 angstroms)
!medium noe (3-6 countours)     = 1.8 0 1.5 (1.8 to 3.3 angstroms)
!weak noe   (<3 countours)     = 1.8 0 3.2 (1.8 to 5.0 angstroms)

remarks  file dihedral1.tbl
remarks  set up dihedral angle restraints for chi.
remarks 2 line example follows
remarks assign (segid="sbm1" and resid 1 and name c) (segid="sbm1" and resid 2 and name n)
remarks        (segid="sbm1" and resid 2 and name ca) (segid="sbm1" and resid 2 and name c) 1 -60 40 2
remarks ----------------------------------------------------------------------------------------------

restraints dihedral
nassign 100
reset

assign (resid 2 and name n) (resid 2 and name ca)
	(resid 2 and name cb) (resid 2 and name cg1) 1 300 40 2
assign (resid 11 and name n) (resid 11 and name ca)
	(resid 11 and name cb) (resid 11 and name cg) 1 -60 40 2
assign (resid 15 and name n) (resid 15 and name ca)
	(resid 15 and name cb) (resid 15 and name cg) 1 180 40 2
assign (resid 20 and name n) (resid 20 and name ca)
	(resid 20 and name cb) (resid 20 and name cg) 1 300 40 2
assign (resid 24 and name n) (resid 24 and name ca)
	(resid 24 and name cb) (resid 24 and name cg) 1 300 40 2
assign (resid 25 and name n) (resid 25 and name ca)
	(resid 25 and name cb) (resid 25 and name sg) 1 300 40 2
assign (resid 27 and name n) (resid 27 and name ca)
	(resid 27 and name cb) (resid 27 and name cg) 1 60 40 2
assign (resid 32 and name n) (resid 32 and name ca)
	(resid 32 and name cb) (resid 32 and name sg) 1 300 40 2
assign (resid 33 and name n) (resid 33 and name ca)
	(resid 33 and name cb) (resid 33 and name cg) 1 300 40 2

end
flags include cdih end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   4           HT2      THR   4   2.968  -3.518  -9.902
    2   2H    THR   4           HT1      THR   4   2.709  -5.125  -9.415
    3   3H    THR   4           HT3      THR   4   1.487  -3.968  -9.202
    4    HA   THR   4           HA       THR   4   2.250  -3.798  -7.123
    5    HB   THR   4           HB       THR   4   4.527  -4.598  -6.493
    6    HG1  THR   4           HG1      THR   4   5.857  -5.391  -8.058
    7   1HG2  THR   4          HG21      THR   4   2.420  -6.173  -7.764
    8   2HG2  THR   4          HG23      THR   4   3.992  -6.971  -7.836
    9   3HG2  THR   4          HG22      THR   4   3.317  -6.492  -6.278
   10    H    ILE   5           HN       ILE   5   3.314  -2.090  -5.964
   11    HA   ILE   5           HA       ILE   5   4.715  -0.133  -7.744
   12    HB   ILE   5           HB       ILE   5   3.483   0.910  -5.269
   13   1HG1  ILE   5          HG12      ILE   5   1.682   0.114  -7.574
   14   2HG1  ILE   5          HG11      ILE   5   1.827  -0.842  -6.098
   15   1HG2  ILE   5          HG21      ILE   5   4.546   2.277  -7.072
   16   2HG2  ILE   5          HG23      ILE   5   3.282   1.742  -8.178
   17   3HG2  ILE   5          HG22      ILE   5   2.867   2.724  -6.772
   18   1HD1  ILE   5          HD12      ILE   5   1.427   1.663  -5.069
   19   2HD1  ILE   5          HD11      ILE   5   0.460   1.739  -6.541
   20   3HD1  ILE   5          HD13      ILE   5   0.141   0.487  -5.341
   21    H    SER   6           HN       SER   6   6.125   1.419  -6.392
   22    HA   SER   6           HA       SER   6   7.650  -0.220  -4.414
   23   1HB   SER   6           HB2      SER   6   9.001   0.481  -6.313
   24   2HB   SER   6           HB1      SER   6   8.473   2.150  -6.120
   25    HG   SER   6           HG       SER   6  10.249   2.225  -4.961
   26    H    CYS   7           HN       CYS   7   7.151   0.324  -2.339
   27    HA   CYS   7           HA       CYS   7   6.903   3.223  -1.702
   28   1HB   CYS   7           HB2      CYS   7   4.979   2.769  -0.242
   29   2HB   CYS   7           HB1      CYS   7   4.617   2.291  -1.900
   30    H    THR   8           HN       THR   8   8.504   3.614  -0.264
   31    HA   THR   8           HA       THR   8   9.516   1.454   1.463
   32    HB   THR   8           HB       THR   8  11.271   2.975   2.045
   33    HG1  THR   8           HG1      THR   8   9.520   4.941   1.005
   34   1HG2  THR   8          HG22      THR   8  10.386   3.345  -0.825
   35   2HG2  THR   8          HG21      THR   8  11.951   3.889  -0.222
   36   3HG2  THR   8          HG23      THR   8  11.548   2.172  -0.203
   37    H    ASN   9           HN       ASN   9   6.899   3.412   1.609
   38    HA   ASN   9           HA       ASN   9   6.779   3.219   4.558
   39   1HB   ASN   9           HB2      ASN   9   6.276   5.810   3.053
   40   2HB   ASN   9           HB1      ASN   9   6.066   5.565   4.786
   41   1HD2  ASN   9          HD22      ASN   9   9.655   6.659   3.506
   42   2HD2  ASN   9          HD21      ASN   9   8.207   6.890   2.651
   43    HA   PRO  10           HA       PRO  10   2.586   2.280   3.642
   44   1HB   PRO  10           HB2      PRO  10   1.384   3.107   5.972
   45   2HB   PRO  10           HB1      PRO  10   2.356   1.631   5.842
   46   1HG   PRO  10           HG2      PRO  10   3.057   4.239   7.105
   47   2HG   PRO  10           HG1      PRO  10   3.672   2.617   7.466
   48   1HD   PRO  10           HD2      PRO  10   5.015   4.602   5.964
   49   2HD   PRO  10           HD1      PRO  10   5.457   2.883   6.050
   50    H    LYS  11           HN       LYS  11   3.314   5.547   4.742
   51    HA   LYS  11           HA       LYS  11   0.842   6.822   4.309
   52   1HB   LYS  11           HB2      LYS  11   3.434   7.639   4.901
   53   2HB   LYS  11           HB1      LYS  11   3.095   8.418   3.355
   54   1HG   LYS  11           HG2      LYS  11   0.743   8.672   4.912
   55   2HG   LYS  11           HG1      LYS  11   2.091   9.100   5.966
   56   1HD   LYS  11           HD2      LYS  11   2.937  10.654   4.223
   57   2HD   LYS  11           HD1      LYS  11   1.540  10.263   3.220
   58   1HE   LYS  11           HE2      LYS  11   1.422  11.482   5.994
   59   2HE   LYS  11           HE1      LYS  11   1.163  12.351   4.483
   60   1HZ   LYS  11           HZ3      LYS  11  -0.471  10.096   4.449
   61   2HZ   LYS  11           HZ2      LYS  11  -0.678  10.835   5.965
   62   3HZ   LYS  11           HZ1      LYS  11  -0.943  11.722   4.541
   63    H    GLN  12           HN       GLN  12   3.046   5.481   1.981
   64    HA   GLN  12           HA       GLN  12   1.974   7.039  -0.263
   65   1HB   GLN  12           HB2      GLN  12   3.845   4.669  -0.070
   66   2HB   GLN  12           HB1      GLN  12   3.306   5.322  -1.617
   67   1HG   GLN  12           HG2      GLN  12   4.322   7.311   0.336
   68   2HG   GLN  12           HG1      GLN  12   5.525   6.206  -0.332
   69   1HE2  GLN  12          HE22      GLN  12   5.728   8.436  -3.076
   70   2HE2  GLN  12          HE21      GLN  12   6.534   7.759  -1.744
   71    H    CYS  13           HN       CYS  13   1.780   3.638   0.817
   72    HA   CYS  13           HA       CYS  13  -0.233   2.977  -1.179
   73   1HB   CYS  13           HB2      CYS  13   1.191   1.588   1.011
   74   2HB   CYS  13           HB1      CYS  13  -0.444   1.005   0.704
   75    H    TYR  14           HN       TYR  14  -0.339   4.746   1.675
   76    HA   TYR  14           HA       TYR  14  -2.820   3.842   2.767
   77   1HB   TYR  14           HB2      TYR  14  -0.974   6.093   3.158
   78   2HB   TYR  14           HB1      TYR  14  -2.659   6.483   3.485
   79    HD1  TYR  14           HD1      TYR  14  -0.916   3.211   3.882
   80    HD2  TYR  14           HD2      TYR  14  -2.755   6.554   5.855
   81    HE1  TYR  14           HE1      TYR  14  -0.747   2.023   6.053
   82    HE2  TYR  14           HE2      TYR  14  -2.587   5.365   8.026
   83    HH   TYR  14           HH       TYR  14  -1.187   3.565   9.029
   84    HA   PRO  15           HA       PRO  15  -4.821   7.327   0.210
   85   1HB   PRO  15           HB2      PRO  15  -3.179   8.713  -1.516
   86   2HB   PRO  15           HB1      PRO  15  -3.586   9.251   0.127
   87   1HG   PRO  15           HG2      PRO  15  -1.029   8.141  -0.910
   88   2HG   PRO  15           HG1      PRO  15  -1.329   9.118   0.531
   89   1HD   PRO  15           HD2      PRO  15  -0.880   6.314   0.504
   90   2HD   PRO  15           HD1      PRO  15  -1.447   7.292   1.871
   91    H    HIS  16           HN       HIS  16  -2.104   5.888  -1.619
   92    HA   HIS  16           HA       HIS  16  -3.341   5.727  -4.140
   93   1HB   HIS  16           HB2      HIS  16  -0.955   5.119  -3.659
   94   2HB   HIS  16           HB1      HIS  16  -1.528   3.622  -2.924
   95    HD1  HIS  16           HD1      HIS  16  -2.478   5.387  -6.180
   96    HD2  HIS  16           HD2      HIS  16  -1.223   1.651  -4.821
   97    HE1  HIS  16           HE1      HIS  16  -2.445   3.863  -8.203
   98    H    CYS  17           HN       CYS  17  -3.535   3.453  -1.399
   99    HA   CYS  17           HA       CYS  17  -5.383   1.714  -2.865
  100   1HB   CYS  17           HB2      CYS  17  -3.758   1.463  -0.562
  101   2HB   CYS  17           HB1      CYS  17  -5.424   1.264  -0.019
  102    H    LYS  18           HN       LYS  18  -5.608   4.443  -0.718
  103    HA   LYS  18           HA       LYS  18  -8.180   4.101   0.371
  104   1HB   LYS  18           HB2      LYS  18  -6.539   6.023   0.774
  105   2HB   LYS  18           HB1      LYS  18  -7.171   6.738  -0.711
  106   1HG   LYS  18           HG2      LYS  18  -9.436   6.739   0.218
  107   2HG   LYS  18           HG1      LYS  18  -8.854   5.949   1.685
  108   1HD   LYS  18           HD2      LYS  18  -7.202   8.219   1.272
  109   2HD   LYS  18           HD1      LYS  18  -8.869   8.754   1.051
  110   1HE   LYS  18           HE2      LYS  18  -9.492   7.765   3.211
  111   2HE   LYS  18           HE1      LYS  18  -7.844   7.175   3.430
  112   1HZ   LYS  18           HZ2      LYS  18  -8.286  10.031   2.911
  113   2HZ   LYS  18           HZ1      LYS  18  -8.582   9.425   4.470
  114   3HZ   LYS  18           HZ3      LYS  18  -7.039   9.273   3.781
  115    H    LYS  19           HN       LYS  19  -7.262   4.532  -2.928
  116    HA   LYS  19           HA       LYS  19 -10.137   4.964  -3.632
  117   1HB   LYS  19           HB2      LYS  19  -9.349   6.066  -5.692
  118   2HB   LYS  19           HB1      LYS  19  -8.728   6.891  -4.262
  119   1HG   LYS  19           HG2      LYS  19  -6.585   5.732  -4.483
  120   2HG   LYS  19           HG1      LYS  19  -7.198   4.819  -5.864
  121   1HD   LYS  19           HD2      LYS  19  -5.881   6.690  -6.692
  122   2HD   LYS  19           HD1      LYS  19  -7.581   6.985  -7.062
  123   1HE   LYS  19           HE2      LYS  19  -7.769   8.687  -5.513
  124   2HE   LYS  19           HE1      LYS  19  -6.532   8.005  -4.458
  125   1HZ   LYS  19           HZ1      LYS  19  -5.849   9.060  -7.128
  126   2HZ   LYS  19           HZ3      LYS  19  -5.957  10.089  -5.784
  127   3HZ   LYS  19           HZ2      LYS  19  -4.833   8.816  -5.789
  128    H    GLU  20           HN       GLU  20  -7.150   3.225  -4.354
  129    HA   GLU  20           HA       GLU  20  -8.006   1.812  -6.654
  130   1HB   GLU  20           HB2      GLU  20  -6.142   0.998  -4.410
  131   2HB   GLU  20           HB1      GLU  20  -6.360   0.052  -5.883
  132   1HG   GLU  20           HG2      GLU  20  -5.898   2.859  -6.490
  133   2HG   GLU  20           HG1      GLU  20  -4.580   2.183  -5.532
  134    H    THR  21           HN       THR  21  -8.263   0.905  -3.208
  135    HA   THR  21           HA       THR  21 -10.458  -0.965  -4.010
  136    HB   THR  21           HB       THR  21  -8.582  -2.313  -3.320
  137    HG1  THR  21           HG1      THR  21 -10.132  -3.328  -2.335
  138   1HG2  THR  21          HG23      THR  21  -7.333  -0.508  -2.173
  139   2HG2  THR  21          HG22      THR  21  -8.480  -0.579  -0.836
  140   3HG2  THR  21          HG21      THR  21  -7.439  -1.960  -1.178
  141    H    GLY  22           HN       GLY  22  -9.827   1.877  -2.487
  142   1HA   GLY  22           HA2      GLY  22 -11.420   3.175  -1.289
  143   2HA   GLY  22           HA1      GLY  22 -12.309   1.697  -0.941
  144    H    TYR  23           HN       TYR  23  -9.914   0.268   0.010
  145    HA   TYR  23           HA       TYR  23  -9.939   1.316   2.754
  146   1HB   TYR  23           HB2      TYR  23  -8.363  -1.044   1.721
  147   2HB   TYR  23           HB1      TYR  23  -8.896  -0.734   3.373
  148    HD1  TYR  23           HD2      TYR  23 -11.627  -0.120   3.346
  149    HD2  TYR  23           HD1      TYR  23  -9.525  -2.772   0.698
  150    HE1  TYR  23           HE2      TYR  23 -13.739  -1.338   2.887
  151    HE2  TYR  23           HE1      TYR  23 -11.636  -3.989   0.240
  152    HH   TYR  23           HH       TYR  23 -14.037  -4.179   1.865
  153    HA   PRO  24           HA       PRO  24  -6.090   3.443   1.813
  154   1HB   PRO  24           HB2      PRO  24  -6.128   4.964   4.103
  155   2HB   PRO  24           HB1      PRO  24  -7.042   5.376   2.643
  156   1HG   PRO  24           HG2      PRO  24  -8.034   4.257   5.223
  157   2HG   PRO  24           HG1      PRO  24  -8.890   5.242   4.025
  158   1HD   PRO  24           HD2      PRO  24  -9.130   2.437   4.345
  159   2HD   PRO  24           HD1      PRO  24  -9.713   3.385   2.960
  160    H    ASN  25           HN       ASN  25  -7.010   1.654   4.684
  161    HA   ASN  25           HA       ASN  25  -4.515   1.672   6.055
  162   1HB   ASN  25           HB2      ASN  25  -6.735  -0.386   5.970
  163   2HB   ASN  25           HB1      ASN  25  -5.354  -0.492   7.062
  164   1HD2  ASN  25          HD22      ASN  25  -6.850   1.672   9.386
  165   2HD2  ASN  25          HD21      ASN  25  -5.776   0.392   9.082
  166    H    ALA  26           HN       ALA  26  -2.844   1.390   4.478
  167    HA   ALA  26           HA       ALA  26  -2.608  -1.426   3.509
  168   1HB   ALA  26           HB3      ALA  26  -1.871   1.093   1.987
  169   2HB   ALA  26           HB2      ALA  26  -1.523  -0.550   1.450
  170   3HB   ALA  26           HB1      ALA  26  -3.194  -0.006   1.597
  171    H    LYS  27           HN       LYS  27  -0.641  -2.350   3.933
  172    HA   LYS  27           HA       LYS  27   1.359  -0.662   5.337
  173   1HB   LYS  27           HB2      LYS  27   0.854  -3.631   5.165
  174   2HB   LYS  27           HB1      LYS  27   2.394  -3.009   5.759
  175   1HG   LYS  27           HG2      LYS  27   1.415  -1.987   7.622
  176   2HG   LYS  27           HG1      LYS  27  -0.182  -1.933   6.875
  177   1HD   LYS  27           HD2      LYS  27  -0.407  -3.686   8.414
  178   2HD   LYS  27           HD1      LYS  27  -0.017  -4.541   6.922
  179   1HE   LYS  27           HE2      LYS  27   1.500  -5.519   8.386
  180   2HE   LYS  27           HE1      LYS  27   2.472  -4.195   7.743
  181   1HZ   LYS  27           HZ1      LYS  27   1.276  -2.961   9.752
  182   2HZ   LYS  27           HZ3      LYS  27   1.308  -4.532  10.389
  183   3HZ   LYS  27           HZ2      LYS  27   2.756  -3.775   9.925
  184    H    CYS  28           HN       CYS  28   3.734  -1.398   4.831
  185    HA   CYS  28           HA       CYS  28   4.055  -1.985   1.927
  186   1HB   CYS  28           HB2      CYS  28   4.964   0.452   3.417
  187   2HB   CYS  28           HB1      CYS  28   5.986  -0.181   2.127
  188    H    MET  29           HN       MET  29   5.992  -3.087   1.440
  189    HA   MET  29           HA       MET  29   7.758  -3.725   3.763
  190   1HB   MET  29           HB2      MET  29   6.543  -5.652   1.765
  191   2HB   MET  29           HB1      MET  29   7.896  -6.074   2.816
  192   1HG   MET  29           HG2      MET  29   6.420  -5.296   4.765
  193   2HG   MET  29           HG1      MET  29   5.081  -5.319   3.616
  194   1HE   MET  29           HE1      MET  29   4.541  -7.017   2.159
  195   2HE   MET  29           HE3      MET  29   5.867  -8.112   1.747
  196   3HE   MET  29           HE2      MET  29   4.442  -8.724   2.582
  197    H    ASN  30           HN       ASN  30   9.574  -5.347   2.431
  198    HA   ASN  30           HA       ASN  30  11.311  -3.544   1.176
  199   1HB   ASN  30           HB2      ASN  30  12.169  -5.747  -0.007
  200   2HB   ASN  30           HB1      ASN  30  12.344  -5.554   1.738
  201   1HD2  ASN  30          HD22      ASN  30  10.664  -8.637   2.105
  202   2HD2  ASN  30          HD21      ASN  30  12.074  -7.740   2.400
  203    H    ARG  31           HN       ARG  31  10.156  -2.242  -0.336
  204    HA   ARG  31           HA       ARG  31   9.288  -1.685  -2.445
  205   1HB   ARG  31           HB2      ARG  31  11.494  -3.271  -2.856
  206   2HB   ARG  31           HB1      ARG  31  10.250  -4.146  -3.750
  207   1HG   ARG  31           HG2      ARG  31  10.451  -2.655  -5.420
  208   2HG   ARG  31           HG1      ARG  31   9.867  -1.399  -4.326
  209   1HD   ARG  31           HD2      ARG  31  12.346  -1.405  -3.451
  210   2HD   ARG  31           HD1      ARG  31  12.694  -2.143  -5.013
  211    HE   ARG  31           HE       ARG  31  11.175   0.047  -5.697
  212   1HH1  ARG  31          HH21      ARG  31  12.117   1.349  -3.182
  213   2HH1  ARG  31          HH22      ARG  31  13.584   2.116  -3.690
  214   1HH2  ARG  31          HH11      ARG  31  13.864   0.248  -6.600
  215   2HH2  ARG  31          HH12      ARG  31  14.575   1.491  -5.625
  216    H    LYS  32           HN       LYS  32   7.493  -3.037  -0.748
  217    HA   LYS  32           HA       LYS  32   5.811  -4.395  -2.784
  218   1HB   LYS  32           HB2      LYS  32   6.947  -5.630  -0.337
  219   2HB   LYS  32           HB1      LYS  32   5.235  -5.940  -0.630
  220   1HG   LYS  32           HG2      LYS  32   6.571  -6.204  -3.126
  221   2HG   LYS  32           HG1      LYS  32   7.507  -7.112  -1.937
  222   1HD   LYS  32           HD2      LYS  32   5.230  -8.071  -1.168
  223   2HD   LYS  32           HD1      LYS  32   4.609  -7.456  -2.701
  224   1HE   LYS  32           HE2      LYS  32   7.138  -8.993  -2.870
  225   2HE   LYS  32           HE1      LYS  32   5.710  -9.924  -2.421
  226   1HZ   LYS  32           HZ1      LYS  32   4.645  -8.624  -4.381
  227   2HZ   LYS  32           HZ3      LYS  32   6.251  -8.428  -4.890
  228   3HZ   LYS  32           HZ2      LYS  32   5.609  -9.988  -4.695
  229    H    CYS  33           HN       CYS  33   3.522  -4.752  -1.758
  230    HA   CYS  33           HA       CYS  33   2.883  -2.749   0.321
  231   1HB   CYS  33           HB2      CYS  33   2.778  -1.488  -1.803
  232   2HB   CYS  33           HB1      CYS  33   1.644  -2.675  -2.447
  233    H    LYS  34           HN       LYS  34   1.388  -3.632   1.658
  234    HA   LYS  34           HA       LYS  34  -0.358  -5.803   0.561
  235   1HB   LYS  34           HB2      LYS  34   1.398  -5.739   2.873
  236   2HB   LYS  34           HB1      LYS  34  -0.265  -6.069   3.358
  237   1HG   LYS  34           HG2      LYS  34  -0.407  -7.900   1.740
  238   2HG   LYS  34           HG1      LYS  34   1.226  -7.548   1.172
  239   1HD   LYS  34           HD2      LYS  34   2.158  -8.100   3.349
  240   2HD   LYS  34           HD1      LYS  34   0.542  -8.314   4.023
  241   1HE   LYS  34           HE2      LYS  34   0.136 -10.182   2.463
  242   2HE   LYS  34           HE1      LYS  34   1.752  -9.970   1.788
  243   1HZ   LYS  34           HZ1      LYS  34   2.671 -10.403   3.993
  244   2HZ   LYS  34           HZ3      LYS  34   1.111 -10.659   4.606
  245   3HZ   LYS  34           HZ2      LYS  34   1.747 -11.715   3.437
  246    H    CYS  35           HN       CYS  35  -2.005  -4.228   0.055
  247    HA   CYS  35           HA       CYS  35  -3.032  -2.340   1.938
  248   1HB   CYS  35           HB2      CYS  35  -4.174  -3.648  -0.526
  249   2HB   CYS  35           HB1      CYS  35  -5.134  -2.530   0.443
  250    H    PHE  36           HN       PHE  36  -5.485  -2.560   2.622
  251    HA   PHE  36           HA       PHE  36  -5.663  -5.084   4.173
  252   1HB   PHE  36           HB2      PHE  36  -6.865  -2.344   4.421
  253   2HB   PHE  36           HB1      PHE  36  -7.671  -3.711   5.192
  254    HD1  PHE  36           HD2      PHE  36  -4.015  -3.434   4.671
  255    HD2  PHE  36           HD1      PHE  36  -7.239  -3.131   7.492
  256    HE1  PHE  36           HE2      PHE  36  -2.377  -3.353   6.531
  257    HE2  PHE  36           HE1      PHE  36  -5.601  -3.049   9.354
  258    HZ   PHE  36           HZ       PHE  36  -3.171  -3.159   8.872
  259    H    GLY  37           HN       GLY  37  -6.199  -5.380   1.430
  260   1HA   GLY  37           HA2      GLY  37  -8.371  -6.933   1.152
  261   2HA   GLY  37           HA1      GLY  37  -9.142  -5.346   1.139
  262    H    ARG  38           HN       ARG  38  -6.210  -6.761  -0.367
  263    HA   ARG  38           HA       ARG  38  -6.484  -5.120  -2.719
  264   1HB   ARG  38           HB2      ARG  38  -4.450  -6.605  -1.649
  265   2HB   ARG  38           HB1      ARG  38  -4.960  -7.632  -2.991
  266   1HG   ARG  38           HG2      ARG  38  -4.969  -5.204  -4.213
  267   2HG   ARG  38           HG1      ARG  38  -3.674  -4.962  -3.039
  268   1HD   ARG  38           HD2      ARG  38  -2.314  -6.063  -4.462
  269   2HD   ARG  38           HD1      ARG  38  -3.217  -7.525  -4.062
  270    HE   ARG  38           HE       ARG  38  -4.596  -6.037  -6.102
  271   1HH1  ARG  38          HH11      ARG  38  -1.616  -7.674  -5.621
  272   2HH1  ARG  38          HH12      ARG  38  -1.634  -8.455  -7.166
  273   1HH2  ARG  38          HH21      ARG  38  -4.741  -7.199  -8.060
  274   2HH2  ARG  38          HH22      ARG  38  -3.407  -8.190  -8.546
   
  No H/Q in entry =         274
  Start of MODEL    2
    1   1H    THR   4           HT2      THR   4   6.362  -3.239  -8.400
    2   2H    THR   4           HT1      THR   4   5.291  -4.116  -9.384
    3   3H    THR   4           HT3      THR   4   6.131  -2.787 -10.021
    4    HA   THR   4           HA       THR   4   3.892  -2.115  -9.599
    5    HB   THR   4           HB       THR   4   3.614  -3.955  -7.832
    6    HG1  THR   4           HG1      THR   4   2.170  -2.092  -8.334
    7   1HG2  THR   4          HG22      THR   4   5.633  -2.776  -6.541
    8   2HG2  THR   4          HG21      THR   4   4.300  -1.901  -5.790
    9   3HG2  THR   4          HG23      THR   4   4.371  -3.660  -5.685
   10    H    ILE   5           HN       ILE   5   3.666  -0.646  -7.004
   11    HA   ILE   5           HA       ILE   5   5.530   1.536  -7.717
   12    HB   ILE   5           HB       ILE   5   3.444   1.584  -5.529
   13   1HG1  ILE   5          HG12      ILE   5   3.087   2.174  -8.486
   14   2HG1  ILE   5          HG11      ILE   5   2.353   0.833  -7.606
   15   1HG2  ILE   5          HG22      ILE   5   5.184   3.526  -6.924
   16   2HG2  ILE   5          HG21      ILE   5   3.510   4.041  -6.718
   17   3HG2  ILE   5          HG23      ILE   5   4.478   3.603  -5.310
   18   1HD1  ILE   5          HD13      ILE   5   1.672   3.055  -6.082
   19   2HD1  ILE   5          HD12      ILE   5   1.528   3.636  -7.740
   20   3HD1  ILE   5          HD11      ILE   5   0.611   2.222  -7.218
   21    H    SER   6           HN       SER   6   6.556   2.721  -5.795
   22    HA   SER   6           HA       SER   6   7.632   0.683  -3.889
   23   1HB   SER   6           HB2      SER   6   9.013   3.290  -4.446
   24   2HB   SER   6           HB1      SER   6   9.706   1.746  -3.957
   25    HG   SER   6           HG       SER   6   8.905   1.008  -6.098
   26    H    CYS   7           HN       CYS   7   7.819   1.314  -1.667
   27    HA   CYS   7           HA       CYS   7   6.735   3.954  -0.900
   28   1HB   CYS   7           HB2      CYS   7   5.059   2.939   0.616
   29   2HB   CYS   7           HB1      CYS   7   4.730   2.550  -1.073
   30    H    THR   8           HN       THR   8   8.430   4.600   0.364
   31    HA   THR   8           HA       THR   8   9.939   2.718   2.001
   32    HB   THR   8           HB       THR   8  11.220   4.637   2.695
   33    HG1  THR   8           HG1      THR   8   9.340   6.328   1.456
   34   1HG2  THR   8          HG23      THR   8  10.956   3.910   0.089
   35   2HG2  THR   8          HG22      THR   8  10.554   5.623  -0.014
   36   3HG2  THR   8          HG21      THR   8  12.107   5.120   0.652
   37    H    ASN   9           HN       ASN   9   6.919   4.029   2.318
   38    HA   ASN   9           HA       ASN   9   6.797   3.373   5.168
   39   1HB   ASN   9           HB2      ASN   9   5.624   6.031   4.709
   40   2HB   ASN   9           HB1      ASN   9   6.614   5.462   6.052
   41   1HD2  ASN   9          HD22      ASN   9   9.548   6.952   4.800
   42   2HD2  ASN   9          HD21      ASN   9   8.769   6.178   6.093
   43    HA   PRO  10           HA       PRO  10   2.589   2.611   4.150
   44   1HB   PRO  10           HB2      PRO  10   1.165   3.706   6.229
   45   2HB   PRO  10           HB1      PRO  10   2.109   2.212   6.366
   46   1HG   PRO  10           HG2      PRO  10   2.732   4.935   7.409
   47   2HG   PRO  10           HG1      PRO  10   3.270   3.356   8.005
   48   1HD   PRO  10           HD2      PRO  10   4.806   5.151   6.456
   49   2HD   PRO  10           HD1      PRO  10   5.198   3.445   6.767
   50    H    LYS  11           HN       LYS  11   3.269   5.978   4.914
   51    HA   LYS  11           HA       LYS  11   0.903   7.254   4.141
   52   1HB   LYS  11           HB2      LYS  11   3.800   8.027   3.792
   53   2HB   LYS  11           HB1      LYS  11   2.498   9.090   3.259
   54   1HG   LYS  11           HG2      LYS  11   1.528   8.967   5.569
   55   2HG   LYS  11           HG1      LYS  11   2.953   8.056   6.071
   56   1HD   LYS  11           HD2      LYS  11   4.405   9.889   5.657
   57   2HD   LYS  11           HD1      LYS  11   3.181  10.749   4.723
   58   1HE   LYS  11           HE2      LYS  11   1.805  10.986   6.774
   59   2HE   LYS  11           HE1      LYS  11   3.074  10.181   7.699
   60   1HZ   LYS  11           HZ3      LYS  11   3.671  12.564   6.065
   61   2HZ   LYS  11           HZ2      LYS  11   3.048  12.723   7.637
   62   3HZ   LYS  11           HZ1      LYS  11   4.532  11.936   7.385
   63    H    GLN  12           HN       GLN  12   3.150   5.498   2.144
   64    HA   GLN  12           HA       GLN  12   2.115   6.689  -0.347
   65   1HB   GLN  12           HB2      GLN  12   4.122   4.501   0.230
   66   2HB   GLN  12           HB1      GLN  12   3.632   4.942  -1.406
   67   1HG   GLN  12           HG2      GLN  12   4.193   7.389  -0.193
   68   2HG   GLN  12           HG1      GLN  12   5.458   6.316   0.409
   69   1HE2  GLN  12          HE22      GLN  12   7.221   6.545  -2.618
   70   2HE2  GLN  12          HE21      GLN  12   7.261   6.386  -0.929
   71    H    CYS  13           HN       CYS  13   1.945   3.559   1.356
   72    HA   CYS  13           HA       CYS  13   0.190   2.407  -0.676
   73   1HB   CYS  13           HB2      CYS  13   1.143   1.526   2.046
   74   2HB   CYS  13           HB1      CYS  13  -0.122   0.638   1.198
   75    H    TYR  14           HN       TYR  14  -0.280   4.660   1.765
   76    HA   TYR  14           HA       TYR  14  -2.857   3.804   2.714
   77   1HB   TYR  14           HB2      TYR  14  -1.087   6.145   3.021
   78   2HB   TYR  14           HB1      TYR  14  -2.806   6.494   3.163
   79    HD1  TYR  14           HD1      TYR  14  -3.897   4.057   4.360
   80    HD2  TYR  14           HD2      TYR  14  -0.206   6.097   5.177
   81    HE1  TYR  14           HE1      TYR  14  -3.866   3.088   6.643
   82    HE2  TYR  14           HE2      TYR  14  -0.175   5.129   7.460
   83    HH   TYR  14           HH       TYR  14  -2.624   3.994   9.009
   84    HA   PRO  15           HA       PRO  15  -4.474   6.950  -0.502
   85   1HB   PRO  15           HB2      PRO  15  -2.602   7.991  -2.241
   86   2HB   PRO  15           HB1      PRO  15  -3.137   8.790  -0.751
   87   1HG   PRO  15           HG2      PRO  15  -0.552   7.448  -1.339
   88   2HG   PRO  15           HG1      PRO  15  -0.941   8.638  -0.094
   89   1HD   PRO  15           HD2      PRO  15  -0.641   5.844   0.324
   90   2HD   PRO  15           HD1      PRO  15  -1.271   7.032   1.478
   91    H    HIS  16           HN       HIS  16  -1.669   5.163  -1.817
   92    HA   HIS  16           HA       HIS  16  -2.775   4.606  -4.370
   93   1HB   HIS  16           HB2      HIS  16  -0.407   4.175  -3.799
   94   2HB   HIS  16           HB1      HIS  16  -0.908   2.877  -2.715
   95    HD1  HIS  16           HD1      HIS  16  -2.365   3.565  -6.148
   96    HD2  HIS  16           HD2      HIS  16  -0.040   0.687  -4.226
   97    HE1  HIS  16           HE1      HIS  16  -2.117   1.640  -7.776
   98    H    CYS  17           HN       CYS  17  -3.006   2.800  -1.299
   99    HA   CYS  17           HA       CYS  17  -4.711   0.750  -2.492
  100   1HB   CYS  17           HB2      CYS  17  -3.951   1.405   0.364
  101   2HB   CYS  17           HB1      CYS  17  -5.036   0.082  -0.059
  102    H    LYS  18           HN       LYS  18  -5.164   3.863  -1.055
  103    HA   LYS  18           HA       LYS  18  -7.816   3.597  -0.070
  104   1HB   LYS  18           HB2      LYS  18  -6.464   5.581   0.394
  105   2HB   LYS  18           HB1      LYS  18  -6.450   5.998  -1.320
  106   1HG   LYS  18           HG2      LYS  18  -8.969   6.107  -1.231
  107   2HG   LYS  18           HG1      LYS  18  -8.856   5.918   0.519
  108   1HD   LYS  18           HD2      LYS  18  -7.017   7.960  -0.269
  109   2HD   LYS  18           HD1      LYS  18  -8.578   8.313  -1.009
  110   1HE   LYS  18           HE2      LYS  18  -9.037   7.425   1.674
  111   2HE   LYS  18           HE1      LYS  18  -7.805   8.686   1.710
  112   1HZ   LYS  18           HZ3      LYS  18  -9.263  10.084   0.372
  113   2HZ   LYS  18           HZ2      LYS  18 -10.456   8.873   0.384
  114   3HZ   LYS  18           HZ1      LYS  18 -10.006   9.641   1.832
  115    H    LYS  19           HN       LYS  19  -6.572   3.777  -3.315
  116    HA   LYS  19           HA       LYS  19  -9.364   4.039  -4.350
  117   1HB   LYS  19           HB2      LYS  19  -8.248   4.628  -6.524
  118   2HB   LYS  19           HB1      LYS  19  -7.908   5.773  -5.227
  119   1HG   LYS  19           HG2      LYS  19  -5.956   3.696  -5.084
  120   2HG   LYS  19           HG1      LYS  19  -6.045   4.239  -6.760
  121   1HD   LYS  19           HD2      LYS  19  -6.069   6.379  -4.704
  122   2HD   LYS  19           HD1      LYS  19  -4.553   5.495  -4.881
  123   1HE   LYS  19           HE2      LYS  19  -5.599   6.062  -7.493
  124   2HE   LYS  19           HE1      LYS  19  -5.569   7.557  -6.556
  125   1HZ   LYS  19           HZ1      LYS  19  -3.211   6.351  -5.941
  126   2HZ   LYS  19           HZ3      LYS  19  -3.391   6.010  -7.593
  127   3HZ   LYS  19           HZ2      LYS  19  -3.415   7.620  -7.051
  128    H    GLU  20           HN       GLU  20  -6.477   2.047  -4.324
  129    HA   GLU  20           HA       GLU  20  -7.204   0.279  -6.447
  130   1HB   GLU  20           HB2      GLU  20  -5.449  -0.048  -4.011
  131   2HB   GLU  20           HB1      GLU  20  -5.681  -1.351  -5.176
  132   1HG   GLU  20           HG2      GLU  20  -5.008   1.313  -6.306
  133   2HG   GLU  20           HG1      GLU  20  -3.722   0.495  -5.419
  134    H    THR  21           HN       THR  21  -7.922   0.247  -2.968
  135    HA   THR  21           HA       THR  21 -10.056  -1.752  -3.548
  136    HB   THR  21           HB       THR  21  -8.323  -3.085  -2.565
  137    HG1  THR  21           HG1      THR  21  -9.758  -2.442  -0.262
  138   1HG2  THR  21          HG23      THR  21  -7.991  -0.695  -0.779
  139   2HG2  THR  21          HG22      THR  21  -7.505  -2.288  -0.196
  140   3HG2  THR  21          HG21      THR  21  -6.764  -1.618  -1.649
  141    H    GLY  22           HN       GLY  22  -9.993   1.210  -3.069
  142   1HA   GLY  22           HA2      GLY  22 -11.472   2.705  -2.024
  143   2HA   GLY  22           HA1      GLY  22 -12.235   1.317  -1.251
  144    H    TYR  23           HN       TYR  23 -11.205   0.449   0.704
  145    HA   TYR  23           HA       TYR  23 -10.475   2.401   2.592
  146   1HB   TYR  23           HB2      TYR  23 -10.258  -0.565   2.437
  147   2HB   TYR  23           HB1      TYR  23  -9.278   0.241   3.662
  148    HD1  TYR  23           HD2      TYR  23 -12.752  -0.137   2.376
  149    HD2  TYR  23           HD1      TYR  23 -10.258   1.156   5.625
  150    HE1  TYR  23           HE2      TYR  23 -14.758   0.138   3.808
  151    HE2  TYR  23           HE1      TYR  23 -12.264   1.432   7.057
  152    HH   TYR  23           HH       TYR  23 -14.529   0.670   7.208
  153    HA   PRO  24           HA       PRO  24  -6.281   3.219   1.427
  154   1HB   PRO  24           HB2      PRO  24  -5.637   4.726   3.631
  155   2HB   PRO  24           HB1      PRO  24  -6.615   5.336   2.285
  156   1HG   PRO  24           HG2      PRO  24  -7.484   4.532   5.021
  157   2HG   PRO  24           HG1      PRO  24  -8.233   5.678   3.896
  158   1HD   PRO  24           HD2      PRO  24  -9.089   3.018   4.380
  159   2HD   PRO  24           HD1      PRO  24  -9.626   4.066   3.050
  160    H    ASN  25           HN       ASN  25  -7.255   1.638   4.373
  161    HA   ASN  25           HA       ASN  25  -4.899   1.122   5.737
  162   1HB   ASN  25           HB2      ASN  25  -7.365  -0.473   5.220
  163   2HB   ASN  25           HB1      ASN  25  -5.974  -1.340   5.874
  164   1HD2  ASN  25          HD22      ASN  25  -8.166   0.565   8.493
  165   2HD2  ASN  25          HD21      ASN  25  -8.690  -0.144   7.042
  166    H    ALA  26           HN       ALA  26  -3.044  -0.033   5.344
  167    HA   ALA  26           HA       ALA  26  -2.788  -2.200   3.511
  168   1HB   ALA  26           HB1      ALA  26  -2.167   0.551   2.427
  169   2HB   ALA  26           HB3      ALA  26  -1.389  -0.895   1.784
  170   3HB   ALA  26           HB2      ALA  26  -3.142  -0.720   1.689
  171    H    LYS  27           HN       LYS  27  -0.268  -2.358   2.877
  172    HA   LYS  27           HA       LYS  27   1.415  -1.149   4.997
  173   1HB   LYS  27           HB2      LYS  27   0.895  -4.096   4.628
  174   2HB   LYS  27           HB1      LYS  27   2.421  -3.530   5.311
  175   1HG   LYS  27           HG2      LYS  27   1.155  -2.252   7.027
  176   2HG   LYS  27           HG1      LYS  27  -0.349  -2.904   6.374
  177   1HD   LYS  27           HD2      LYS  27   0.278  -4.272   8.262
  178   2HD   LYS  27           HD1      LYS  27   0.565  -5.217   6.800
  179   1HE   LYS  27           HE2      LYS  27   2.769  -5.362   7.241
  180   2HE   LYS  27           HE1      LYS  27   2.892  -3.618   7.467
  181   1HZ   LYS  27           HZ2      LYS  27   1.745  -5.392   9.538
  182   2HZ   LYS  27           HZ1      LYS  27   3.410  -5.064   9.455
  183   3HZ   LYS  27           HZ3      LYS  27   2.310  -3.799   9.710
  184    H    CYS  28           HN       CYS  28   3.797  -2.350   4.515
  185    HA   CYS  28           HA       CYS  28   4.160  -2.137   1.554
  186   1HB   CYS  28           HB2      CYS  28   5.662  -0.776   3.778
  187   2HB   CYS  28           HB1      CYS  28   6.460  -1.109   2.241
  188    H    MET  29           HN       MET  29   4.963  -4.015   0.803
  189    HA   MET  29           HA       MET  29   6.389  -5.847   2.636
  190   1HB   MET  29           HB2      MET  29   5.313  -6.090  -0.180
  191   2HB   MET  29           HB1      MET  29   6.342  -7.333   0.528
  192   1HG   MET  29           HG2      MET  29   4.659  -7.208   2.534
  193   2HG   MET  29           HG1      MET  29   3.580  -6.480   1.345
  194   1HE   MET  29           HE1      MET  29   5.591  -9.518   2.499
  195   2HE   MET  29           HE3      MET  29   5.506 -10.648   1.140
  196   3HE   MET  29           HE2      MET  29   6.416  -9.147   0.987
  197    H    ASN  30           HN       ASN  30   8.145  -7.088   0.827
  198    HA   ASN  30           HA       ASN  30  10.457  -5.502   0.975
  199   1HB   ASN  30           HB2      ASN  30  11.406  -7.023  -0.754
  200   2HB   ASN  30           HB1      ASN  30  10.550  -7.909   0.509
  201   1HD2  ASN  30          HD21      ASN  30  10.784  -9.289  -1.839
  202   2HD2  ASN  30          HD22      ASN  30   9.321  -9.294  -2.701
  203    H    ARG  31           HN       ARG  31   9.951  -3.359   0.258
  204    HA   ARG  31           HA       ARG  31   9.717  -1.637  -1.321
  205   1HB   ARG  31           HB2      ARG  31  11.802  -3.102  -2.103
  206   2HB   ARG  31           HB1      ARG  31  10.738  -3.459  -3.464
  207   1HG   ARG  31           HG2      ARG  31  11.542  -1.517  -4.329
  208   2HG   ARG  31           HG1      ARG  31  10.413  -0.747  -3.212
  209   1HD   ARG  31           HD2      ARG  31  12.110   0.128  -2.019
  210   2HD   ARG  31           HD1      ARG  31  12.844  -1.462  -1.821
  211    HE   ARG  31           HE       ARG  31  13.508  -0.749  -4.414
  212   1HH1  ARG  31          HH21      ARG  31  13.218   1.918  -2.652
  213   2HH1  ARG  31          HH22      ARG  31  14.903   2.256  -2.430
  214   1HH2  ARG  31          HH11      ARG  31  15.944  -0.855  -3.555
  215   2HH2  ARG  31          HH12      ARG  31  16.446   0.685  -2.942
  216    H    LYS  32           HN       LYS  32   7.461  -3.464  -0.952
  217    HA   LYS  32           HA       LYS  32   6.197  -3.132  -3.641
  218   1HB   LYS  32           HB2      LYS  32   6.385  -5.540  -1.918
  219   2HB   LYS  32           HB1      LYS  32   4.793  -5.217  -2.607
  220   1HG   LYS  32           HG2      LYS  32   5.499  -5.572  -4.763
  221   2HG   LYS  32           HG1      LYS  32   7.122  -4.960  -4.443
  222   1HD   LYS  32           HD2      LYS  32   7.905  -7.031  -4.017
  223   2HD   LYS  32           HD1      LYS  32   6.580  -7.366  -2.901
  224   1HE   LYS  32           HE2      LYS  32   5.753  -8.783  -4.444
  225   2HE   LYS  32           HE1      LYS  32   5.398  -7.376  -5.446
  226   1HZ   LYS  32           HZ1      LYS  32   8.049  -8.696  -5.414
  227   2HZ   LYS  32           HZ3      LYS  32   6.820  -9.140  -6.494
  228   3HZ   LYS  32           HZ2      LYS  32   7.459  -7.567  -6.536
  229    H    CYS  33           HN       CYS  33   3.704  -3.197  -3.373
  230    HA   CYS  33           HA       CYS  33   2.956  -1.839  -0.811
  231   1HB   CYS  33           HB2      CYS  33   3.104  -0.298  -2.814
  232   2HB   CYS  33           HB1      CYS  33   1.796  -1.228  -3.543
  233    H    LYS  34           HN       LYS  34   1.564  -3.150   0.267
  234    HA   LYS  34           HA       LYS  34  -0.268  -4.880  -1.343
  235   1HB   LYS  34           HB2      LYS  34   1.099  -5.198   1.291
  236   2HB   LYS  34           HB1      LYS  34  -0.505  -5.914   1.122
  237   1HG   LYS  34           HG2      LYS  34   1.866  -6.407  -0.705
  238   2HG   LYS  34           HG1      LYS  34   1.213  -7.544   0.477
  239   1HD   LYS  34           HD2      LYS  34  -1.033  -6.888  -0.960
  240   2HD   LYS  34           HD1      LYS  34   0.214  -6.846  -2.206
  241   1HE   LYS  34           HE2      LYS  34   0.301  -9.144  -0.319
  242   2HE   LYS  34           HE1      LYS  34  -1.026  -9.126  -1.481
  243   1HZ   LYS  34           HZ2      LYS  34   1.258  -8.396  -2.869
  244   2HZ   LYS  34           HZ1      LYS  34   1.698  -9.731  -1.915
  245   3HZ   LYS  34           HZ3      LYS  34   0.396  -9.855  -2.994
  246    H    CYS  35           HN       CYS  35  -2.486  -4.708  -1.024
  247    HA   CYS  35           HA       CYS  35  -3.355  -2.477   0.764
  248   1HB   CYS  35           HB2      CYS  35  -4.780  -3.719  -1.610
  249   2HB   CYS  35           HB1      CYS  35  -5.356  -2.346  -0.664
  250    H    PHE  36           HN       PHE  36  -5.556  -2.815   1.766
  251    HA   PHE  36           HA       PHE  36  -6.282  -5.658   2.184
  252   1HB   PHE  36           HB2      PHE  36  -5.313  -3.763   4.319
  253   2HB   PHE  36           HB1      PHE  36  -6.374  -5.117   4.710
  254    HD1  PHE  36           HD1      PHE  36  -5.614  -7.414   3.453
  255    HD2  PHE  36           HD2      PHE  36  -3.034  -4.154   4.535
  256    HE1  PHE  36           HE1      PHE  36  -3.665  -8.948   3.428
  257    HE2  PHE  36           HE2      PHE  36  -1.086  -5.688   4.511
  258    HZ   PHE  36           HZ       PHE  36  -1.401  -8.085   3.957
  259    H    GLY  37           HN       GLY  37  -8.114  -4.710   0.881
  260   1HA   GLY  37           HA2      GLY  37  -9.800  -2.648   1.881
  261   2HA   GLY  37           HA1      GLY  37 -10.310  -3.906   0.757
  262    H    ARG  38           HN       ARG  38  -9.240  -5.792   3.069
  263    HA   ARG  38           HA       ARG  38 -11.657  -6.731   4.039
  264   1HB   ARG  38           HB2      ARG  38  -8.866  -6.855   4.932
  265   2HB   ARG  38           HB1      ARG  38 -10.022  -7.011   6.254
  266   1HG   ARG  38           HG2      ARG  38 -11.157  -8.836   5.116
  267   2HG   ARG  38           HG1      ARG  38 -10.136  -8.626   3.692
  268   1HD   ARG  38           HD2      ARG  38  -9.216 -10.462   4.944
  269   2HD   ARG  38           HD1      ARG  38  -8.138  -9.087   5.181
  270    HE   ARG  38           HE       ARG  38  -8.916  -8.911   7.448
  271   1HH1  ARG  38          HH11      ARG  38 -11.795  -9.513   7.097
  272   2HH1  ARG  38          HH12      ARG  38 -11.944 -11.088   7.803
  273   1HH2  ARG  38          HH21      ARG  38  -8.540 -11.742   7.714
  274   2HH2  ARG  38          HH22      ARG  38 -10.102 -12.352   8.146
   
  No H/Q in entry =         274
  Start of MODEL    3
    1   1H    THR   4           HT1      THR   4   5.047  -2.775  -9.907
    2   2H    THR   4           HT3      THR   4   5.029  -4.028  -8.765
    3   3H    THR   4           HT2      THR   4   3.776  -3.903  -9.905
    4    HA   THR   4           HA       THR   4   2.692  -2.300  -8.784
    5    HB   THR   4           HB       THR   4   2.736  -2.741  -6.451
    6    HG1  THR   4           HG1      THR   4   5.244  -3.940  -6.502
    7   1HG2  THR   4          HG21      THR   4   3.225  -4.907  -8.316
    8   2HG2  THR   4          HG23      THR   4   3.817  -5.318  -6.707
    9   3HG2  THR   4          HG22      THR   4   2.131  -4.854  -6.934
   10    H    ILE   5           HN       ILE   5   3.600  -0.903  -6.377
   11    HA   ILE   5           HA       ILE   5   5.497   1.024  -7.663
   12    HB   ILE   5           HB       ILE   5   3.595   1.798  -5.463
   13   1HG1  ILE   5          HG12      ILE   5   2.870   2.017  -8.387
   14   2HG1  ILE   5          HG11      ILE   5   2.394   0.612  -7.433
   15   1HG2  ILE   5          HG23      ILE   5   5.154   3.147  -7.650
   16   2HG2  ILE   5          HG22      ILE   5   3.727   3.937  -6.979
   17   3HG2  ILE   5          HG21      ILE   5   5.087   3.534  -5.930
   18   1HD1  ILE   5          HD12      ILE   5   1.400   2.245  -5.749
   19   2HD1  ILE   5          HD11      ILE   5   1.646   3.506  -6.956
   20   3HD1  ILE   5          HD13      ILE   5   0.566   2.154  -7.300
   21    H    SER   6           HN       SER   6   6.754   2.317  -5.983
   22    HA   SER   6           HA       SER   6   7.745   0.440  -3.903
   23   1HB   SER   6           HB2      SER   6   9.405   2.601  -3.775
   24   2HB   SER   6           HB1      SER   6   9.672   1.226  -4.844
   25    HG   SER   6           HG       SER   6   8.966   3.803  -5.420
   26    H    CYS   7           HN       CYS   7   8.369   1.584  -1.754
   27    HA   CYS   7           HA       CYS   7   7.180   4.018  -0.938
   28   1HB   CYS   7           HB2      CYS   7   5.209   3.071   0.350
   29   2HB   CYS   7           HB1      CYS   7   5.017   3.079  -1.403
   30    H    THR   8           HN       THR   8   8.923   4.227   0.460
   31    HA   THR   8           HA       THR   8   9.869   2.114   2.174
   32    HB   THR   8           HB       THR   8  11.223   3.815   3.228
   33    HG1  THR   8           HG1      THR   8  10.140   5.953   1.905
   34   1HG2  THR   8          HG23      THR   8  11.404   3.233   0.629
   35   2HG2  THR   8          HG22      THR   8  11.034   4.950   0.474
   36   3HG2  THR   8          HG21      THR   8  12.456   4.433   1.381
   37    H    ASN   9           HN       ASN   9   7.097   4.063   2.272
   38    HA   ASN   9           HA       ASN   9   6.538   3.140   5.036
   39   1HB   ASN   9           HB2      ASN   9   5.385   5.600   5.140
   40   2HB   ASN   9           HB1      ASN   9   6.996   5.258   5.769
   41   1HD2  ASN   9          HD22      ASN   9   6.698   7.190   2.140
   42   2HD2  ASN   9          HD21      ASN   9   5.442   6.159   2.630
   43    HA   PRO  10           HA       PRO  10   2.505   2.451   3.449
   44   1HB   PRO  10           HB2      PRO  10   0.971   2.999   5.656
   45   2HB   PRO  10           HB1      PRO  10   1.962   1.538   5.493
   46   1HG   PRO  10           HG2      PRO  10   2.431   3.956   7.167
   47   2HG   PRO  10           HG1      PRO  10   3.020   2.302   7.398
   48   1HD   PRO  10           HD2      PRO  10   4.518   4.477   6.367
   49   2HD   PRO  10           HD1      PRO  10   4.989   2.765   6.324
   50    H    LYS  11           HN       LYS  11   3.104   5.559   4.933
   51    HA   LYS  11           HA       LYS  11   0.739   6.965   4.549
   52   1HB   LYS  11           HB2      LYS  11   3.546   7.619   4.795
   53   2HB   LYS  11           HB1      LYS  11   2.755   8.714   3.662
   54   1HG   LYS  11           HG2      LYS  11   1.003   9.186   5.334
   55   2HG   LYS  11           HG1      LYS  11   1.794   8.094   6.470
   56   1HD   LYS  11           HD2      LYS  11   3.877   9.719   5.738
   57   2HD   LYS  11           HD1      LYS  11   2.520  10.846   5.694
   58   1HE   LYS  11           HE2      LYS  11   2.379   9.125   8.032
   59   2HE   LYS  11           HE1      LYS  11   3.908  10.002   7.976
   60   1HZ   LYS  11           HZ3      LYS  11   1.728  11.674   7.246
   61   2HZ   LYS  11           HZ2      LYS  11   1.476  10.990   8.780
   62   3HZ   LYS  11           HZ1      LYS  11   2.883  11.889   8.470
   63    H    GLN  12           HN       GLN  12   3.009   5.894   2.084
   64    HA   GLN  12           HA       GLN  12   1.681   7.495  -0.003
   65   1HB   GLN  12           HB2      GLN  12   4.173   6.084   0.273
   66   2HB   GLN  12           HB1      GLN  12   3.339   5.514  -1.174
   67   1HG   GLN  12           HG2      GLN  12   2.921   8.043  -1.645
   68   2HG   GLN  12           HG1      GLN  12   4.228   8.310  -0.491
   69   1HE2  GLN  12          HE22      GLN  12   6.722   7.522  -2.841
   70   2HE2  GLN  12          HE21      GLN  12   6.311   8.241  -1.360
   71    H    CYS  13           HN       CYS  13   1.813   4.102   1.026
   72    HA   CYS  13           HA       CYS  13   0.078   3.234  -1.167
   73   1HB   CYS  13           HB2      CYS  13   1.240   1.902   1.276
   74   2HB   CYS  13           HB1      CYS  13   0.016   1.094   0.297
   75    H    TYR  14           HN       TYR  14  -0.465   4.910   1.673
   76    HA   TYR  14           HA       TYR  14  -2.888   3.640   2.556
   77   1HB   TYR  14           HB2      TYR  14  -1.334   6.053   3.210
   78   2HB   TYR  14           HB1      TYR  14  -3.071   6.231   3.431
   79    HD1  TYR  14           HD1      TYR  14  -4.084   3.764   4.364
   80    HD2  TYR  14           HD2      TYR  14  -0.250   5.515   5.190
   81    HE1  TYR  14           HE1      TYR  14  -3.934   2.447   6.460
   82    HE2  TYR  14           HE2      TYR  14  -0.099   4.200   7.286
   83    HH   TYR  14           HH       TYR  14  -1.663   3.099   8.883
   84    HA   PRO  15           HA       PRO  15  -4.956   7.056  -0.059
   85   1HB   PRO  15           HB2      PRO  15  -3.274   8.528  -1.680
   86   2HB   PRO  15           HB1      PRO  15  -3.814   9.042  -0.070
   87   1HG   PRO  15           HG2      PRO  15  -1.142   8.089  -0.935
   88   2HG   PRO  15           HG1      PRO  15  -1.593   9.011   0.502
   89   1HD   PRO  15           HD2      PRO  15  -1.004   6.227   0.421
   90   2HD   PRO  15           HD1      PRO  15  -1.656   7.138   1.792
   91    H    HIS  16           HN       HIS  16  -2.045   5.779  -1.704
   92    HA   HIS  16           HA       HIS  16  -3.154   5.463  -4.283
   93   1HB   HIS  16           HB2      HIS  16  -0.793   5.080  -3.956
   94   2HB   HIS  16           HB1      HIS  16  -1.108   3.784  -2.804
   95    HD1  HIS  16           HD1      HIS  16  -2.799   4.284  -6.169
   96    HD2  HIS  16           HD2      HIS  16  -0.248   1.582  -4.281
   97    HE1  HIS  16           HE1      HIS  16  -2.541   2.320  -7.748
   98    H    CYS  17           HN       CYS  17  -3.410   3.414  -1.405
   99    HA   CYS  17           HA       CYS  17  -4.952   1.374  -2.857
  100   1HB   CYS  17           HB2      CYS  17  -4.251   1.726   0.071
  101   2HB   CYS  17           HB1      CYS  17  -5.210   0.380  -0.546
  102    H    LYS  18           HN       LYS  18  -5.562   4.184  -0.863
  103    HA   LYS  18           HA       LYS  18  -8.138   3.746   0.093
  104   1HB   LYS  18           HB2      LYS  18  -6.973   5.833   0.539
  105   2HB   LYS  18           HB1      LYS  18  -7.015   6.264  -1.171
  106   1HG   LYS  18           HG2      LYS  18  -9.366   6.581  -1.148
  107   2HG   LYS  18           HG1      LYS  18  -9.546   5.730   0.387
  108   1HD   LYS  18           HD2      LYS  18  -9.571   7.824   1.279
  109   2HD   LYS  18           HD1      LYS  18  -7.818   7.723   1.098
  110   1HE   LYS  18           HE2      LYS  18  -9.290   8.570  -1.329
  111   2HE   LYS  18           HE1      LYS  18  -9.330   9.713   0.014
  112   1HZ   LYS  18           HZ1      LYS  18  -6.876   9.466   0.145
  113   2HZ   LYS  18           HZ3      LYS  18  -6.928   8.561  -1.289
  114   3HZ   LYS  18           HZ2      LYS  18  -7.423  10.186  -1.293
  115    H    LYS  19           HN       LYS  19  -7.115   4.160  -3.222
  116    HA   LYS  19           HA       LYS  19  -9.971   4.231  -4.088
  117   1HB   LYS  19           HB2      LYS  19  -7.604   4.584  -5.919
  118   2HB   LYS  19           HB1      LYS  19  -9.253   5.179  -6.120
  119   1HG   LYS  19           HG2      LYS  19  -8.546   6.376  -3.766
  120   2HG   LYS  19           HG1      LYS  19  -6.999   6.350  -4.613
  121   1HD   LYS  19           HD2      LYS  19  -9.596   7.446  -5.735
  122   2HD   LYS  19           HD1      LYS  19  -8.258   8.417  -5.120
  123   1HE   LYS  19           HE2      LYS  19  -6.872   7.891  -6.911
  124   2HE   LYS  19           HE1      LYS  19  -7.712   6.377  -7.250
  125   1HZ   LYS  19           HZ1      LYS  19  -9.659   7.769  -7.913
  126   2HZ   LYS  19           HZ3      LYS  19  -8.653   9.131  -7.812
  127   3HZ   LYS  19           HZ2      LYS  19  -8.309   7.904  -8.936
  128    H    GLU  20           HN       GLU  20  -7.050   2.310  -4.158
  129    HA   GLU  20           HA       GLU  20  -7.709   0.526  -6.266
  130   1HB   GLU  20           HB2      GLU  20  -6.101   0.175  -3.731
  131   2HB   GLU  20           HB1      GLU  20  -6.268  -1.114  -4.923
  132   1HG   GLU  20           HG2      GLU  20  -5.345   1.663  -5.676
  133   2HG   GLU  20           HG1      GLU  20  -4.219   0.399  -5.182
  134    H    THR  21           HN       THR  21  -8.333   0.227  -2.758
  135    HA   THR  21           HA       THR  21 -10.672  -1.497  -3.443
  136    HB   THR  21           HB       THR  21  -8.989  -3.060  -2.731
  137    HG1  THR  21           HG1      THR  21 -11.172  -2.957  -1.638
  138   1HG2  THR  21          HG22      THR  21  -8.211  -0.830  -1.020
  139   2HG2  THR  21          HG21      THR  21  -8.270  -2.356  -0.137
  140   3HG2  THR  21          HG23      THR  21  -7.254  -2.206  -1.571
  141    H    GLY  22           HN       GLY  22 -10.748   1.270  -2.851
  142   1HA   GLY  22           HA2      GLY  22 -11.985   2.731  -1.500
  143   2HA   GLY  22           HA1      GLY  22 -12.649   1.304  -0.709
  144    H    TYR  23           HN       TYR  23 -11.480   0.401   1.102
  145    HA   TYR  23           HA       TYR  23 -10.469   2.213   2.965
  146   1HB   TYR  23           HB2      TYR  23 -10.311  -0.731   2.607
  147   2HB   TYR  23           HB1      TYR  23  -9.145  -0.017   3.722
  148    HD1  TYR  23           HD1      TYR  23 -12.788   0.313   2.860
  149    HD2  TYR  23           HD2      TYR  23  -9.801   0.192   5.942
  150    HE1  TYR  23           HE1      TYR  23 -14.560   0.510   4.583
  151    HE2  TYR  23           HE2      TYR  23 -11.572   0.389   7.667
  152    HH   TYR  23           HH       TYR  23 -13.779   0.984   7.972
  153    HA   PRO  24           HA       PRO  24  -6.443   3.105   1.326
  154   1HB   PRO  24           HB2      PRO  24  -5.556   4.549   3.490
  155   2HB   PRO  24           HB1      PRO  24  -6.674   5.196   2.278
  156   1HG   PRO  24           HG2      PRO  24  -7.239   4.311   5.068
  157   2HG   PRO  24           HG1      PRO  24  -8.107   5.486   4.067
  158   1HD   PRO  24           HD2      PRO  24  -8.908   2.814   4.567
  159   2HD   PRO  24           HD1      PRO  24  -9.585   3.897   3.332
  160    H    ASN  25           HN       ASN  25  -7.165   1.117   3.967
  161    HA   ASN  25           HA       ASN  25  -4.810   0.641   5.345
  162   1HB   ASN  25           HB2      ASN  25  -7.170  -0.630   5.272
  163   2HB   ASN  25           HB1      ASN  25  -6.225  -1.775   4.318
  164   1HD2  ASN  25          HD22      ASN  25  -5.310  -1.245   8.288
  165   2HD2  ASN  25          HD21      ASN  25  -6.236  -0.072   7.479
  166    H    ALA  26           HN       ALA  26  -2.785   0.444   4.526
  167    HA   ALA  26           HA       ALA  26  -2.342  -1.505   2.335
  168   1HB   ALA  26           HB3      ALA  26  -2.514   1.144   1.706
  169   2HB   ALA  26           HB2      ALA  26  -0.793   1.002   2.062
  170   3HB   ALA  26           HB1      ALA  26  -1.521  -0.012   0.817
  171    H    LYS  27           HN       LYS  27  -0.031  -2.131   2.196
  172    HA   LYS  27           HA       LYS  27   1.660  -1.282   4.475
  173   1HB   LYS  27           HB2      LYS  27   0.848  -4.158   3.958
  174   2HB   LYS  27           HB1      LYS  27   2.093  -3.656   5.100
  175   1HG   LYS  27           HG2      LYS  27   0.124  -2.079   5.980
  176   2HG   LYS  27           HG1      LYS  27  -0.872  -3.353   5.275
  177   1HD   LYS  27           HD2      LYS  27  -0.417  -3.868   7.625
  178   2HD   LYS  27           HD1      LYS  27   0.398  -5.040   6.588
  179   1HE   LYS  27           HE2      LYS  27   2.491  -4.255   7.111
  180   2HE   LYS  27           HE1      LYS  27   1.935  -2.591   7.294
  181   1HZ   LYS  27           HZ2      LYS  27   1.345  -4.780   9.211
  182   2HZ   LYS  27           HZ1      LYS  27   2.591  -3.641   9.407
  183   3HZ   LYS  27           HZ3      LYS  27   0.972  -3.132   9.401
  184    H    CYS  28           HN       CYS  28   3.840  -1.379   3.970
  185    HA   CYS  28           HA       CYS  28   4.504  -2.404   1.242
  186   1HB   CYS  28           HB2      CYS  28   5.923  -0.348   2.968
  187   2HB   CYS  28           HB1      CYS  28   6.458  -0.872   1.371
  188    H    MET  29           HN       MET  29   5.802  -4.191   1.154
  189    HA   MET  29           HA       MET  29   7.456  -4.810   3.568
  190   1HB   MET  29           HB2      MET  29   6.000  -6.825   1.830
  191   2HB   MET  29           HB1      MET  29   6.951  -7.178   3.273
  192   1HG   MET  29           HG2      MET  29   4.901  -5.147   3.753
  193   2HG   MET  29           HG1      MET  29   4.220  -6.684   3.221
  194   1HE   MET  29           HE3      MET  29   3.500  -8.224   4.586
  195   2HE   MET  29           HE2      MET  29   5.015  -9.115   4.460
  196   3HE   MET  29           HE1      MET  29   4.254  -8.904   6.035
  197    H    ASN  30           HN       ASN  30   9.572  -5.069   3.099
  198    HA   ASN  30           HA       ASN  30  11.510  -5.024   1.744
  199   1HB   ASN  30           HB2      ASN  30  11.603  -7.136   0.297
  200   2HB   ASN  30           HB1      ASN  30  11.323  -7.380   2.022
  201   1HD2  ASN  30          HD22      ASN  30   8.033  -8.639   1.587
  202   2HD2  ASN  30          HD21      ASN  30   9.184  -8.079   2.702
  203    H    ARG  31           HN       ARG  31   9.922  -3.102   0.714
  204    HA   ARG  31           HA       ARG  31   9.575  -1.880  -1.259
  205   1HB   ARG  31           HB2      ARG  31  11.190  -4.026  -2.652
  206   2HB   ARG  31           HB1      ARG  31  11.002  -2.336  -3.120
  207   1HG   ARG  31           HG2      ARG  31  11.969  -2.250  -0.487
  208   2HG   ARG  31           HG1      ARG  31  12.904  -3.522  -1.275
  209   1HD   ARG  31           HD2      ARG  31  12.493  -1.053  -2.865
  210   2HD   ARG  31           HD1      ARG  31  13.539  -0.892  -1.454
  211    HE   ARG  31           HE       ARG  31  14.385  -3.212  -2.806
  212   1HH1  ARG  31          HH11      ARG  31  15.979  -0.647  -2.218
  213   2HH1  ARG  31          HH12      ARG  31  16.470  -0.203  -3.819
  214   1HH2  ARG  31          HH21      ARG  31  14.187  -2.291  -5.384
  215   2HH2  ARG  31          HH22      ARG  31  15.454  -1.132  -5.612
  216    H    LYS  32           HN       LYS  32   7.525  -3.615  -0.531
  217    HA   LYS  32           HA       LYS  32   6.431  -4.279  -3.204
  218   1HB   LYS  32           HB2      LYS  32   7.448  -6.277  -1.520
  219   2HB   LYS  32           HB1      LYS  32   5.700  -6.338  -1.288
  220   1HG   LYS  32           HG2      LYS  32   5.610  -6.179  -3.902
  221   2HG   LYS  32           HG1      LYS  32   7.282  -6.736  -3.813
  222   1HD   LYS  32           HD2      LYS  32   6.531  -8.668  -2.428
  223   2HD   LYS  32           HD1      LYS  32   4.862  -8.134  -2.634
  224   1HE   LYS  32           HE2      LYS  32   6.769  -8.972  -4.837
  225   2HE   LYS  32           HE1      LYS  32   5.349  -9.860  -4.284
  226   1HZ   LYS  32           HZ2      LYS  32   4.019  -7.864  -4.904
  227   2HZ   LYS  32           HZ1      LYS  32   5.411  -7.224  -5.639
  228   3HZ   LYS  32           HZ3      LYS  32   4.734  -8.667  -6.219
  229    H    CYS  33           HN       CYS  33   4.974  -2.536  -2.899
  230    HA   CYS  33           HA       CYS  33   3.433  -2.104  -0.533
  231   1HB   CYS  33           HB2      CYS  33   3.702  -0.432  -2.362
  232   2HB   CYS  33           HB1      CYS  33   2.685  -1.436  -3.396
  233    H    LYS  34           HN       LYS  34   1.188  -2.646  -0.142
  234    HA   LYS  34           HA       LYS  34  -0.093  -4.643  -1.881
  235   1HB   LYS  34           HB2      LYS  34   1.419  -5.395   0.488
  236   2HB   LYS  34           HB1      LYS  34  -0.275  -5.861   0.636
  237   1HG   LYS  34           HG2      LYS  34   1.336  -6.439  -1.855
  238   2HG   LYS  34           HG1      LYS  34   1.271  -7.562  -0.497
  239   1HD   LYS  34           HD2      LYS  34  -1.384  -6.980  -0.844
  240   2HD   LYS  34           HD1      LYS  34  -0.792  -6.923  -2.504
  241   1HE   LYS  34           HE2      LYS  34   0.461  -9.169  -1.582
  242   2HE   LYS  34           HE1      LYS  34  -1.051  -9.228  -0.676
  243   1HZ   LYS  34           HZ3      LYS  34  -1.668  -8.499  -3.290
  244   2HZ   LYS  34           HZ2      LYS  34  -0.611  -9.826  -3.385
  245   3HZ   LYS  34           HZ1      LYS  34  -2.053  -9.947  -2.495
  246    H    CYS  35           HN       CYS  35  -2.016  -3.538  -2.022
  247    HA   CYS  35           HA       CYS  35  -3.141  -1.935   0.062
  248   1HB   CYS  35           HB2      CYS  35  -4.458  -3.293  -2.308
  249   2HB   CYS  35           HB1      CYS  35  -5.246  -2.090  -1.287
  250    H    PHE  36           HN       PHE  36  -5.284  -2.453   1.143
  251    HA   PHE  36           HA       PHE  36  -5.826  -5.317   1.570
  252   1HB   PHE  36           HB2      PHE  36  -4.586  -3.521   3.635
  253   2HB   PHE  36           HB1      PHE  36  -5.699  -4.792   4.144
  254    HD1  PHE  36           HD1      PHE  36  -5.212  -7.180   3.598
  255    HD2  PHE  36           HD2      PHE  36  -2.384  -4.040   2.823
  256    HE1  PHE  36           HE1      PHE  36  -3.407  -8.863   3.360
  257    HE2  PHE  36           HE2      PHE  36  -0.579  -5.725   2.586
  258    HZ   PHE  36           HZ       PHE  36  -1.092  -8.136   2.855
  259    H    GLY  37           HN       GLY  37  -7.834  -4.481   0.555
  260   1HA   GLY  37           HA2      GLY  37  -9.470  -2.449   1.619
  261   2HA   GLY  37           HA1      GLY  37 -10.088  -3.860   0.758
  262    H    ARG  38           HN       ARG  38  -9.049  -5.798   2.666
  263    HA   ARG  38           HA       ARG  38 -10.442  -5.109   5.170
  264   1HB   ARG  38           HB2      ARG  38 -11.056  -7.784   3.997
  265   2HB   ARG  38           HB1      ARG  38 -12.040  -6.776   5.057
  266   1HG   ARG  38           HG2      ARG  38 -12.541  -5.255   3.221
  267   2HG   ARG  38           HG1      ARG  38 -11.459  -6.145   2.148
  268   1HD   ARG  38           HD2      ARG  38 -14.013  -7.179   3.412
  269   2HD   ARG  38           HD1      ARG  38 -13.737  -6.858   1.700
  270    HE   ARG  38           HE       ARG  38 -11.802  -8.689   2.182
  271   1HH1  ARG  38          HH21      ARG  38 -12.800  -9.941   4.497
  272   2HH1  ARG  38          HH22      ARG  38 -14.031 -11.028   3.947
  273   1HH2  ARG  38          HH11      ARG  38 -14.394  -9.481   0.866
  274   2HH2  ARG  38          HH12      ARG  38 -14.931 -10.770   1.891
   
  No H/Q in entry =         274
  Start of MODEL    4
    1   1H    THR   4           HT1      THR   4   0.585  -1.669  -5.069
    2   2H    THR   4           HT3      THR   4  -0.053  -1.646  -6.640
    3   3H    THR   4           HT2      THR   4  -0.356  -2.972  -5.621
    4    HA   THR   4           HA       THR   4   1.845  -3.727  -5.737
    5    HB   THR   4           HB       THR   4   1.481  -2.721  -8.537
    6    HG1  THR   4           HG1      THR   4  -0.565  -3.211  -8.254
    7   1HG2  THR   4          HG23      THR   4   2.082  -5.432  -7.322
    8   2HG2  THR   4          HG22      THR   4   2.044  -5.070  -9.048
    9   3HG2  THR   4          HG21      THR   4   3.268  -4.329  -8.018
   10    H    ILE   5           HN       ILE   5   1.487  -0.402  -6.159
   11    HA   ILE   5           HA       ILE   5   3.927   0.374  -7.366
   12    HB   ILE   5           HB       ILE   5   2.631   1.824  -5.045
   13   1HG1  ILE   5          HG12      ILE   5   1.874   1.810  -7.987
   14   2HG1  ILE   5          HG11      ILE   5   0.870   1.261  -6.647
   15   1HG2  ILE   5          HG21      ILE   5   4.483   2.527  -7.304
   16   2HG2  ILE   5          HG23      ILE   5   3.413   3.762  -6.644
   17   3HG2  ILE   5          HG22      ILE   5   4.590   2.966  -5.600
   18   1HD1  ILE   5          HD11      ILE   5   0.914   3.557  -5.700
   19   2HD1  ILE   5          HD13      ILE   5   1.851   4.094  -7.093
   20   3HD1  ILE   5          HD12      ILE   5   0.198   3.520  -7.312
   21    H    SER   6           HN       SER   6   5.771   1.457  -6.047
   22    HA   SER   6           HA       SER   6   6.493  -0.393  -3.810
   23   1HB   SER   6           HB2      SER   6   8.222   1.069  -5.820
   24   2HB   SER   6           HB1      SER   6   8.871   0.246  -4.405
   25    HG   SER   6           HG       SER   6   8.224  -0.792  -6.744
   26    H    CYS   7           HN       CYS   7   6.843   0.529  -1.827
   27    HA   CYS   7           HA       CYS   7   7.596   3.379  -1.683
   28   1HB   CYS   7           HB2      CYS   7   5.713   4.145  -0.564
   29   2HB   CYS   7           HB1      CYS   7   4.981   2.984  -1.663
   30    H    THR   8           HN       THR   8   7.821   3.947   0.806
   31    HA   THR   8           HA       THR   8   8.972   1.556   2.187
   32    HB   THR   8           HB       THR   8  10.860   2.803   2.876
   33    HG1  THR   8           HG1      THR   8  10.733   4.861   3.238
   34   1HG2  THR   8          HG22      THR   8  10.238   2.597   0.160
   35   2HG2  THR   8          HG21      THR   8  10.827   4.249   0.352
   36   3HG2  THR   8          HG23      THR   8  11.836   2.889   0.849
   37    H    ASN   9           HN       ASN   9   6.604   3.863   2.273
   38    HA   ASN   9           HA       ASN   9   6.366   3.594   5.227
   39   1HB   ASN   9           HB2      ASN   9   6.456   6.116   3.610
   40   2HB   ASN   9           HB1      ASN   9   5.390   6.053   5.016
   41   1HD2  ASN   9          HD22      ASN   9   8.169   5.599   7.325
   42   2HD2  ASN   9          HD21      ASN   9   6.593   5.030   7.060
   43    HA   PRO  10           HA       PRO  10   2.158   2.758   4.289
   44   1HB   PRO  10           HB2      PRO  10   0.968   3.644   6.602
   45   2HB   PRO  10           HB1      PRO  10   1.914   2.148   6.502
   46   1HG   PRO  10           HG2      PRO  10   2.654   4.760   7.730
   47   2HG   PRO  10           HG1      PRO  10   3.245   3.135   8.110
   48   1HD   PRO  10           HD2      PRO  10   4.611   5.088   6.573
   49   2HD   PRO  10           HD1      PRO  10   5.043   3.370   6.708
   50    H    LYS  11           HN       LYS  11   2.949   6.021   5.369
   51    HA   LYS  11           HA       LYS  11   0.484   7.314   4.864
   52   1HB   LYS  11           HB2      LYS  11   3.334   8.311   4.633
   53   2HB   LYS  11           HB1      LYS  11   1.925   9.364   4.489
   54   1HG   LYS  11           HG2      LYS  11   1.559   7.749   6.812
   55   2HG   LYS  11           HG1      LYS  11   3.191   8.417   6.877
   56   1HD   LYS  11           HD2      LYS  11   2.027  10.658   6.189
   57   2HD   LYS  11           HD1      LYS  11   0.560   9.872   6.774
   58   1HE   LYS  11           HE2      LYS  11   1.163  10.508   8.851
   59   2HE   LYS  11           HE1      LYS  11   2.482   9.342   8.742
   60   1HZ   LYS  11           HZ2      LYS  11   3.302  11.555   7.316
   61   2HZ   LYS  11           HZ1      LYS  11   2.599  12.173   8.733
   62   3HZ   LYS  11           HZ3      LYS  11   3.867  11.052   8.836
   63    H    GLN  12           HN       GLN  12   2.828   6.047   2.610
   64    HA   GLN  12           HA       GLN  12   1.738   7.645   0.374
   65   1HB   GLN  12           HB2      GLN  12   3.717   5.361   0.213
   66   2HB   GLN  12           HB1      GLN  12   3.459   6.650  -0.964
   67   1HG   GLN  12           HG2      GLN  12   4.064   8.238   1.024
   68   2HG   GLN  12           HG1      GLN  12   4.790   6.792   1.729
   69   1HE2  GLN  12          HE22      GLN  12   7.599   8.109  -0.148
   70   2HE2  GLN  12          HE21      GLN  12   6.822   8.275   1.352
   71    H    CYS  13           HN       CYS  13   1.822   4.235   1.418
   72    HA   CYS  13           HA       CYS  13   0.112   3.401  -0.805
   73   1HB   CYS  13           HB2      CYS  13   1.216   2.028   1.644
   74   2HB   CYS  13           HB1      CYS  13   0.020   1.239   0.615
   75    H    TYR  14           HN       TYR  14  -0.468   5.041   2.053
   76    HA   TYR  14           HA       TYR  14  -2.919   3.785   2.873
   77   1HB   TYR  14           HB2      TYR  14  -1.382   6.205   3.552
   78   2HB   TYR  14           HB1      TYR  14  -3.122   6.375   3.739
   79    HD1  TYR  14           HD2      TYR  14  -1.277   3.188   4.059
   80    HD2  TYR  14           HD1      TYR  14  -3.194   6.406   6.161
   81    HE1  TYR  14           HE2      TYR  14  -1.149   1.887   6.165
   82    HE2  TYR  14           HE1      TYR  14  -3.064   5.104   8.270
   83    HH   TYR  14           HH       TYR  14  -1.828   1.775   8.295
   84    HA   PRO  15           HA       PRO  15  -4.929   7.226   0.227
   85   1HB   PRO  15           HB2      PRO  15  -3.209   8.705  -1.345
   86   2HB   PRO  15           HB1      PRO  15  -3.788   9.210   0.255
   87   1HG   PRO  15           HG2      PRO  15  -1.099   8.240  -0.552
   88   2HG   PRO  15           HG1      PRO  15  -1.573   9.181   0.864
   89   1HD   PRO  15           HD2      PRO  15  -0.987   6.405   0.846
   90   2HD   PRO  15           HD1      PRO  15  -1.711   7.328   2.174
   91    H    HIS  16           HN       HIS  16  -1.994   5.936  -1.358
   92    HA   HIS  16           HA       HIS  16  -3.031   5.682  -3.972
   93   1HB   HIS  16           HB2      HIS  16  -0.698   5.255  -3.637
   94   2HB   HIS  16           HB1      HIS  16  -1.030   4.000  -2.444
   95    HD1  HIS  16           HD1      HIS  16  -2.275   4.563  -6.018
   96    HD2  HIS  16           HD2      HIS  16  -0.577   1.574  -3.660
   97    HE1  HIS  16           HE1      HIS  16  -2.115   2.502  -7.480
   98    H    CYS  17           HN       CYS  17  -3.178   3.375  -1.251
   99    HA   CYS  17           HA       CYS  17  -4.688   1.395  -2.703
  100   1HB   CYS  17           HB2      CYS  17  -4.374   1.904   0.270
  101   2HB   CYS  17           HB1      CYS  17  -5.198   0.498  -0.406
  102    H    LYS  18           HN       LYS  18  -5.585   4.180  -0.717
  103    HA   LYS  18           HA       LYS  18  -8.302   3.684  -0.277
  104   1HB   LYS  18           HB2      LYS  18  -7.359   5.662   0.663
  105   2HB   LYS  18           HB1      LYS  18  -6.842   6.253  -0.916
  106   1HG   LYS  18           HG2      LYS  18  -8.930   7.022  -1.465
  107   2HG   LYS  18           HG1      LYS  18  -9.749   5.721  -0.601
  108   1HD   LYS  18           HD2      LYS  18  -8.341   7.290   1.322
  109   2HD   LYS  18           HD1      LYS  18  -9.255   8.391   0.290
  110   1HE   LYS  18           HE2      LYS  18 -11.315   7.319   0.784
  111   2HE   LYS  18           HE1      LYS  18 -10.507   5.904   1.461
  112   1HZ   LYS  18           HZ3      LYS  18  -9.703   8.279   2.794
  113   2HZ   LYS  18           HZ2      LYS  18 -11.393   8.114   2.836
  114   3HZ   LYS  18           HZ1      LYS  18 -10.402   6.874   3.436
  115    H    LYS  19           HN       LYS  19  -6.697   4.256  -3.302
  116    HA   LYS  19           HA       LYS  19  -9.353   4.619  -4.626
  117   1HB   LYS  19           HB2      LYS  19  -7.014   6.061  -4.955
  118   2HB   LYS  19           HB1      LYS  19  -6.972   4.937  -6.314
  119   1HG   LYS  19           HG2      LYS  19  -9.634   5.808  -6.192
  120   2HG   LYS  19           HG1      LYS  19  -8.672   7.260  -5.914
  121   1HD   LYS  19           HD2      LYS  19  -8.910   7.097  -8.282
  122   2HD   LYS  19           HD1      LYS  19  -7.272   6.544  -7.933
  123   1HE   LYS  19           HE2      LYS  19  -8.058   4.199  -7.984
  124   2HE   LYS  19           HE1      LYS  19  -9.686   4.760  -8.361
  125   1HZ   LYS  19           HZ3      LYS  19  -8.294   6.022 -10.233
  126   2HZ   LYS  19           HZ2      LYS  19  -7.327   4.636 -10.051
  127   3HZ   LYS  19           HZ1      LYS  19  -8.969   4.482 -10.460
  128    H    GLU  20           HN       GLU  20  -6.527   2.550  -4.437
  129    HA   GLU  20           HA       GLU  20  -7.148   1.006  -6.795
  130   1HB   GLU  20           HB2      GLU  20  -5.249   0.794  -4.515
  131   2HB   GLU  20           HB1      GLU  20  -5.649  -0.705  -5.355
  132   1HG   GLU  20           HG2      GLU  20  -5.048   1.640  -7.078
  133   2HG   GLU  20           HG1      GLU  20  -3.686   0.958  -6.188
  134    H    THR  21           HN       THR  21  -7.350   0.116  -3.326
  135    HA   THR  21           HA       THR  21  -9.526  -1.788  -4.073
  136    HB   THR  21           HB       THR  21  -7.695  -2.928  -3.004
  137    HG1  THR  21           HG1      THR  21  -9.537  -2.442  -0.921
  138   1HG2  THR  21          HG23      THR  21  -7.768  -0.540  -1.206
  139   2HG2  THR  21          HG22      THR  21  -7.205  -2.073  -0.540
  140   3HG2  THR  21          HG21      THR  21  -6.381  -1.359  -1.926
  141    H    GLY  22           HN       GLY  22  -9.295   1.273  -3.044
  142   1HA   GLY  22           HA2      GLY  22 -11.067   2.603  -2.186
  143   2HA   GLY  22           HA1      GLY  22 -11.871   1.128  -1.661
  144    H    TYR  23           HN       TYR  23 -10.207  -0.103   0.017
  145    HA   TYR  23           HA       TYR  23 -10.223   1.570   2.361
  146   1HB   TYR  23           HB2      TYR  23  -9.071  -1.158   1.759
  147   2HB   TYR  23           HB1      TYR  23  -8.854  -0.389   3.330
  148    HD1  TYR  23           HD2      TYR  23 -11.355   0.973   3.836
  149    HD2  TYR  23           HD1      TYR  23 -10.681  -2.844   1.982
  150    HE1  TYR  23           HE2      TYR  23 -13.629   0.246   4.508
  151    HE2  TYR  23           HE1      TYR  23 -12.955  -3.571   2.655
  152    HH   TYR  23           HH       TYR  23 -14.675  -2.374   4.920
  153    HA   PRO  24           HA       PRO  24  -6.271   3.465   1.740
  154   1HB   PRO  24           HB2      PRO  24  -6.082   4.612   4.229
  155   2HB   PRO  24           HB1      PRO  24  -7.106   5.253   2.933
  156   1HG   PRO  24           HG2      PRO  24  -7.901   3.767   5.391
  157   2HG   PRO  24           HG1      PRO  24  -8.836   4.921   4.427
  158   1HD   PRO  24           HD2      PRO  24  -9.089   2.097   4.354
  159   2HD   PRO  24           HD1      PRO  24  -9.788   3.243   3.190
  160    H    ASN  25           HN       ASN  25  -6.916   1.530   4.652
  161    HA   ASN  25           HA       ASN  25  -4.422   1.233   5.788
  162   1HB   ASN  25           HB2      ASN  25  -5.154  -1.316   5.978
  163   2HB   ASN  25           HB1      ASN  25  -6.014  -0.058   6.864
  164   1HD2  ASN  25          HD22      ASN  25  -9.042  -0.674   5.191
  165   2HD2  ASN  25          HD21      ASN  25  -8.240   0.028   6.512
  166    H    ALA  26           HN       ALA  26  -2.482   0.311   5.228
  167    HA   ALA  26           HA       ALA  26  -2.044  -1.770   3.375
  168   1HB   ALA  26           HB1      ALA  26  -1.934   1.005   2.163
  169   2HB   ALA  26           HB3      ALA  26  -1.155  -0.398   1.433
  170   3HB   ALA  26           HB2      ALA  26  -2.909  -0.360   1.620
  171    H    LYS  27           HN       LYS  27   0.305  -1.975   2.832
  172    HA   LYS  27           HA       LYS  27   2.085  -0.119   4.312
  173   1HB   LYS  27           HB2      LYS  27   1.673  -3.030   4.950
  174   2HB   LYS  27           HB1      LYS  27   3.247  -2.285   5.221
  175   1HG   LYS  27           HG2      LYS  27   2.506  -1.071   6.996
  176   2HG   LYS  27           HG1      LYS  27   0.965  -0.705   6.220
  177   1HD   LYS  27           HD2      LYS  27   0.215  -2.122   7.883
  178   2HD   LYS  27           HD1      LYS  27   0.560  -3.312   6.627
  179   1HE   LYS  27           HE2      LYS  27   1.635  -4.179   8.549
  180   2HE   LYS  27           HE1      LYS  27   2.936  -3.412   7.638
  181   1HZ   LYS  27           HZ3      LYS  27   1.419  -2.071   9.806
  182   2HZ   LYS  27           HZ2      LYS  27   2.910  -2.854  10.036
  183   3HZ   LYS  27           HZ1      LYS  27   2.808  -1.496   9.021
  184    H    CYS  28           HN       CYS  28   4.472  -1.219   4.028
  185    HA   CYS  28           HA       CYS  28   4.690  -2.120   1.187
  186   1HB   CYS  28           HB2      CYS  28   5.839   0.268   2.495
  187   2HB   CYS  28           HB1      CYS  28   6.997  -0.686   1.570
  188    H    MET  29           HN       MET  29   5.915  -3.959   1.029
  189    HA   MET  29           HA       MET  29   7.858  -4.516   3.235
  190   1HB   MET  29           HB2      MET  29   5.691  -6.246   2.100
  191   2HB   MET  29           HB1      MET  29   7.187  -7.011   2.639
  192   1HG   MET  29           HG2      MET  29   6.619  -5.245   4.696
  193   2HG   MET  29           HG1      MET  29   5.024  -5.829   4.224
  194   1HE   MET  29           HE3      MET  29   4.057  -7.717   4.570
  195   2HE   MET  29           HE2      MET  29   4.973  -8.875   3.608
  196   3HE   MET  29           HE1      MET  29   4.644  -9.215   5.306
  197    H    ASN  30           HN       ASN  30   9.867  -5.071   2.518
  198    HA   ASN  30           HA       ASN  30  11.597  -5.221   0.919
  199   1HB   ASN  30           HB2      ASN  30  10.888  -7.281  -0.712
  200   2HB   ASN  30           HB1      ASN  30  11.522  -7.500   0.917
  201   1HD2  ASN  30          HD22      ASN  30   7.817  -8.772   0.118
  202   2HD2  ASN  30          HD21      ASN  30   8.947  -8.357  -1.079
  203    H    ARG  31           HN       ARG  31   9.956  -3.146   0.178
  204    HA   ARG  31           HA       ARG  31   9.418  -1.827  -1.680
  205   1HB   ARG  31           HB2      ARG  31  11.653  -3.419  -2.417
  206   2HB   ARG  31           HB1      ARG  31  10.552  -3.400  -3.796
  207   1HG   ARG  31           HG2      ARG  31  11.943  -1.478  -4.060
  208   2HG   ARG  31           HG1      ARG  31  10.399  -0.871  -3.462
  209   1HD   ARG  31           HD2      ARG  31  11.478   0.070  -1.727
  210   2HD   ARG  31           HD1      ARG  31  11.942  -1.541  -1.178
  211    HE   ARG  31           HE       ARG  31  14.097  -1.200  -2.123
  212   1HH1  ARG  31          HH11      ARG  31  11.803   1.114  -3.252
  213   2HH1  ARG  31          HH12      ARG  31  13.004   2.199  -3.866
  214   1HH2  ARG  31          HH21      ARG  31  15.679   0.252  -2.833
  215   2HH2  ARG  31          HH22      ARG  31  15.195   1.714  -3.628
  216    H    LYS  32           HN       LYS  32   7.466  -3.668  -0.879
  217    HA   LYS  32           HA       LYS  32   6.140  -4.170  -3.490
  218   1HB   LYS  32           HB2      LYS  32   6.986  -6.215  -1.553
  219   2HB   LYS  32           HB1      LYS  32   5.276  -6.311  -1.975
  220   1HG   LYS  32           HG2      LYS  32   7.063  -5.841  -4.273
  221   2HG   LYS  32           HG1      LYS  32   7.304  -7.394  -3.474
  222   1HD   LYS  32           HD2      LYS  32   4.518  -7.078  -3.610
  223   2HD   LYS  32           HD1      LYS  32   5.117  -6.539  -5.179
  224   1HE   LYS  32           HE2      LYS  32   6.536  -8.675  -5.200
  225   2HE   LYS  32           HE1      LYS  32   5.544  -9.218  -3.845
  226   1HZ   LYS  32           HZ3      LYS  32   3.592  -8.611  -5.362
  227   2HZ   LYS  32           HZ2      LYS  32   4.728  -8.651  -6.623
  228   3HZ   LYS  32           HZ1      LYS  32   4.443 -10.041  -5.690
  229    H    CYS  33           HN       CYS  33   4.817  -2.352  -2.979
  230    HA   CYS  33           HA       CYS  33   3.458  -2.011  -0.485
  231   1HB   CYS  33           HB2      CYS  33   3.714  -0.180  -2.111
  232   2HB   CYS  33           HB1      CYS  33   2.677  -1.038  -3.250
  233    H    LYS  34           HN       LYS  34   1.679  -3.014   0.309
  234    HA   LYS  34           HA       LYS  34  -0.039  -4.553  -1.592
  235   1HB   LYS  34           HB2      LYS  34   1.609  -5.596   0.491
  236   2HB   LYS  34           HB1      LYS  34  -0.070  -5.768   1.005
  237   1HG   LYS  34           HG2      LYS  34  -0.339  -6.583  -1.542
  238   2HG   LYS  34           HG1      LYS  34   1.349  -7.030  -1.292
  239   1HD   LYS  34           HD2      LYS  34  -1.054  -7.929   0.316
  240   2HD   LYS  34           HD1      LYS  34   0.040  -8.933  -0.638
  241   1HE   LYS  34           HE2      LYS  34   1.263  -9.242   1.228
  242   2HE   LYS  34           HE1      LYS  34   1.694  -7.533   1.155
  243   1HZ   LYS  34           HZ1      LYS  34  -0.311  -7.024   2.422
  244   2HZ   LYS  34           HZ3      LYS  34  -0.680  -8.677   2.522
  245   3HZ   LYS  34           HZ2      LYS  34   0.714  -8.073   3.280
  246    H    CYS  35           HN       CYS  35  -2.107  -3.833  -1.466
  247    HA   CYS  35           HA       CYS  35  -2.914  -2.084   0.752
  248   1HB   CYS  35           HB2      CYS  35  -4.538  -3.115  -1.595
  249   2HB   CYS  35           HB1      CYS  35  -4.989  -1.795  -0.516
  250    H    PHE  36           HN       PHE  36  -4.889  -2.539   2.022
  251    HA   PHE  36           HA       PHE  36  -5.168  -5.467   2.524
  252   1HB   PHE  36           HB2      PHE  36  -5.351  -3.029   4.243
  253   2HB   PHE  36           HB1      PHE  36  -6.362  -4.411   4.667
  254    HD1  PHE  36           HD1      PHE  36  -4.792  -6.729   3.985
  255    HD2  PHE  36           HD2      PHE  36  -3.494  -2.995   5.670
  256    HE1  PHE  36           HE1      PHE  36  -2.829  -7.864   4.988
  257    HE2  PHE  36           HE2      PHE  36  -1.531  -4.131   6.673
  258    HZ   PHE  36           HZ       PHE  36  -1.198  -6.566   6.331
  259    H    GLY  37           HN       GLY  37  -6.565  -4.834   0.350
  260   1HA   GLY  37           HA2      GLY  37  -9.057  -3.634   0.435
  261   2HA   GLY  37           HA1      GLY  37  -8.756  -5.112  -0.481
  262    H    ARG  38           HN       ARG  38  -8.100  -6.660   1.949
  263    HA   ARG  38           HA       ARG  38 -10.046  -6.663   3.946
  264   1HB   ARG  38           HB2      ARG  38 -11.622  -8.457   2.977
  265   2HB   ARG  38           HB1      ARG  38 -11.843  -6.806   2.399
  266   1HG   ARG  38           HG2      ARG  38 -11.686  -7.707   0.324
  267   2HG   ARG  38           HG1      ARG  38  -9.954  -7.786   0.646
  268   1HD   ARG  38           HD2      ARG  38 -10.200 -10.013   0.265
  269   2HD   ARG  38           HD1      ARG  38 -10.842 -10.053   1.907
  270    HE   ARG  38           HE       ARG  38 -12.618  -9.745  -0.483
  271   1HH1  ARG  38          HH11      ARG  38 -13.195  -9.670   2.658
  272   2HH1  ARG  38          HH12      ARG  38 -14.027 -11.181   2.803
  273   1HH2  ARG  38          HH21      ARG  38 -13.083 -12.307  -0.338
  274   2HH2  ARG  38          HH22      ARG  38 -13.967 -12.673   1.105
   
  No H/Q in entry =         274
  Start of MODEL    5
    1   1H    THR   4           HT1      THR   4   3.864  -1.047 -11.128
    2   2H    THR   4           HT3      THR   4   3.610  -2.718 -11.268
    3   3H    THR   4           HT2      THR   4   2.375  -1.719 -10.661
    4    HA   THR   4           HA       THR   4   3.134  -2.438  -8.679
    5    HB   THR   4           HB       THR   4   5.823  -2.792  -8.617
    6    HG1  THR   4           HG1      THR   4   6.604  -3.182 -10.536
    7   1HG2  THR   4          HG22      THR   4   3.559  -4.377  -8.547
    8   2HG2  THR   4          HG21      THR   4   4.480  -5.068  -9.883
    9   3HG2  THR   4          HG23      THR   4   5.210  -4.942  -8.283
   10    H    ILE   5           HN       ILE   5   4.798  -1.506  -6.977
   11    HA   ILE   5           HA       ILE   5   5.841   1.150  -7.713
   12    HB   ILE   5           HB       ILE   5   3.915   1.045  -5.408
   13   1HG1  ILE   5          HG12      ILE   5   3.215   1.511  -8.326
   14   2HG1  ILE   5          HG11      ILE   5   2.636   0.187  -7.314
   15   1HG2  ILE   5          HG21      ILE   5   5.455   3.032  -6.896
   16   2HG2  ILE   5          HG23      ILE   5   3.752   3.469  -6.765
   17   3HG2  ILE   5          HG22      ILE   5   4.698   3.161  -5.309
   18   1HD1  ILE   5          HD13      ILE   5   1.769   2.072  -5.740
   19   2HD1  ILE   5          HD12      ILE   5   1.957   3.117  -7.150
   20   3HD1  ILE   5          HD11      ILE   5   0.866   1.732  -7.216
   21    H    SER   6           HN       SER   6   7.026   2.129  -5.855
   22    HA   SER   6           HA       SER   6   8.025   0.015  -3.985
   23   1HB   SER   6           HB2      SER   6   9.417   1.839  -5.764
   24   2HB   SER   6           HB1      SER   6   9.912   2.102  -4.095
   25    HG   SER   6           HG       SER   6   9.692  -0.499  -5.169
   26    H    CYS   7           HN       CYS   7   8.113   0.580  -1.781
   27    HA   CYS   7           HA       CYS   7   7.760   3.354  -0.943
   28   1HB   CYS   7           HB2      CYS   7   5.584   3.085   0.102
   29   2HB   CYS   7           HB1      CYS   7   5.444   2.661  -1.604
   30    H    THR   8           HN       THR   8   8.503   3.624   1.116
   31    HA   THR   8           HA       THR   8   9.124   1.147   2.671
   32    HB   THR   8           HB       THR   8  11.116   2.467   2.000
   33    HG1  THR   8           HG1      THR   8  11.897   1.970   3.868
   34   1HG2  THR   8          HG23      THR   8   9.415   4.647   2.591
   35   2HG2  THR   8          HG22      THR   8  10.730   4.711   3.765
   36   3HG2  THR   8          HG21      THR   8  11.088   4.712   2.038
   37    H    ASN   9           HN       ASN   9   6.984   3.665   2.485
   38    HA   ASN   9           HA       ASN   9   6.407   3.514   5.408
   39   1HB   ASN   9           HB2      ASN   9   6.245   5.981   3.645
   40   2HB   ASN   9           HB1      ASN   9   5.744   5.904   5.333
   41   1HD2  ASN   9          HD22      ASN   9   9.161   5.619   6.535
   42   2HD2  ASN   9          HD21      ASN   9   7.604   5.021   6.854
   43    HA   PRO  10           HA       PRO  10   2.311   2.634   4.089
   44   1HB   PRO  10           HB2      PRO  10   0.877   3.732   6.162
   45   2HB   PRO  10           HB1      PRO  10   1.786   2.216   6.291
   46   1HG   PRO  10           HG2      PRO  10   2.453   4.909   7.385
   47   2HG   PRO  10           HG1      PRO  10   2.945   3.309   7.966
   48   1HD   PRO  10           HD2      PRO  10   4.549   5.087   6.465
   49   2HD   PRO  10           HD1      PRO  10   4.893   3.371   6.759
   50    H    LYS  11           HN       LYS  11   3.033   5.981   4.916
   51    HA   LYS  11           HA       LYS  11   0.681   7.275   4.106
   52   1HB   LYS  11           HB2      LYS  11   3.454   8.301   3.465
   53   2HB   LYS  11           HB1      LYS  11   2.005   9.245   3.809
   54   1HG   LYS  11           HG2      LYS  11   2.027   7.962   6.093
   55   2HG   LYS  11           HG1      LYS  11   3.722   7.666   5.705
   56   1HD   LYS  11           HD2      LYS  11   4.274   9.936   5.774
   57   2HD   LYS  11           HD1      LYS  11   2.611  10.451   5.484
   58   1HE   LYS  11           HE2      LYS  11   3.187  10.871   7.819
   59   2HE   LYS  11           HE1      LYS  11   1.990   9.578   7.739
   60   1HZ   LYS  11           HZ1      LYS  11   4.837   8.874   7.691
   61   2HZ   LYS  11           HZ3      LYS  11   4.139   9.318   9.172
   62   3HZ   LYS  11           HZ2      LYS  11   3.517   7.997   8.303
   63    H    GLN  12           HN       GLN  12   3.069   5.663   2.124
   64    HA   GLN  12           HA       GLN  12   2.177   6.947  -0.355
   65   1HB   GLN  12           HB2      GLN  12   3.912   4.500   0.090
   66   2HB   GLN  12           HB1      GLN  12   3.675   5.316  -1.456
   67   1HG   GLN  12           HG2      GLN  12   4.451   7.153   0.691
   68   2HG   GLN  12           HG1      GLN  12   5.663   5.911   0.380
   69   1HE2  GLN  12          HE22      GLN  12   4.632   8.027  -2.983
   70   2HE2  GLN  12          HE21      GLN  12   3.414   7.354  -2.010
   71    H    CYS  13           HN       CYS  13   1.783   3.727   1.145
   72    HA   CYS  13           HA       CYS  13  -0.021   2.858  -0.988
   73   1HB   CYS  13           HB2      CYS  13   0.417   1.567   1.716
   74   2HB   CYS  13           HB1      CYS  13  -0.211   0.804   0.254
   75    H    TYR  14           HN       TYR  14  -0.370   4.910   1.632
   76    HA   TYR  14           HA       TYR  14  -2.953   4.121   2.590
   77   1HB   TYR  14           HB2      TYR  14  -1.125   6.399   2.913
   78   2HB   TYR  14           HB1      TYR  14  -2.827   6.832   3.018
   79    HD1  TYR  14           HD1      TYR  14  -1.473   3.508   3.900
   80    HD2  TYR  14           HD2      TYR  14  -2.883   7.279   5.394
   81    HE1  TYR  14           HE1      TYR  14  -1.557   2.568   6.194
   82    HE2  TYR  14           HE2      TYR  14  -2.968   6.340   7.688
   83    HH   TYR  14           HH       TYR  14  -3.072   4.250   8.815
   84    HA   PRO  15           HA       PRO  15  -4.555   7.308  -0.594
   85   1HB   PRO  15           HB2      PRO  15  -2.674   8.322  -2.340
   86   2HB   PRO  15           HB1      PRO  15  -3.191   9.130  -0.847
   87   1HG   PRO  15           HG2      PRO  15  -0.629   7.754  -1.448
   88   2HG   PRO  15           HG1      PRO  15  -0.998   8.943  -0.197
   89   1HD   PRO  15           HD2      PRO  15  -0.733   6.146   0.207
   90   2HD   PRO  15           HD1      PRO  15  -1.339   7.336   1.370
   91    H    HIS  16           HN       HIS  16  -1.780   5.471  -1.905
   92    HA   HIS  16           HA       HIS  16  -2.909   4.919  -4.457
   93   1HB   HIS  16           HB2      HIS  16  -0.549   4.475  -3.979
   94   2HB   HIS  16           HB1      HIS  16  -0.998   3.251  -2.793
   95    HD1  HIS  16           HD1      HIS  16  -2.421   3.779  -6.285
   96    HD2  HIS  16           HD2      HIS  16  -0.348   0.892  -4.106
   97    HE1  HIS  16           HE1      HIS  16  -2.269   1.732  -7.770
   98    H    CYS  17           HN       CYS  17  -3.305   3.318  -1.326
   99    HA   CYS  17           HA       CYS  17  -4.919   1.158  -2.492
  100   1HB   CYS  17           HB2      CYS  17  -4.230   1.932   0.352
  101   2HB   CYS  17           HB1      CYS  17  -5.300   0.586  -0.041
  102    H    LYS  18           HN       LYS  18  -5.435   4.244  -0.914
  103    HA   LYS  18           HA       LYS  18  -8.113   4.004  -0.090
  104   1HB   LYS  18           HB2      LYS  18  -6.789   5.996   0.394
  105   2HB   LYS  18           HB1      LYS  18  -6.704   6.390  -1.323
  106   1HG   LYS  18           HG2      LYS  18  -8.479   7.736  -0.697
  107   2HG   LYS  18           HG1      LYS  18  -9.353   6.268  -1.129
  108   1HD   LYS  18           HD2      LYS  18  -9.748   5.684   1.086
  109   2HD   LYS  18           HD1      LYS  18  -8.348   6.579   1.678
  110   1HE   LYS  18           HE2      LYS  18  -9.457   8.685   1.370
  111   2HE   LYS  18           HE1      LYS  18 -10.776   7.929   0.476
  112   1HZ   LYS  18           HZ2      LYS  18 -10.910   6.547   2.716
  113   2HZ   LYS  18           HZ1      LYS  18 -10.268   7.991   3.344
  114   3HZ   LYS  18           HZ3      LYS  18 -11.740   8.014   2.502
  115    H    LYS  19           HN       LYS  19  -6.805   4.227  -3.331
  116    HA   LYS  19           HA       LYS  19  -9.582   4.482  -4.401
  117   1HB   LYS  19           HB2      LYS  19  -8.490   5.091  -6.540
  118   2HB   LYS  19           HB1      LYS  19  -7.999   6.169  -5.232
  119   1HG   LYS  19           HG2      LYS  19  -5.854   5.644  -5.649
  120   2HG   LYS  19           HG1      LYS  19  -6.202   3.978  -5.188
  121   1HD   LYS  19           HD2      LYS  19  -5.313   3.909  -7.420
  122   2HD   LYS  19           HD1      LYS  19  -7.046   3.608  -7.550
  123   1HE   LYS  19           HE2      LYS  19  -7.460   5.903  -8.200
  124   2HE   LYS  19           HE1      LYS  19  -5.779   6.340  -7.889
  125   1HZ   LYS  19           HZ1      LYS  19  -5.183   4.633  -9.607
  126   2HZ   LYS  19           HZ3      LYS  19  -6.829   4.556 -10.010
  127   3HZ   LYS  19           HZ2      LYS  19  -5.976   6.014 -10.200
  128    H    GLU  20           HN       GLU  20  -6.770   2.391  -4.289
  129    HA   GLU  20           HA       GLU  20  -7.431   0.657  -6.444
  130   1HB   GLU  20           HB2      GLU  20  -5.769   0.457  -3.980
  131   2HB   GLU  20           HB1      GLU  20  -6.225  -1.055  -4.763
  132   1HG   GLU  20           HG2      GLU  20  -5.088   1.236  -6.360
  133   2HG   GLU  20           HG1      GLU  20  -4.032   0.086  -5.539
  134    H    THR  21           HN       THR  21  -8.193   0.352  -2.958
  135    HA   THR  21           HA       THR  21 -10.551  -1.301  -3.759
  136    HB   THR  21           HB       THR  21  -8.864  -2.836  -2.899
  137    HG1  THR  21           HG1      THR  21 -10.646  -3.606  -2.079
  138   1HG2  THR  21          HG23      THR  21  -7.652  -0.981  -1.629
  139   2HG2  THR  21          HG22      THR  21  -8.843  -1.214  -0.349
  140   3HG2  THR  21          HG21      THR  21  -7.765  -2.535  -0.803
  141    H    GLY  22           HN       GLY  22  -9.804   1.568  -2.631
  142   1HA   GLY  22           HA2      GLY  22 -11.246   3.100  -1.535
  143   2HA   GLY  22           HA1      GLY  22 -12.206   1.736  -0.971
  144    H    TYR  23           HN       TYR  23 -10.499   0.185   0.421
  145    HA   TYR  23           HA       TYR  23 -10.146   1.560   2.880
  146   1HB   TYR  23           HB2      TYR  23  -8.612  -0.901   2.009
  147   2HB   TYR  23           HB1      TYR  23  -9.015  -0.419   3.656
  148    HD1  TYR  23           HD2      TYR  23 -11.558  -0.150   4.202
  149    HD2  TYR  23           HD1      TYR  23 -10.038  -2.343   0.836
  150    HE1  TYR  23           HE2      TYR  23 -13.703  -1.384   4.037
  151    HE2  TYR  23           HE1      TYR  23 -12.182  -3.578   0.672
  152    HH   TYR  23           HH       TYR  23 -14.862  -2.749   1.681
  153    HA   PRO  24           HA       PRO  24  -6.367   3.666   1.765
  154   1HB   PRO  24           HB2      PRO  24  -6.153   5.053   4.130
  155   2HB   PRO  24           HB1      PRO  24  -7.230   5.535   2.807
  156   1HG   PRO  24           HG2      PRO  24  -7.913   4.258   5.414
  157   2HG   PRO  24           HG1      PRO  24  -8.907   5.296   4.379
  158   1HD   PRO  24           HD2      PRO  24  -9.091   2.478   4.564
  159   2HD   PRO  24           HD1      PRO  24  -9.831   3.493   3.308
  160    H    ASN  25           HN       ASN  25  -6.891   1.869   4.769
  161    HA   ASN  25           HA       ASN  25  -4.279   1.811   5.808
  162   1HB   ASN  25           HB2      ASN  25  -6.686   0.451   6.298
  163   2HB   ASN  25           HB1      ASN  25  -5.507  -0.816   5.960
  164   1HD2  ASN  25          HD22      ASN  25  -3.953  -0.460   9.092
  165   2HD2  ASN  25          HD21      ASN  25  -4.226  -1.416   7.715
  166    H    ALA  26           HN       ALA  26  -2.400   0.777   5.212
  167    HA   ALA  26           HA       ALA  26  -2.378  -1.506   3.418
  168   1HB   ALA  26           HB2      ALA  26  -2.817   0.399   1.836
  169   2HB   ALA  26           HB1      ALA  26  -1.281   1.105   2.336
  170   3HB   ALA  26           HB3      ALA  26  -1.307  -0.453   1.511
  171    H    LYS  27           HN       LYS  27  -0.210  -2.375   3.198
  172    HA   LYS  27           HA       LYS  27   1.768  -1.098   5.050
  173   1HB   LYS  27           HB2      LYS  27   1.216  -4.045   4.591
  174   2HB   LYS  27           HB1      LYS  27   2.539  -3.415   5.573
  175   1HG   LYS  27           HG2      LYS  27   0.652  -2.091   6.809
  176   2HG   LYS  27           HG1      LYS  27  -0.421  -3.295   6.095
  177   1HD   LYS  27           HD2      LYS  27   0.191  -4.190   8.213
  178   2HD   LYS  27           HD1      LYS  27   1.186  -5.057   7.041
  179   1HE   LYS  27           HE2      LYS  27   3.075  -4.275   7.982
  180   2HE   LYS  27           HE1      LYS  27   2.502  -2.612   7.850
  181   1HZ   LYS  27           HZ2      LYS  27   1.597  -4.468   9.975
  182   2HZ   LYS  27           HZ1      LYS  27   2.926  -3.426  10.164
  183   3HZ   LYS  27           HZ3      LYS  27   1.379  -2.785   9.901
  184    H    CYS  28           HN       CYS  28   4.015  -1.376   4.452
  185    HA   CYS  28           HA       CYS  28   4.363  -1.836   1.524
  186   1HB   CYS  28           HB2      CYS  28   5.921  -0.251   3.571
  187   2HB   CYS  28           HB1      CYS  28   6.628  -0.682   2.014
  188    H    MET  29           HN       MET  29   4.940  -3.949   1.182
  189    HA   MET  29           HA       MET  29   6.950  -5.146   3.046
  190   1HB   MET  29           HB2      MET  29   5.031  -6.570   1.176
  191   2HB   MET  29           HB1      MET  29   6.108  -7.331   2.348
  192   1HG   MET  29           HG2      MET  29   4.044  -5.291   3.184
  193   2HG   MET  29           HG1      MET  29   3.657  -7.008   3.067
  194   1HE   MET  29           HE3      MET  29   5.311  -8.735   3.824
  195   2HE   MET  29           HE2      MET  29   5.871  -8.781   5.493
  196   3HE   MET  29           HE1      MET  29   4.144  -8.702   5.153
  197    H    ASN  30           HN       ASN  30   8.914  -5.705   2.203
  198    HA   ASN  30           HA       ASN  30  10.667  -5.588   0.625
  199   1HB   ASN  30           HB2      ASN  30  10.156  -7.109  -1.377
  200   2HB   ASN  30           HB1      ASN  30  10.018  -7.842   0.220
  201   1HD2  ASN  30          HD22      ASN  30   6.752  -7.600  -2.150
  202   2HD2  ASN  30          HD21      ASN  30   8.285  -7.104  -2.684
  203    H    ARG  31           HN       ARG  31   9.147  -3.247   0.504
  204    HA   ARG  31           HA       ARG  31   8.760  -1.420  -0.914
  205   1HB   ARG  31           HB2      ARG  31  10.421  -3.115  -2.804
  206   2HB   ARG  31           HB1      ARG  31  10.001  -1.424  -3.073
  207   1HG   ARG  31           HG2      ARG  31  11.014  -1.356  -0.517
  208   2HG   ARG  31           HG1      ARG  31  12.022  -2.588  -1.278
  209   1HD   ARG  31           HD2      ARG  31  11.556   0.238  -2.271
  210   2HD   ARG  31           HD1      ARG  31  13.061  -0.419  -1.626
  211    HE   ARG  31           HE       ARG  31  12.031  -0.827  -4.328
  212   1HH1  ARG  31          HH11      ARG  31  13.802  -2.248  -1.735
  213   2HH1  ARG  31          HH12      ARG  31  14.891  -3.106  -2.772
  214   1HH2  ARG  31          HH21      ARG  31  13.522  -1.847  -5.698
  215   2HH2  ARG  31          HH22      ARG  31  14.734  -2.878  -5.013
  216    H    LYS  32           HN       LYS  32   6.668  -3.204  -0.724
  217    HA   LYS  32           HA       LYS  32   5.450  -2.935  -3.412
  218   1HB   LYS  32           HB2      LYS  32   6.391  -5.420  -2.413
  219   2HB   LYS  32           HB1      LYS  32   4.632  -5.457  -2.286
  220   1HG   LYS  32           HG2      LYS  32   4.678  -6.026  -4.483
  221   2HG   LYS  32           HG1      LYS  32   5.000  -4.315  -4.762
  222   1HD   LYS  32           HD2      LYS  32   7.240  -4.660  -5.172
  223   2HD   LYS  32           HD1      LYS  32   7.331  -6.047  -4.087
  224   1HE   LYS  32           HE2      LYS  32   6.530  -7.528  -5.690
  225   2HE   LYS  32           HE1      LYS  32   5.677  -6.266  -6.579
  226   1HZ   LYS  32           HZ2      LYS  32   8.566  -5.991  -6.418
  227   2HZ   LYS  32           HZ1      LYS  32   7.998  -7.287  -7.361
  228   3HZ   LYS  32           HZ3      LYS  32   7.516  -5.701  -7.722
  229    H    CYS  33           HN       CYS  33   3.759  -1.619  -2.866
  230    HA   CYS  33           HA       CYS  33   2.566  -1.259  -0.385
  231   1HB   CYS  33           HB2      CYS  33   1.521  -1.008  -3.186
  232   2HB   CYS  33           HB1      CYS  33   0.405  -0.814  -1.835
  233    H    LYS  34           HN       LYS  34   0.762  -2.182   0.688
  234    HA   LYS  34           HA       LYS  34  -0.227  -4.773  -0.404
  235   1HB   LYS  34           HB2      LYS  34   1.594  -4.551   1.721
  236   2HB   LYS  34           HB1      LYS  34   0.033  -4.841   2.489
  237   1HG   LYS  34           HG2      LYS  34   0.984  -6.998   2.026
  238   2HG   LYS  34           HG1      LYS  34  -0.302  -6.744   0.846
  239   1HD   LYS  34           HD2      LYS  34   2.242  -5.669  -0.086
  240   2HD   LYS  34           HD1      LYS  34   2.350  -7.394   0.269
  241   1HE   LYS  34           HE2      LYS  34   0.083  -7.531  -1.046
  242   2HE   LYS  34           HE1      LYS  34   0.590  -5.980  -1.714
  243   1HZ   LYS  34           HZ1      LYS  34   2.825  -7.530  -1.857
  244   2HZ   LYS  34           HZ3      LYS  34   1.579  -8.606  -2.264
  245   3HZ   LYS  34           HZ2      LYS  34   1.778  -7.167  -3.146
  246    H    CYS  35           HN       CYS  35  -2.031  -3.157  -0.880
  247    HA   CYS  35           HA       CYS  35  -3.530  -1.763   1.006
  248   1HB   CYS  35           HB2      CYS  35  -4.655  -3.459  -1.246
  249   2HB   CYS  35           HB1      CYS  35  -5.481  -2.124  -0.444
  250    H    PHE  36           HN       PHE  36  -5.295  -2.338   2.390
  251    HA   PHE  36           HA       PHE  36  -5.154  -5.148   3.337
  252   1HB   PHE  36           HB2      PHE  36  -5.802  -2.532   4.547
  253   2HB   PHE  36           HB1      PHE  36  -6.831  -3.862   5.079
  254    HD1  PHE  36           HD2      PHE  36  -5.469  -6.146   5.535
  255    HD2  PHE  36           HD1      PHE  36  -3.829  -2.179   5.731
  256    HE1  PHE  36           HE2      PHE  36  -3.648  -6.971   7.000
  257    HE2  PHE  36           HE1      PHE  36  -2.007  -3.006   7.197
  258    HZ   PHE  36           HZ       PHE  36  -1.917  -5.402   7.831
  259    H    GLY  37           HN       GLY  37  -6.486  -4.802   0.882
  260   1HA   GLY  37           HA2      GLY  37  -9.262  -4.359   0.975
  261   2HA   GLY  37           HA1      GLY  37  -8.490  -5.496  -0.133
  262    H    ARG  38           HN       ARG  38  -7.415  -7.238   1.896
  263    HA   ARG  38           HA       ARG  38  -9.938  -8.412   2.927
  264   1HB   ARG  38           HB2      ARG  38  -7.392  -9.832   2.100
  265   2HB   ARG  38           HB1      ARG  38  -8.853 -10.614   2.706
  266   1HG   ARG  38           HG2      ARG  38  -9.361  -8.779   0.471
  267   2HG   ARG  38           HG1      ARG  38  -8.304 -10.124   0.044
  268   1HD   ARG  38           HD2      ARG  38 -10.062 -11.591   1.294
  269   2HD   ARG  38           HD1      ARG  38 -11.130 -10.204   1.077
  270    HE   ARG  38           HE       ARG  38  -9.978 -10.745  -1.444
  271   1HH1  ARG  38          HH11      ARG  38 -11.058 -13.136   0.620
  272   2HH1  ARG  38          HH12      ARG  38 -12.342 -13.694  -0.400
  273   1HH2  ARG  38          HH21      ARG  38 -12.045 -11.080  -2.657
  274   2HH2  ARG  38          HH22      ARG  38 -12.898 -12.533  -2.254
   
  No H/Q in entry =         274
  Start of MODEL    6
    1   1H    THR   4           HT1      THR   4   4.663  -3.869  -8.716
    2   2H    THR   4           HT3      THR   4   3.364  -4.801  -8.147
    3   3H    THR   4           HT2      THR   4   3.065  -3.370  -9.012
    4    HA   THR   4           HA       THR   4   2.692  -2.772  -6.806
    5    HB   THR   4           HB       THR   4   4.493  -3.311  -5.074
    6    HG1  THR   4           HG1      THR   4   5.524  -5.419  -5.964
    7   1HG2  THR   4          HG23      THR   4   2.560  -5.149  -6.351
    8   2HG2  THR   4          HG22      THR   4   3.762  -5.921  -5.317
    9   3HG2  THR   4          HG21      THR   4   2.710  -4.668  -4.661
   10    H    ILE   5           HN       ILE   5   3.534  -0.827  -5.842
   11    HA   ILE   5           HA       ILE   5   5.535   0.516  -7.573
   12    HB   ILE   5           HB       ILE   5   3.948   1.810  -5.359
   13   1HG1  ILE   5          HG12      ILE   5   2.999   1.637  -8.220
   14   2HG1  ILE   5          HG11      ILE   5   2.527   0.421  -7.032
   15   1HG2  ILE   5          HG23      ILE   5   5.515   2.663  -7.747
   16   2HG2  ILE   5          HG22      ILE   5   4.091   3.617  -7.330
   17   3HG2  ILE   5          HG21      ILE   5   5.391   3.414  -6.156
   18   1HD1  ILE   5          HD13      ILE   5   2.107   3.406  -6.706
   19   2HD1  ILE   5          HD12      ILE   5   0.861   2.261  -7.203
   20   3HD1  ILE   5          HD11      ILE   5   1.570   2.149  -5.593
   21    H    SER   6           HN       SER   6   7.113   1.988  -6.412
   22    HA   SER   6           HA       SER   6   8.398   0.472  -4.233
   23   1HB   SER   6           HB2      SER   6   9.523   1.714  -6.296
   24   2HB   SER   6           HB1      SER   6   9.434   3.107  -5.220
   25    HG   SER   6           HG       SER   6  10.858   0.705  -4.959
   26    H    CYS   7           HN       CYS   7   7.763   0.902  -2.165
   27    HA   CYS   7           HA       CYS   7   7.144   3.747  -1.488
   28   1HB   CYS   7           HB2      CYS   7   5.375   2.882   0.055
   29   2HB   CYS   7           HB1      CYS   7   5.028   2.556  -1.643
   30    H    THR   8           HN       THR   8   8.410   4.463   0.137
   31    HA   THR   8           HA       THR   8   9.859   2.484   1.810
   32    HB   THR   8           HB       THR   8  11.350   4.247   2.369
   33    HG1  THR   8           HG1      THR   8  10.575   6.444   1.486
   34   1HG2  THR   8          HG22      THR   8  10.379   4.746  -0.459
   35   2HG2  THR   8          HG21      THR   8  11.936   5.264   0.189
   36   3HG2  THR   8          HG23      THR   8  11.575   3.545   0.028
   37    H    ASN   9           HN       ASN   9   7.165   4.588   1.877
   38    HA   ASN   9           HA       ASN   9   6.847   4.082   4.798
   39   1HB   ASN   9           HB2      ASN   9   6.614   6.709   3.324
   40   2HB   ASN   9           HB1      ASN   9   5.724   6.426   4.822
   41   1HD2  ASN   9          HD22      ASN   9   9.329   7.753   5.334
   42   2HD2  ASN   9          HD21      ASN   9   8.211   8.167   4.126
   43    HA   PRO  10           HA       PRO  10   2.773   2.936   3.638
   44   1HB   PRO  10           HB2      PRO  10   1.404   3.617   5.919
   45   2HB   PRO  10           HB1      PRO  10   2.475   2.209   5.803
   46   1HG   PRO  10           HG2      PRO  10   2.936   4.817   7.172
   47   2HG   PRO  10           HG1      PRO  10   3.637   3.228   7.521
   48   1HD   PRO  10           HD2      PRO  10   4.925   5.339   6.141
   49   2HD   PRO  10           HD1      PRO  10   5.472   3.650   6.210
   50    H    LYS  11           HN       LYS  11   3.225   6.221   4.839
   51    HA   LYS  11           HA       LYS  11   0.713   7.359   4.375
   52   1HB   LYS  11           HB2      LYS  11   3.425   8.312   4.647
   53   2HB   LYS  11           HB1      LYS  11   2.584   9.237   3.402
   54   1HG   LYS  11           HG2      LYS  11   1.259  10.262   4.919
   55   2HG   LYS  11           HG1      LYS  11   0.906   8.744   5.745
   56   1HD   LYS  11           HD2      LYS  11   3.463   9.047   6.515
   57   2HD   LYS  11           HD1      LYS  11   3.043  10.745   6.290
   58   1HE   LYS  11           HE2      LYS  11   2.579  10.022   8.604
   59   2HE   LYS  11           HE1      LYS  11   1.089  10.464   7.769
   60   1HZ   LYS  11           HZ2      LYS  11   1.889   7.691   7.511
   61   2HZ   LYS  11           HZ1      LYS  11   1.430   8.167   9.076
   62   3HZ   LYS  11           HZ3      LYS  11   0.351   8.360   7.782
   63    H    GLN  12           HN       GLN  12   3.043   6.228   2.025
   64    HA   GLN  12           HA       GLN  12   1.693   7.602  -0.207
   65   1HB   GLN  12           HB2      GLN  12   4.073   5.801   0.080
   66   2HB   GLN  12           HB1      GLN  12   3.312   5.956  -1.503
   67   1HG   GLN  12           HG2      GLN  12   4.227   7.987  -1.815
   68   2HG   GLN  12           HG1      GLN  12   3.599   8.558  -0.268
   69   1HE2  GLN  12          HE21      GLN  12   5.420   9.486   0.730
   70   2HE2  GLN  12          HE22      GLN  12   6.898   8.684   0.956
   71    H    CYS  13           HN       CYS  13   1.931   4.332   1.141
   72    HA   CYS  13           HA       CYS  13   0.219   3.195  -0.943
   73   1HB   CYS  13           HB2      CYS  13   1.459   2.164   1.602
   74   2HB   CYS  13           HB1      CYS  13   0.214   1.228   0.775
   75    H    TYR  14           HN       TYR  14  -0.357   5.149   1.705
   76    HA   TYR  14           HA       TYR  14  -2.761   3.925   2.713
   77   1HB   TYR  14           HB2      TYR  14  -1.231   6.404   3.148
   78   2HB   TYR  14           HB1      TYR  14  -2.969   6.573   3.373
   79    HD1  TYR  14           HD1      TYR  14  -4.090   4.534   4.715
   80    HD2  TYR  14           HD2      TYR  14   0.040   5.694   4.951
   81    HE1  TYR  14           HE1      TYR  14  -3.893   3.396   6.911
   82    HE2  TYR  14           HE2      TYR  14   0.236   4.557   7.145
   83    HH   TYR  14           HH       TYR  14  -2.119   3.833   9.054
   84    HA   PRO  15           HA       PRO  15  -4.878   7.117  -0.145
   85   1HB   PRO  15           HB2      PRO  15  -3.223   8.457  -1.900
   86   2HB   PRO  15           HB1      PRO  15  -3.746   9.099  -0.329
   87   1HG   PRO  15           HG2      PRO  15  -1.083   8.071  -1.148
   88   2HG   PRO  15           HG1      PRO  15  -1.512   9.125   0.203
   89   1HD   PRO  15           HD2      PRO  15  -0.916   6.354   0.384
   90   2HD   PRO  15           HD1      PRO  15  -1.581   7.381   1.665
   91    H    HIS  16           HN       HIS  16  -1.990   5.699  -1.712
   92    HA   HIS  16           HA       HIS  16  -3.139   5.193  -4.249
   93   1HB   HIS  16           HB2      HIS  16  -0.796   4.826  -4.038
   94   2HB   HIS  16           HB1      HIS  16  -1.010   3.749  -2.658
   95    HD1  HIS  16           HD1      HIS  16  -3.163   3.425  -5.721
   96    HD2  HIS  16           HD2      HIS  16   0.119   1.513  -4.007
   97    HE1  HIS  16           HE1      HIS  16  -2.845   1.262  -7.001
   98    H    CYS  17           HN       CYS  17  -3.094   3.143  -1.322
   99    HA   CYS  17           HA       CYS  17  -4.654   1.027  -2.502
  100   1HB   CYS  17           HB2      CYS  17  -3.963   1.816   0.324
  101   2HB   CYS  17           HB1      CYS  17  -5.117   0.519   0.014
  102    H    LYS  18           HN       LYS  18  -5.449   4.012  -0.813
  103    HA   LYS  18           HA       LYS  18  -8.204   3.444  -0.310
  104   1HB   LYS  18           HB2      LYS  18  -7.025   5.328   0.754
  105   2HB   LYS  18           HB1      LYS  18  -6.849   6.110  -0.817
  106   1HG   LYS  18           HG2      LYS  18  -9.442   5.878  -0.958
  107   2HG   LYS  18           HG1      LYS  18  -9.352   5.657   0.791
  108   1HD   LYS  18           HD2      LYS  18  -9.047   7.865   1.109
  109   2HD   LYS  18           HD1      LYS  18  -7.688   7.878  -0.017
  110   1HE   LYS  18           HE2      LYS  18  -8.974   8.573  -1.777
  111   2HE   LYS  18           HE1      LYS  18 -10.385   7.665  -1.237
  112   1HZ   LYS  18           HZ2      LYS  18  -9.492   9.924   0.394
  113   2HZ   LYS  18           HZ1      LYS  18 -10.290  10.266  -1.065
  114   3HZ   LYS  18           HZ3      LYS  18 -11.063   9.336   0.124
  115    H    LYS  19           HN       LYS  19  -6.482   4.593  -3.156
  116    HA   LYS  19           HA       LYS  19  -9.017   5.133  -4.576
  117   1HB   LYS  19           HB2      LYS  19  -6.110   5.583  -5.131
  118   2HB   LYS  19           HB1      LYS  19  -7.214   5.474  -6.502
  119   1HG   LYS  19           HG2      LYS  19  -8.662   7.203  -5.360
  120   2HG   LYS  19           HG1      LYS  19  -7.370   7.409  -4.178
  121   1HD   LYS  19           HD2      LYS  19  -6.616   7.546  -7.061
  122   2HD   LYS  19           HD1      LYS  19  -7.506   8.914  -6.392
  123   1HE   LYS  19           HE2      LYS  19  -5.717   9.623  -5.204
  124   2HE   LYS  19           HE1      LYS  19  -5.368   7.996  -4.618
  125   1HZ   LYS  19           HZ1      LYS  19  -4.481   7.558  -6.925
  126   2HZ   LYS  19           HZ3      LYS  19  -4.538   9.234  -7.175
  127   3HZ   LYS  19           HZ2      LYS  19  -3.553   8.592  -5.948
  128    H    GLU  20           HN       GLU  20  -8.005   2.363  -3.685
  129    HA   GLU  20           HA       GLU  20  -8.323   1.093  -6.346
  130   1HB   GLU  20           HB2      GLU  20  -6.475   0.269  -4.098
  131   2HB   GLU  20           HB1      GLU  20  -6.840  -0.756  -5.487
  132   1HG   GLU  20           HG2      GLU  20  -6.072   1.979  -6.231
  133   2HG   GLU  20           HG1      GLU  20  -4.799   1.100  -5.384
  134    H    THR  21           HN       THR  21  -8.272   0.091  -2.908
  135    HA   THR  21           HA       THR  21 -10.789  -1.426  -3.452
  136    HB   THR  21           HB       THR  21  -9.039  -2.886  -2.664
  137    HG1  THR  21           HG1      THR  21 -11.216  -2.875  -1.613
  138   1HG2  THR  21          HG22      THR  21  -8.634  -0.741  -0.576
  139   2HG2  THR  21          HG21      THR  21  -7.986  -2.370  -0.390
  140   3HG2  THR  21          HG23      THR  21  -7.461  -1.360  -1.738
  141    H    GLY  22           HN       GLY  22  -9.997   1.506  -2.386
  142   1HA   GLY  22           HA2      GLY  22 -11.426   3.030  -1.262
  143   2HA   GLY  22           HA1      GLY  22 -12.349   1.662  -0.653
  144    H    TYR  23           HN       TYR  23 -10.953   0.210   0.907
  145    HA   TYR  23           HA       TYR  23 -10.344   1.720   3.212
  146   1HB   TYR  23           HB2      TYR  23  -9.668  -1.077   2.334
  147   2HB   TYR  23           HB1      TYR  23  -9.017  -0.440   3.844
  148    HD1  TYR  23           HD1      TYR  23 -10.840   0.887   5.316
  149    HD2  TYR  23           HD2      TYR  23 -11.713  -2.193   2.452
  150    HE1  TYR  23           HE1      TYR  23 -13.005   0.452   6.444
  151    HE2  TYR  23           HE2      TYR  23 -13.878  -2.628   3.581
  152    HH   TYR  23           HH       TYR  23 -15.397  -0.663   5.457
  153    HA   PRO  24           HA       PRO  24  -6.351   3.266   1.963
  154   1HB   PRO  24           HB2      PRO  24  -5.901   4.698   4.268
  155   2HB   PRO  24           HB1      PRO  24  -6.946   5.260   2.952
  156   1HG   PRO  24           HG2      PRO  24  -7.709   4.173   5.622
  157   2HG   PRO  24           HG1      PRO  24  -8.595   5.288   4.570
  158   1HD   PRO  24           HD2      PRO  24  -9.121   2.524   4.869
  159   2HD   PRO  24           HD1      PRO  24  -9.764   3.577   3.591
  160    H    ASN  25           HN       ASN  25  -7.065   1.237   4.659
  161    HA   ASN  25           HA       ASN  25  -4.512   1.062   5.893
  162   1HB   ASN  25           HB2      ASN  25  -5.302  -0.904   6.946
  163   2HB   ASN  25           HB1      ASN  25  -6.756   0.053   6.670
  164   1HD2  ASN  25          HD22      ASN  25  -7.470  -2.116   3.670
  165   2HD2  ASN  25          HD21      ASN  25  -7.105  -0.471   3.860
  166    H    ALA  26           HN       ALA  26  -2.630   0.191   5.188
  167    HA   ALA  26           HA       ALA  26  -2.588  -2.054   3.312
  168   1HB   ALA  26           HB3      ALA  26  -2.891   0.142   1.949
  169   2HB   ALA  26           HB2      ALA  26  -1.214   0.467   2.389
  170   3HB   ALA  26           HB1      ALA  26  -1.617  -0.974   1.456
  171    H    LYS  27           HN       LYS  27   0.004  -2.065   2.536
  172    HA   LYS  27           HA       LYS  27   1.748  -1.263   4.766
  173   1HB   LYS  27           HB2      LYS  27   0.860  -4.079   4.301
  174   2HB   LYS  27           HB1      LYS  27   2.543  -3.811   4.752
  175   1HG   LYS  27           HG2      LYS  27   1.279  -2.181   6.536
  176   2HG   LYS  27           HG1      LYS  27   0.085  -3.468   6.361
  177   1HD   LYS  27           HD2      LYS  27   1.625  -4.049   8.163
  178   2HD   LYS  27           HD1      LYS  27   1.884  -5.143   6.802
  179   1HE   LYS  27           HE2      LYS  27   4.012  -4.445   6.550
  180   2HE   LYS  27           HE1      LYS  27   3.515  -2.752   6.544
  181   1HZ   LYS  27           HZ1      LYS  27   3.529  -4.221   9.084
  182   2HZ   LYS  27           HZ3      LYS  27   5.006  -3.685   8.445
  183   3HZ   LYS  27           HZ2      LYS  27   3.776  -2.565   8.791
  184    H    CYS  28           HN       CYS  28   4.059  -2.073   4.273
  185    HA   CYS  28           HA       CYS  28   4.483  -2.297   1.324
  186   1HB   CYS  28           HB2      CYS  28   5.740  -0.381   3.286
  187   2HB   CYS  28           HB1      CYS  28   6.602  -0.859   1.823
  188    H    MET  29           HN       MET  29   5.002  -4.511   1.476
  189    HA   MET  29           HA       MET  29   7.030  -5.372   3.435
  190   1HB   MET  29           HB2      MET  29   5.971  -7.155   1.272
  191   2HB   MET  29           HB1      MET  29   6.389  -7.548   2.939
  192   1HG   MET  29           HG2      MET  29   4.358  -5.682   3.226
  193   2HG   MET  29           HG1      MET  29   3.840  -6.625   1.829
  194   1HE   MET  29           HE3      MET  29   4.905  -8.938   1.819
  195   2HE   MET  29           HE2      MET  29   5.267  -9.911   3.242
  196   3HE   MET  29           HE1      MET  29   3.659  -9.976   2.524
  197    H    ASN  30           HN       ASN  30   9.139  -5.186   2.952
  198    HA   ASN  30           HA       ASN  30  11.063  -4.778   1.640
  199   1HB   ASN  30           HB2      ASN  30  11.368  -6.753  -0.006
  200   2HB   ASN  30           HB1      ASN  30  11.224  -7.128   1.711
  201   1HD2  ASN  30          HD22      ASN  30   7.932  -8.547   1.369
  202   2HD2  ASN  30          HD21      ASN  30   8.937  -7.728   2.464
  203    H    ARG  31           HN       ARG  31   9.365  -2.940   0.716
  204    HA   ARG  31           HA       ARG  31   9.001  -1.602  -1.183
  205   1HB   ARG  31           HB2      ARG  31  10.540  -3.656  -2.779
  206   2HB   ARG  31           HB1      ARG  31  10.378  -1.928  -3.093
  207   1HG   ARG  31           HG2      ARG  31  11.592  -2.770  -0.491
  208   2HG   ARG  31           HG1      ARG  31  12.571  -2.916  -1.950
  209   1HD   ARG  31           HD2      ARG  31  11.362  -0.403  -2.170
  210   2HD   ARG  31           HD1      ARG  31  11.824  -0.525  -0.473
  211    HE   ARG  31           HE       ARG  31  13.812  -1.074  -2.636
  212   1HH1  ARG  31          HH11      ARG  31  13.354  -0.485   0.626
  213   2HH1  ARG  31          HH12      ARG  31  14.595   0.715   0.770
  214   1HH2  ARG  31          HH21      ARG  31  15.157   0.919  -2.649
  215   2HH2  ARG  31          HH22      ARG  31  15.617   1.511  -1.087
  216    H    LYS  32           HN       LYS  32   7.054  -3.546  -0.441
  217    HA   LYS  32           HA       LYS  32   5.903  -4.122  -3.133
  218   1HB   LYS  32           HB2      LYS  32   5.688  -5.980  -0.746
  219   2HB   LYS  32           HB1      LYS  32   5.083  -6.276  -2.378
  220   1HG   LYS  32           HG2      LYS  32   8.009  -5.770  -1.798
  221   2HG   LYS  32           HG1      LYS  32   7.308  -7.390  -1.810
  222   1HD   LYS  32           HD2      LYS  32   6.566  -7.080  -4.125
  223   2HD   LYS  32           HD1      LYS  32   7.190  -5.429  -4.120
  224   1HE   LYS  32           HE2      LYS  32   9.361  -6.107  -4.335
  225   2HE   LYS  32           HE1      LYS  32   9.123  -7.528  -3.317
  226   1HZ   LYS  32           HZ1      LYS  32   7.588  -8.020  -5.510
  227   2HZ   LYS  32           HZ3      LYS  32   8.968  -7.282  -6.164
  228   3HZ   LYS  32           HZ2      LYS  32   9.126  -8.676  -5.204
  229    H    CYS  33           HN       CYS  33   4.422  -2.425  -3.043
  230    HA   CYS  33           HA       CYS  33   2.900  -1.767  -0.681
  231   1HB   CYS  33           HB2      CYS  33   3.354  -0.257  -2.692
  232   2HB   CYS  33           HB1      CYS  33   2.101  -1.166  -3.537
  233    H    LYS  34           HN       LYS  34   1.465  -3.195   0.175
  234    HA   LYS  34           HA       LYS  34  -0.290  -4.700  -1.725
  235   1HB   LYS  34           HB2      LYS  34   1.461  -5.811   0.069
  236   2HB   LYS  34           HB1      LYS  34  -0.027  -5.762   1.015
  237   1HG   LYS  34           HG2      LYS  34  -1.192  -7.116  -0.513
  238   2HG   LYS  34           HG1      LYS  34  -0.044  -6.795  -1.814
  239   1HD   LYS  34           HD2      LYS  34   0.511  -8.980  -1.111
  240   2HD   LYS  34           HD1      LYS  34   1.695  -7.964  -0.290
  241   1HE   LYS  34           HE2      LYS  34   0.510  -8.079   1.776
  242   2HE   LYS  34           HE1      LYS  34  -0.924  -8.752   0.999
  243   1HZ   LYS  34           HZ2      LYS  34   0.986 -10.514   0.308
  244   2HZ   LYS  34           HZ1      LYS  34   1.488 -10.068   1.869
  245   3HZ   LYS  34           HZ3      LYS  34  -0.066 -10.701   1.629
  246    H    CYS  35           HN       CYS  35  -2.371  -4.038  -1.614
  247    HA   CYS  35           HA       CYS  35  -3.266  -2.335   0.600
  248   1HB   CYS  35           HB2      CYS  35  -4.771  -3.428  -1.798
  249   2HB   CYS  35           HB1      CYS  35  -5.372  -2.196  -0.689
  250    H    PHE  36           HN       PHE  36  -5.375  -2.859   1.711
  251    HA   PHE  36           HA       PHE  36  -5.643  -5.809   2.140
  252   1HB   PHE  36           HB2      PHE  36  -5.484  -3.541   4.101
  253   2HB   PHE  36           HB1      PHE  36  -6.425  -4.975   4.514
  254    HD1  PHE  36           HD1      PHE  36  -3.103  -4.126   2.976
  255    HD2  PHE  36           HD2      PHE  36  -5.313  -6.695   5.616
  256    HE1  PHE  36           HE1      PHE  36  -1.014  -5.333   3.548
  257    HE2  PHE  36           HE2      PHE  36  -3.223  -7.903   6.189
  258    HZ   PHE  36           HZ       PHE  36  -1.075  -7.222   5.155
  259    H    GLY  37           HN       GLY  37  -7.268  -5.008   0.261
  260   1HA   GLY  37           HA2      GLY  37  -9.611  -3.581   0.794
  261   2HA   GLY  37           HA1      GLY  37  -9.554  -4.967  -0.297
  262    H    ARG  38           HN       ARG  38  -8.820  -6.919   1.686
  263    HA   ARG  38           HA       ARG  38 -10.431  -6.982   3.992
  264   1HB   ARG  38           HB2      ARG  38 -12.323  -8.447   3.111
  265   2HB   ARG  38           HB1      ARG  38 -12.405  -6.745   2.650
  266   1HG   ARG  38           HG2      ARG  38 -11.991  -7.184   0.445
  267   2HG   ARG  38           HG1      ARG  38 -10.878  -8.501   0.813
  268   1HD   ARG  38           HD2      ARG  38 -12.526  -9.941   0.283
  269   2HD   ARG  38           HD1      ARG  38 -13.385  -9.388   1.721
  270    HE   ARG  38           HE       ARG  38 -14.738  -7.981   0.328
  271   1HH1  ARG  38          HH11      ARG  38 -12.206  -7.494  -1.496
  272   2HH1  ARG  38          HH12      ARG  38 -12.840  -8.063  -3.005
  273   1HH2  ARG  38          HH21      ARG  38 -15.573  -9.638  -1.565
  274   2HH2  ARG  38          HH22      ARG  38 -14.744  -9.282  -3.042
   
  No H/Q in entry =         274
  Start of MODEL    7
    1   1H    THR   4           HT3      THR   4   2.532  -2.928  -9.786
    2   2H    THR   4           HT2      THR   4   3.993  -3.703 -10.174
    3   3H    THR   4           HT1      THR   4   2.709  -4.590  -9.502
    4    HA   THR   4           HA       THR   4   2.942  -3.591  -7.409
    5    HB   THR   4           HB       THR   4   5.552  -3.810  -7.107
    6    HG1  THR   4           HG1      THR   4   5.394  -5.285  -9.448
    7   1HG2  THR   4          HG22      THR   4   3.592  -5.493  -6.695
    8   2HG2  THR   4          HG21      THR   4   4.176  -6.260  -8.171
    9   3HG2  THR   4          HG23      THR   4   5.244  -6.105  -6.777
   10    H    ILE   5           HN       ILE   5   4.659  -2.095  -6.138
   11    HA   ILE   5           HA       ILE   5   5.201   0.361  -7.729
   12    HB   ILE   5           HB       ILE   5   4.030   0.798  -5.033
   13   1HG1  ILE   5          HG12      ILE   5   2.285   0.101  -7.417
   14   2HG1  ILE   5          HG11      ILE   5   2.567  -0.975  -6.048
   15   1HG2  ILE   5          HG23      ILE   5   3.947   2.112  -7.749
   16   2HG2  ILE   5          HG22      ILE   5   2.877   2.622  -6.443
   17   3HG2  ILE   5          HG21      ILE   5   4.625   2.741  -6.247
   18   1HD1  ILE   5          HD11      ILE   5   1.733   1.771  -5.330
   19   2HD1  ILE   5          HD13      ILE   5   0.512   0.813  -6.167
   20   3HD1  ILE   5          HD12      ILE   5   1.214   0.225  -4.660
   21    H    SER   6           HN       SER   6   6.740   1.792  -6.666
   22    HA   SER   6           HA       SER   6   8.586   0.299  -4.889
   23   1HB   SER   6           HB2      SER   6   8.801   2.671  -6.691
   24   2HB   SER   6           HB1      SER   6   9.881   2.605  -5.302
   25    HG   SER   6           HG       SER   6   9.517   0.390  -7.015
   26    H    CYS   7           HN       CYS   7   7.030   0.489  -3.061
   27    HA   CYS   7           HA       CYS   7   6.793   3.238  -1.958
   28   1HB   CYS   7           HB2      CYS   7   5.057   2.374  -0.539
   29   2HB   CYS   7           HB1      CYS   7   4.765   1.727  -2.154
   30    H    THR   8           HN       THR   8   7.832   3.842  -0.117
   31    HA   THR   8           HA       THR   8   9.437   1.753   1.306
   32    HB   THR   8           HB       THR   8  10.846   3.409   0.088
   33    HG1  THR   8           HG1      THR   8  12.136   3.805   1.815
   34   1HG2  THR   8          HG22      THR   8   8.903   5.226   1.253
   35   2HG2  THR   8          HG21      THR   8  10.550   5.718   1.646
   36   3HG2  THR   8          HG23      THR   8  10.068   5.518  -0.038
   37    H    ASN   9           HN       ASN   9   6.679   3.349   1.561
   38    HA   ASN   9           HA       ASN   9   6.654   3.287   4.475
   39   1HB   ASN   9           HB2      ASN   9   6.492   5.911   2.959
   40   2HB   ASN   9           HB1      ASN   9   5.919   5.723   4.615
   41   1HD2  ASN   9          HD22      ASN   9   9.196   5.537   6.012
   42   2HD2  ASN   9          HD21      ASN   9   7.552   5.219   6.292
   43    HA   PRO  10           HA       PRO  10   2.398   2.620   3.598
   44   1HB   PRO  10           HB2      PRO  10   1.240   3.595   5.890
   45   2HB   PRO  10           HB1      PRO  10   2.109   2.051   5.812
   46   1HG   PRO  10           HG2      PRO  10   2.977   4.647   7.002
   47   2HG   PRO  10           HG1      PRO  10   3.472   2.999   7.424
   48   1HD   PRO  10           HD2      PRO  10   4.975   4.822   5.884
   49   2HD   PRO  10           HD1      PRO  10   5.277   3.076   6.009
   50    H    LYS  11           HN       LYS  11   3.379   5.844   4.529
   51    HA   LYS  11           HA       LYS  11   1.046   7.343   4.157
   52   1HB   LYS  11           HB2      LYS  11   3.579   8.008   4.692
   53   2HB   LYS  11           HB1      LYS  11   3.573   8.409   2.974
   54   1HG   LYS  11           HG2      LYS  11   1.698   9.909   3.265
   55   2HG   LYS  11           HG1      LYS  11   1.495   9.403   4.942
   56   1HD   LYS  11           HD2      LYS  11   4.207  10.213   4.616
   57   2HD   LYS  11           HD1      LYS  11   3.190  11.468   3.909
   58   1HE   LYS  11           HE2      LYS  11   2.004  10.569   6.371
   59   2HE   LYS  11           HE1      LYS  11   3.689  11.002   6.661
   60   1HZ   LYS  11           HZ3      LYS  11   2.126  12.803   4.986
   61   2HZ   LYS  11           HZ2      LYS  11   1.751  12.783   6.643
   62   3HZ   LYS  11           HZ1      LYS  11   3.328  13.155   6.131
   63    H    GLN  12           HN       GLN  12   3.137   5.896   1.705
   64    HA   GLN  12           HA       GLN  12   1.778   7.288  -0.488
   65   1HB   GLN  12           HB2      GLN  12   4.075   5.482  -0.185
   66   2HB   GLN  12           HB1      GLN  12   3.125   5.172  -1.638
   67   1HG   GLN  12           HG2      GLN  12   3.720   8.021  -0.996
   68   2HG   GLN  12           HG1      GLN  12   5.063   7.032  -1.572
   69   1HE2  GLN  12          HE22      GLN  12   3.625   8.266  -4.690
   70   2HE2  GLN  12          HE21      GLN  12   4.645   8.789  -3.437
   71    H    CYS  13           HN       CYS  13   1.671   4.069   0.998
   72    HA   CYS  13           HA       CYS  13  -0.265   3.096  -0.966
   73   1HB   CYS  13           HB2      CYS  13   0.758   1.963   1.650
   74   2HB   CYS  13           HB1      CYS  13  -0.426   1.139   0.632
   75    H    TYR  14           HN       TYR  14  -0.458   5.192   1.642
   76    HA   TYR  14           HA       TYR  14  -2.907   4.372   2.856
   77   1HB   TYR  14           HB2      TYR  14  -1.195   6.770   2.823
   78   2HB   TYR  14           HB1      TYR  14  -2.901   7.105   3.086
   79    HD1  TYR  14           HD2      TYR  14  -1.549   3.851   4.056
   80    HD2  TYR  14           HD1      TYR  14  -2.411   7.835   5.411
   81    HE1  TYR  14           HE2      TYR  14  -1.306   3.103   6.408
   82    HE2  TYR  14           HE1      TYR  14  -2.165   7.087   7.763
   83    HH   TYR  14           HH       TYR  14  -2.458   4.432   8.887
   84    HA   PRO  15           HA       PRO  15  -4.987   7.201  -0.386
   85   1HB   PRO  15           HB2      PRO  15  -3.340   8.245  -2.338
   86   2HB   PRO  15           HB1      PRO  15  -3.799   9.102  -0.853
   87   1HG   PRO  15           HG2      PRO  15  -1.191   7.887  -1.590
   88   2HG   PRO  15           HG1      PRO  15  -1.551   9.125  -0.386
   89   1HD   PRO  15           HD2      PRO  15  -1.031   6.387   0.164
   90   2HD   PRO  15           HD1      PRO  15  -1.638   7.607   1.296
   91    H    HIS  16           HN       HIS  16  -2.178   5.505  -1.818
   92    HA   HIS  16           HA       HIS  16  -3.333   4.738  -4.263
   93   1HB   HIS  16           HB2      HIS  16  -1.003   4.264  -3.858
   94   2HB   HIS  16           HB1      HIS  16  -1.396   3.245  -2.473
   95    HD1  HIS  16           HD1      HIS  16  -3.093   3.189  -5.871
   96    HD2  HIS  16           HD2      HIS  16  -0.702   0.741  -3.491
   97    HE1  HIS  16           HE1      HIS  16  -2.988   0.942  -7.034
   98    H    CYS  17           HN       CYS  17  -3.648   3.231  -1.062
   99    HA   CYS  17           HA       CYS  17  -5.316   1.062  -2.091
  100   1HB   CYS  17           HB2      CYS  17  -4.721   2.003   0.730
  101   2HB   CYS  17           HB1      CYS  17  -5.666   0.565   0.345
  102    H    LYS  18           HN       LYS  18  -5.817   4.223  -0.626
  103    HA   LYS  18           HA       LYS  18  -8.528   4.008   0.119
  104   1HB   LYS  18           HB2      LYS  18  -7.072   5.991   0.557
  105   2HB   LYS  18           HB1      LYS  18  -7.201   6.421  -1.149
  106   1HG   LYS  18           HG2      LYS  18  -9.265   7.296  -0.873
  107   2HG   LYS  18           HG1      LYS  18  -9.810   5.898   0.055
  108   1HD   LYS  18           HD2      LYS  18  -7.887   7.530   1.533
  109   2HD   LYS  18           HD1      LYS  18  -9.333   8.435   1.083
  110   1HE   LYS  18           HE2      LYS  18  -9.917   5.728   2.055
  111   2HE   LYS  18           HE1      LYS  18  -9.135   6.749   3.261
  112   1HZ   LYS  18           HZ1      LYS  18 -11.191   8.094   1.770
  113   2HZ   LYS  18           HZ3      LYS  18 -11.772   6.774   2.661
  114   3HZ   LYS  18           HZ2      LYS  18 -10.934   8.026   3.448
  115    H    LYS  19           HN       LYS  19  -7.094   4.372  -3.079
  116    HA   LYS  19           HA       LYS  19  -9.807   4.651  -4.266
  117   1HB   LYS  19           HB2      LYS  19  -7.018   5.181  -5.217
  118   2HB   LYS  19           HB1      LYS  19  -8.256   4.806  -6.417
  119   1HG   LYS  19           HG2      LYS  19  -9.350   6.662  -4.525
  120   2HG   LYS  19           HG1      LYS  19  -7.804   7.287  -5.099
  121   1HD   LYS  19           HD2      LYS  19  -8.500   7.194  -7.380
  122   2HD   LYS  19           HD1      LYS  19  -9.914   6.216  -6.983
  123   1HE   LYS  19           HE2      LYS  19 -10.875   8.095  -5.718
  124   2HE   LYS  19           HE1      LYS  19  -9.453   9.074  -6.079
  125   1HZ   LYS  19           HZ2      LYS  19 -11.273   7.905  -8.116
  126   2HZ   LYS  19           HZ1      LYS  19 -11.315   9.521  -7.588
  127   3HZ   LYS  19           HZ3      LYS  19  -9.954   8.935  -8.413
  128    H    GLU  20           HN       GLU  20  -7.413   2.277  -3.650
  129    HA   GLU  20           HA       GLU  20  -8.007   0.561  -5.900
  130   1HB   GLU  20           HB2      GLU  20  -6.475   0.301  -3.347
  131   2HB   GLU  20           HB1      GLU  20  -6.948  -1.175  -4.189
  132   1HG   GLU  20           HG2      GLU  20  -5.716   1.036  -5.788
  133   2HG   GLU  20           HG1      GLU  20  -4.664   0.045  -4.776
  134    H    THR  21           HN       THR  21  -8.714   0.144  -2.410
  135    HA   THR  21           HA       THR  21 -11.255  -1.207  -3.231
  136    HB   THR  21           HB       THR  21  -9.640  -2.860  -2.378
  137    HG1  THR  21           HG1      THR  21 -10.979  -3.259  -0.306
  138   1HG2  THR  21          HG22      THR  21  -8.850  -0.774  -0.704
  139   2HG2  THR  21          HG21      THR  21  -9.625  -1.927   0.381
  140   3HG2  THR  21          HG23      THR  21  -8.276  -2.440  -0.632
  141    H    GLY  22           HN       GLY  22 -10.361   1.599  -2.182
  142   1HA   GLY  22           HA2      GLY  22 -11.582   3.243  -1.016
  143   2HA   GLY  22           HA1      GLY  22 -12.708   1.987  -0.512
  144    H    TYR  23           HN       TYR  23  -9.880   0.635   0.254
  145    HA   TYR  23           HA       TYR  23 -10.041   1.603   3.049
  146   1HB   TYR  23           HB2      TYR  23  -8.500  -0.733   1.877
  147   2HB   TYR  23           HB1      TYR  23  -8.695  -0.377   3.593
  148    HD1  TYR  23           HD2      TYR  23 -11.687   0.683   2.861
  149    HD2  TYR  23           HD1      TYR  23  -9.518  -2.996   2.402
  150    HE1  TYR  23           HE2      TYR  23 -13.822  -0.576   2.881
  151    HE2  TYR  23           HE1      TYR  23 -11.655  -4.256   2.422
  152    HH   TYR  23           HH       TYR  23 -14.647  -2.787   3.305
  153    HA   PRO  24           HA       PRO  24  -6.357   3.962   2.082
  154   1HB   PRO  24           HB2      PRO  24  -6.299   5.296   4.488
  155   2HB   PRO  24           HB1      PRO  24  -7.345   5.762   3.135
  156   1HG   PRO  24           HG2      PRO  24  -8.068   4.390   5.681
  157   2HG   PRO  24           HG1      PRO  24  -9.068   5.408   4.633
  158   1HD   PRO  24           HD2      PRO  24  -9.130   2.581   4.742
  159   2HD   PRO  24           HD1      PRO  24  -9.868   3.593   3.482
  160    H    ASN  25           HN       ASN  25  -6.926   2.042   4.991
  161    HA   ASN  25           HA       ASN  25  -4.305   2.055   6.071
  162   1HB   ASN  25           HB2      ASN  25  -6.701   0.339   6.282
  163   2HB   ASN  25           HB1      ASN  25  -5.176  -0.472   6.642
  164   1HD2  ASN  25          HD22      ASN  25  -5.539   0.844   9.915
  165   2HD2  ASN  25          HD21      ASN  25  -5.535  -0.555   8.954
  166    H    ALA  26           HN       ALA  26  -2.501   0.713   5.685
  167    HA   ALA  26           HA       ALA  26  -2.499  -1.518   3.888
  168   1HB   ALA  26           HB2      ALA  26  -2.685   0.895   2.532
  169   2HB   ALA  26           HB1      ALA  26  -0.955   0.553   2.506
  170   3HB   ALA  26           HB3      ALA  26  -2.096  -0.620   1.849
  171    H    LYS  27           HN       LYS  27  -0.264  -2.316   3.537
  172    HA   LYS  27           HA       LYS  27   1.746  -0.988   5.299
  173   1HB   LYS  27           HB2      LYS  27   1.315  -3.982   5.187
  174   2HB   LYS  27           HB1      LYS  27   2.338  -3.084   6.311
  175   1HG   LYS  27           HG2      LYS  27  -0.186  -1.921   6.600
  176   2HG   LYS  27           HG1      LYS  27  -0.516  -3.649   6.465
  177   1HD   LYS  27           HD2      LYS  27   1.748  -2.820   8.225
  178   2HD   LYS  27           HD1      LYS  27   0.110  -2.517   8.810
  179   1HE   LYS  27           HE2      LYS  27  -0.319  -4.729   9.118
  180   2HE   LYS  27           HE1      LYS  27   0.497  -5.189   7.624
  181   1HZ   LYS  27           HZ2      LYS  27   2.629  -4.732   8.803
  182   2HZ   LYS  27           HZ1      LYS  27   1.741  -4.572  10.243
  183   3HZ   LYS  27           HZ3      LYS  27   1.754  -6.053   9.417
  184    H    CYS  28           HN       CYS  28   3.911  -1.255   4.616
  185    HA   CYS  28           HA       CYS  28   4.227  -2.490   1.905
  186   1HB   CYS  28           HB2      CYS  28   5.340   0.015   3.125
  187   2HB   CYS  28           HB1      CYS  28   6.312  -0.850   1.936
  188    H    MET  29           HN       MET  29   5.752  -4.102   1.751
  189    HA   MET  29           HA       MET  29   7.765  -4.331   3.935
  190   1HB   MET  29           HB2      MET  29   7.220  -6.959   3.457
  191   2HB   MET  29           HB1      MET  29   6.498  -6.035   4.774
  192   1HG   MET  29           HG2      MET  29   4.518  -5.593   3.489
  193   2HG   MET  29           HG1      MET  29   5.262  -6.209   2.015
  194   1HE   MET  29           HE2      MET  29   2.783  -6.777   4.453
  195   2HE   MET  29           HE1      MET  29   2.456  -7.210   2.777
  196   3HE   MET  29           HE3      MET  29   2.324  -8.430   4.051
  197    H    ASN  30           HN       ASN  30   9.736  -5.235   3.278
  198    HA   ASN  30           HA       ASN  30  11.456  -5.468   1.678
  199   1HB   ASN  30           HB2      ASN  30  11.152  -7.475   0.295
  200   2HB   ASN  30           HB1      ASN  30  10.558  -7.762   1.932
  201   1HD2  ASN  30          HD22      ASN  30   7.184  -8.176   0.927
  202   2HD2  ASN  30          HD21      ASN  30   8.253  -8.018   2.236
  203    H    ARG  31           HN       ARG  31  10.343  -3.182   0.962
  204    HA   ARG  31           HA       ARG  31   9.854  -1.764  -0.847
  205   1HB   ARG  31           HB2      ARG  31  11.364  -4.019  -2.191
  206   2HB   ARG  31           HB1      ARG  31  10.871  -2.558  -3.047
  207   1HG   ARG  31           HG2      ARG  31  12.422  -2.391  -0.465
  208   2HG   ARG  31           HG1      ARG  31  13.246  -2.607  -2.009
  209   1HD   ARG  31           HD2      ARG  31  11.273  -0.545  -2.301
  210   2HD   ARG  31           HD1      ARG  31  12.264  -0.187  -0.888
  211    HE   ARG  31           HE       ARG  31  13.128   0.117  -3.573
  212   1HH1  ARG  31          HH11      ARG  31  14.976  -1.804  -3.768
  213   2HH1  ARG  31          HH12      ARG  31  16.289  -1.424  -2.704
  214   1HH2  ARG  31          HH21      ARG  31  14.451   0.837  -0.820
  215   2HH2  ARG  31          HH22      ARG  31  15.992   0.076  -1.034
  216    H    LYS  32           HN       LYS  32   7.715  -3.459  -0.079
  217    HA   LYS  32           HA       LYS  32   6.373  -3.755  -2.724
  218   1HB   LYS  32           HB2      LYS  32   7.185  -5.931  -1.141
  219   2HB   LYS  32           HB1      LYS  32   5.452  -5.773  -0.855
  220   1HG   LYS  32           HG2      LYS  32   4.920  -6.383  -2.980
  221   2HG   LYS  32           HG1      LYS  32   6.252  -5.459  -3.678
  222   1HD   LYS  32           HD2      LYS  32   7.205  -7.722  -2.102
  223   2HD   LYS  32           HD1      LYS  32   6.146  -8.232  -3.416
  224   1HE   LYS  32           HE2      LYS  32   7.538  -6.672  -4.915
  225   2HE   LYS  32           HE1      LYS  32   8.705  -6.639  -3.593
  226   1HZ   LYS  32           HZ2      LYS  32   8.328  -9.232  -3.751
  227   2HZ   LYS  32           HZ1      LYS  32   7.960  -8.839  -5.361
  228   3HZ   LYS  32           HZ3      LYS  32   9.475  -8.433  -4.715
  229    H    CYS  33           HN       CYS  33   3.987  -3.705  -2.521
  230    HA   CYS  33           HA       CYS  33   3.080  -2.426   0.025
  231   1HB   CYS  33           HB2      CYS  33   3.373  -0.689  -1.697
  232   2HB   CYS  33           HB1      CYS  33   2.339  -1.598  -2.799
  233    H    LYS  34           HN       LYS  34   0.947  -2.940   0.646
  234    HA   LYS  34           HA       LYS  34  -0.738  -4.560  -1.128
  235   1HB   LYS  34           HB2      LYS  34   1.066  -5.987   0.308
  236   2HB   LYS  34           HB1      LYS  34  -0.246  -5.886   1.483
  237   1HG   LYS  34           HG2      LYS  34  -1.124  -7.659   0.372
  238   2HG   LYS  34           HG1      LYS  34  -1.603  -6.469  -0.839
  239   1HD   LYS  34           HD2      LYS  34   0.250  -6.943  -2.219
  240   2HD   LYS  34           HD1      LYS  34   1.136  -7.727  -0.909
  241   1HE   LYS  34           HE2      LYS  34  -0.181  -9.672  -1.013
  242   2HE   LYS  34           HE1      LYS  34  -1.493  -8.850  -1.858
  243   1HZ   LYS  34           HZ2      LYS  34   0.911  -8.673  -3.343
  244   2HZ   LYS  34           HZ1      LYS  34   0.570 -10.298  -2.984
  245   3HZ   LYS  34           HZ3      LYS  34  -0.580  -9.352  -3.796
  246    H    CYS  35           HN       CYS  35  -2.767  -3.833  -0.762
  247    HA   CYS  35           HA       CYS  35  -3.363  -2.271   1.640
  248   1HB   CYS  35           HB2      CYS  35  -5.329  -3.178  -0.476
  249   2HB   CYS  35           HB1      CYS  35  -5.456  -1.777   0.589
  250    H    PHE  36           HN       PHE  36  -5.379  -2.808   2.933
  251    HA   PHE  36           HA       PHE  36  -5.285  -5.661   3.677
  252   1HB   PHE  36           HB2      PHE  36  -6.312  -3.145   4.915
  253   2HB   PHE  36           HB1      PHE  36  -7.086  -4.658   5.386
  254    HD1  PHE  36           HD1      PHE  36  -5.398  -6.649   5.908
  255    HD2  PHE  36           HD2      PHE  36  -4.402  -2.476   6.078
  256    HE1  PHE  36           HE1      PHE  36  -3.493  -7.165   7.410
  257    HE2  PHE  36           HE2      PHE  36  -2.497  -2.991   7.579
  258    HZ   PHE  36           HZ       PHE  36  -2.042  -5.335   8.245
  259    H    GLY  37           HN       GLY  37  -6.391  -5.393   1.157
  260   1HA   GLY  37           HA2      GLY  37  -8.581  -6.905   0.952
  261   2HA   GLY  37           HA1      GLY  37  -9.335  -5.404   1.493
  262    H    ARG  38           HN       ARG  38  -6.850  -6.348  -0.911
  263    HA   ARG  38           HA       ARG  38  -7.019  -4.240  -2.677
  264   1HB   ARG  38           HB2      ARG  38  -7.022  -7.137  -3.571
  265   2HB   ARG  38           HB1      ARG  38  -6.366  -5.756  -4.449
  266   1HG   ARG  38           HG2      ARG  38  -4.414  -5.903  -3.339
  267   2HG   ARG  38           HG1      ARG  38  -5.244  -5.871  -1.784
  268   1HD   ARG  38           HD2      ARG  38  -4.642  -8.279  -3.513
  269   2HD   ARG  38           HD1      ARG  38  -4.094  -7.965  -1.866
  270    HE   ARG  38           HE       ARG  38  -6.914  -7.991  -1.787
  271   1HH1  ARG  38          HH21      ARG  38  -4.487  -9.869  -0.762
  272   2HH1  ARG  38          HH22      ARG  38  -5.224 -11.404  -1.085
  273   1HH2  ARG  38          HH11      ARG  38  -7.801 -10.063  -2.982
  274   2HH2  ARG  38          HH12      ARG  38  -7.103 -11.513  -2.339
   
  No H/Q in entry =         274
  Start of MODEL    8
    1   1H    THR   4           HT2      THR   4   5.813  -3.226  -9.928
    2   2H    THR   4           HT1      THR   4   6.978  -3.680  -8.776
    3   3H    THR   4           HT3      THR   4   5.745  -4.762  -9.207
    4    HA   THR   4           HA       THR   4   4.081  -3.381  -8.210
    5    HB   THR   4           HB       THR   4   4.782  -3.585  -5.879
    6    HG1  THR   4           HG1      THR   4   6.806  -2.724  -5.936
    7   1HG2  THR   4          HG21      THR   4   4.386  -5.635  -7.379
    8   2HG2  THR   4          HG23      THR   4   6.139  -5.817  -7.392
    9   3HG2  THR   4          HG22      THR   4   5.255  -5.910  -5.870
   10    H    ILE   5           HN       ILE   5   5.141  -1.764  -5.854
   11    HA   ILE   5           HA       ILE   5   5.770   0.725  -7.393
   12    HB   ILE   5           HB       ILE   5   4.413   0.880  -4.738
   13   1HG1  ILE   5          HG12      ILE   5   2.904   0.284  -7.301
   14   2HG1  ILE   5          HG11      ILE   5   3.199  -0.910  -6.037
   15   1HG2  ILE   5          HG23      ILE   5   5.052   2.599  -6.912
   16   2HG2  ILE   5          HG22      ILE   5   3.294   2.489  -6.828
   17   3HG2  ILE   5          HG21      ILE   5   4.212   3.010  -5.416
   18   1HD1  ILE   5          HD11      ILE   5   2.211   1.173  -4.570
   19   2HD1  ILE   5          HD13      ILE   5   1.310   1.358  -6.075
   20   3HD1  ILE   5          HD12      ILE   5   1.229  -0.160  -5.179
   21    H    SER   6           HN       SER   6   6.673   2.447  -5.727
   22    HA   SER   6           HA       SER   6   8.718   1.053  -4.045
   23   1HB   SER   6           HB2      SER   6   9.264   2.634  -6.173
   24   2HB   SER   6           HB1      SER   6   9.180   3.860  -4.910
   25    HG   SER   6           HG       SER   6  10.573   2.221  -3.728
   26    H    CYS   7           HN       CYS   7   8.247   1.324  -1.900
   27    HA   CYS   7           HA       CYS   7   7.533   4.009  -0.933
   28   1HB   CYS   7           HB2      CYS   7   5.477   3.217   0.204
   29   2HB   CYS   7           HB1      CYS   7   5.344   3.096  -1.551
   30    H    THR   8           HN       THR   8   8.942   4.216   0.735
   31    HA   THR   8           HA       THR   8   9.769   1.865   2.310
   32    HB   THR   8           HB       THR   8  11.371   3.301   3.323
   33    HG1  THR   8           HG1      THR   8   9.557   5.312   2.559
   34   1HG2  THR   8          HG22      THR   8  10.848   4.222   0.489
   35   2HG2  THR   8          HG21      THR   8  12.298   4.648   1.398
   36   3HG2  THR   8          HG23      THR   8  11.962   2.959   1.015
   37    H    ASN   9           HN       ASN   9   7.380   4.311   2.379
   38    HA   ASN   9           HA       ASN   9   6.728   3.625   5.217
   39   1HB   ASN   9           HB2      ASN   9   6.991   6.221   3.840
   40   2HB   ASN   9           HB1      ASN   9   5.510   6.052   4.780
   41   1HD2  ASN   9          HD22      ASN   9   7.560   7.143   7.489
   42   2HD2  ASN   9          HD21      ASN   9   6.371   7.619   6.375
   43    HA   PRO  10           HA       PRO  10   2.687   2.603   3.807
   44   1HB   PRO  10           HB2      PRO  10   1.097   3.667   5.776
   45   2HB   PRO  10           HB1      PRO  10   2.089   2.215   5.996
   46   1HG   PRO  10           HG2      PRO  10   2.534   4.975   7.032
   47   2HG   PRO  10           HG1      PRO  10   3.094   3.428   7.688
   48   1HD   PRO  10           HD2      PRO  10   4.656   5.261   6.205
   49   2HD   PRO  10           HD1      PRO  10   5.093   3.581   6.578
   50    H    LYS  11           HN       LYS  11   3.201   6.000   4.564
   51    HA   LYS  11           HA       LYS  11   0.867   7.231   3.730
   52   1HB   LYS  11           HB2      LYS  11   3.755   7.966   3.500
   53   2HB   LYS  11           HB1      LYS  11   2.582   8.944   2.619
   54   1HG   LYS  11           HG2      LYS  11   1.923   9.963   4.515
   55   2HG   LYS  11           HG1      LYS  11   1.613   8.408   5.288
   56   1HD   LYS  11           HD2      LYS  11   3.829   8.239   6.100
   57   2HD   LYS  11           HD1      LYS  11   4.417   9.487   5.000
   58   1HE   LYS  11           HE2      LYS  11   4.209  10.841   6.821
   59   2HE   LYS  11           HE1      LYS  11   2.507  10.874   6.360
   60   1HZ   LYS  11           HZ1      LYS  11   2.195   8.896   7.806
   61   2HZ   LYS  11           HZ3      LYS  11   3.791   9.087   8.349
   62   3HZ   LYS  11           HZ2      LYS  11   2.641  10.302   8.650
   63    H    GLN  12           HN       GLN  12   3.149   5.477   1.752
   64    HA   GLN  12           HA       GLN  12   2.153   6.522  -0.782
   65   1HB   GLN  12           HB2      GLN  12   3.771   4.031  -0.155
   66   2HB   GLN  12           HB1      GLN  12   3.460   4.650  -1.777
   67   1HG   GLN  12           HG2      GLN  12   5.015   6.005   0.441
   68   2HG   GLN  12           HG1      GLN  12   5.622   5.473  -1.127
   69   1HE2  GLN  12          HE22      GLN  12   3.784   9.080  -0.806
   70   2HE2  GLN  12          HE21      GLN  12   3.973   8.066   0.542
   71    H    CYS  13           HN       CYS  13   1.632   3.537   1.094
   72    HA   CYS  13           HA       CYS  13  -0.316   2.510  -0.819
   73   1HB   CYS  13           HB2      CYS  13   0.454   1.671   1.989
   74   2HB   CYS  13           HB1      CYS  13  -0.751   0.825   1.018
   75    H    TYR  14           HN       TYR  14  -0.440   4.907   1.569
   76    HA   TYR  14           HA       TYR  14  -3.036   4.427   2.654
   77   1HB   TYR  14           HB2      TYR  14  -1.084   6.627   2.605
   78   2HB   TYR  14           HB1      TYR  14  -2.758   7.153   2.714
   79    HD1  TYR  14           HD1      TYR  14  -1.544   3.902   3.974
   80    HD2  TYR  14           HD2      TYR  14  -2.665   7.915   5.018
   81    HE1  TYR  14           HE1      TYR  14  -1.566   3.272   6.372
   82    HE2  TYR  14           HE2      TYR  14  -2.686   7.285   7.417
   83    HH   TYR  14           HH       TYR  14  -3.025   5.019   8.716
   84    HA   PRO  15           HA       PRO  15  -4.658   7.225  -0.850
   85   1HB   PRO  15           HB2      PRO  15  -2.829   8.032  -2.749
   86   2HB   PRO  15           HB1      PRO  15  -3.281   8.992  -1.329
   87   1HG   PRO  15           HG2      PRO  15  -0.754   7.536  -1.879
   88   2HG   PRO  15           HG1      PRO  15  -1.072   8.838  -0.730
   89   1HD   PRO  15           HD2      PRO  15  -0.828   6.069  -0.093
   90   2HD   PRO  15           HD1      PRO  15  -1.341   7.379   0.985
   91    H    HIS  16           HN       HIS  16  -1.936   5.247  -2.039
   92    HA   HIS  16           HA       HIS  16  -3.079   4.455  -4.504
   93   1HB   HIS  16           HB2      HIS  16  -0.737   4.006  -3.957
   94   2HB   HIS  16           HB1      HIS  16  -1.227   2.911  -2.663
   95    HD1  HIS  16           HD1      HIS  16  -2.630   3.130  -6.197
   96    HD2  HIS  16           HD2      HIS  16  -0.600   0.433  -3.749
   97    HE1  HIS  16           HE1      HIS  16  -2.503   0.951  -7.482
   98    H    CYS  17           HN       CYS  17  -3.339   2.935  -1.277
   99    HA   CYS  17           HA       CYS  17  -5.079   0.818  -2.262
  100   1HB   CYS  17           HB2      CYS  17  -4.310   1.774   0.499
  101   2HB   CYS  17           HB1      CYS  17  -5.496   0.494   0.255
  102    H    LYS  18           HN       LYS  18  -5.551   4.020  -0.869
  103    HA   LYS  18           HA       LYS  18  -8.288   3.783  -0.165
  104   1HB   LYS  18           HB2      LYS  18  -6.627   5.754   0.210
  105   2HB   LYS  18           HB1      LYS  18  -7.160   6.294  -1.383
  106   1HG   LYS  18           HG2      LYS  18  -9.565   5.827  -0.336
  107   2HG   LYS  18           HG1      LYS  18  -8.700   6.115   1.174
  108   1HD   LYS  18           HD2      LYS  18  -8.255   8.324   0.660
  109   2HD   LYS  18           HD1      LYS  18  -8.264   8.031  -1.080
  110   1HE   LYS  18           HE2      LYS  18 -10.828   7.429  -0.545
  111   2HE   LYS  18           HE1      LYS  18 -10.540   8.577   0.762
  112   1HZ   LYS  18           HZ3      LYS  18  -9.980   9.088  -2.109
  113   2HZ   LYS  18           HZ2      LYS  18 -11.344   9.652  -1.266
  114   3HZ   LYS  18           HZ1      LYS  18  -9.792  10.196  -0.838
  115    H    LYS  19           HN       LYS  19  -6.784   3.673  -3.231
  116    HA   LYS  19           HA       LYS  19  -9.339   4.360  -4.604
  117   1HB   LYS  19           HB2      LYS  19  -6.553   3.983  -5.747
  118   2HB   LYS  19           HB1      LYS  19  -7.976   4.516  -6.646
  119   1HG   LYS  19           HG2      LYS  19  -8.132   6.540  -5.351
  120   2HG   LYS  19           HG1      LYS  19  -6.898   5.978  -4.222
  121   1HD   LYS  19           HD2      LYS  19  -5.236   5.975  -6.062
  122   2HD   LYS  19           HD1      LYS  19  -6.472   6.587  -7.162
  123   1HE   LYS  19           HE2      LYS  19  -5.703   8.013  -4.606
  124   2HE   LYS  19           HE1      LYS  19  -4.941   8.356  -6.159
  125   1HZ   LYS  19           HZ2      LYS  19  -7.806   8.301  -6.294
  126   2HZ   LYS  19           HZ1      LYS  19  -7.223   9.493  -5.232
  127   3HZ   LYS  19           HZ3      LYS  19  -6.716   9.480  -6.851
  128    H    GLU  20           HN       GLU  20  -7.176   1.738  -3.865
  129    HA   GLU  20           HA       GLU  20  -8.166  -0.047  -5.918
  130   1HB   GLU  20           HB2      GLU  20  -6.593  -0.525  -3.378
  131   2HB   GLU  20           HB1      GLU  20  -7.002  -1.803  -4.523
  132   1HG   GLU  20           HG2      GLU  20  -5.897   0.482  -5.916
  133   2HG   GLU  20           HG1      GLU  20  -4.790  -0.069  -4.656
  134    H    THR  21           HN       THR  21  -8.802   0.350  -2.430
  135    HA   THR  21           HA       THR  21 -11.373  -1.098  -2.870
  136    HB   THR  21           HB       THR  21  -9.954  -2.727  -1.805
  137    HG1  THR  21           HG1      THR  21 -12.089  -2.345  -0.914
  138   1HG2  THR  21          HG22      THR  21  -8.453  -0.692  -0.925
  139   2HG2  THR  21          HG21      THR  21  -9.382  -0.984   0.546
  140   3HG2  THR  21          HG23      THR  21  -8.412  -2.279  -0.157
  141    H    GLY  22           HN       GLY  22 -10.003   1.744  -2.044
  142   1HA   GLY  22           HA2      GLY  22 -11.176   3.651  -1.233
  143   2HA   GLY  22           HA1      GLY  22 -12.388   2.571  -0.550
  144    H    TYR  23           HN       TYR  23 -10.203   0.894   0.683
  145    HA   TYR  23           HA       TYR  23  -9.928   2.527   3.126
  146   1HB   TYR  23           HB2      TYR  23  -8.896  -0.283   2.766
  147   2HB   TYR  23           HB1      TYR  23  -9.426   0.511   4.248
  148    HD1  TYR  23           HD1      TYR  23 -11.956   1.512   4.006
  149    HD2  TYR  23           HD2      TYR  23 -10.354  -1.871   1.895
  150    HE1  TYR  23           HE1      TYR  23 -14.252   0.640   3.660
  151    HE2  TYR  23           HE2      TYR  23 -12.650  -2.742   1.548
  152    HH   TYR  23           HH       TYR  23 -14.906  -2.490   2.732
  153    HA   PRO  24           HA       PRO  24  -5.766   3.526   1.830
  154   1HB   PRO  24           HB2      PRO  24  -5.230   5.172   3.965
  155   2HB   PRO  24           HB1      PRO  24  -6.167   5.679   2.549
  156   1HG   PRO  24           HG2      PRO  24  -7.126   5.009   5.292
  157   2HG   PRO  24           HG1      PRO  24  -7.849   6.080   4.081
  158   1HD   PRO  24           HD2      PRO  24  -8.696   3.446   4.674
  159   2HD   PRO  24           HD1      PRO  24  -9.171   4.398   3.252
  160    H    ASN  25           HN       ASN  25  -6.778   2.030   4.798
  161    HA   ASN  25           HA       ASN  25  -4.302   1.684   6.121
  162   1HB   ASN  25           HB2      ASN  25  -6.950   0.425   6.184
  163   2HB   ASN  25           HB1      ASN  25  -5.645  -0.694   6.579
  164   1HD2  ASN  25          HD22      ASN  25  -6.833   1.750   9.438
  165   2HD2  ASN  25          HD21      ASN  25  -7.770   1.234   8.120
  166    H    ALA  26           HN       ALA  26  -2.486   0.692   5.408
  167    HA   ALA  26           HA       ALA  26  -2.586  -1.880   4.056
  168   1HB   ALA  26           HB2      ALA  26  -1.813   0.607   2.513
  169   2HB   ALA  26           HB1      ALA  26  -1.348  -1.018   2.008
  170   3HB   ALA  26           HB3      ALA  26  -3.053  -0.575   2.093
  171    H    LYS  27           HN       LYS  27  -0.139  -2.285   3.197
  172    HA   LYS  27           HA       LYS  27   1.774  -0.990   5.071
  173   1HB   LYS  27           HB2      LYS  27   1.358  -3.982   4.797
  174   2HB   LYS  27           HB1      LYS  27   2.683  -3.228   5.685
  175   1HG   LYS  27           HG2      LYS  27   1.096  -2.132   7.188
  176   2HG   LYS  27           HG1      LYS  27  -0.259  -2.788   6.271
  177   1HD   LYS  27           HD2      LYS  27  -0.019  -4.265   8.112
  178   2HD   LYS  27           HD1      LYS  27   0.753  -5.105   6.766
  179   1HE   LYS  27           HE2      LYS  27   2.679  -5.178   7.922
  180   2HE   LYS  27           HE1      LYS  27   2.711  -3.416   7.974
  181   1HZ   LYS  27           HZ2      LYS  27   0.859  -4.668   9.811
  182   2HZ   LYS  27           HZ1      LYS  27   2.499  -4.978  10.131
  183   3HZ   LYS  27           HZ3      LYS  27   1.938  -3.378  10.061
  184    H    CYS  28           HN       CYS  28   3.993  -1.204   4.383
  185    HA   CYS  28           HA       CYS  28   4.254  -1.935   1.493
  186   1HB   CYS  28           HB2      CYS  28   5.526   0.188   3.201
  187   2HB   CYS  28           HB1      CYS  28   6.402  -0.435   1.802
  188    H    MET  29           HN       MET  29   6.036  -3.259   0.894
  189    HA   MET  29           HA       MET  29   7.791  -4.218   3.093
  190   1HB   MET  29           HB2      MET  29   6.150  -6.029   1.300
  191   2HB   MET  29           HB1      MET  29   7.386  -6.575   2.436
  192   1HG   MET  29           HG2      MET  29   6.085  -5.427   4.270
  193   2HG   MET  29           HG1      MET  29   4.798  -5.142   3.096
  194   1HE   MET  29           HE1      MET  29   5.960  -6.692   5.695
  195   2HE   MET  29           HE3      MET  29   4.531  -7.692   5.987
  196   3HE   MET  29           HE2      MET  29   6.065  -8.445   5.556
  197    H    ASN  30           HN       ASN  30   9.608  -3.314   2.110
  198    HA   ASN  30           HA       ASN  30  11.228  -2.947   0.421
  199   1HB   ASN  30           HB2      ASN  30  12.260  -5.061  -0.283
  200   2HB   ASN  30           HB1      ASN  30  11.839  -5.122   1.429
  201   1HD2  ASN  30          HD22      ASN  30   9.541  -7.772   1.031
  202   2HD2  ASN  30          HD21      ASN  30  10.307  -6.698   2.100
  203    H    ARG  31           HN       ARG  31   8.931  -2.168  -0.726
  204    HA   ARG  31           HA       ARG  31   8.238  -1.662  -2.923
  205   1HB   ARG  31           HB2      ARG  31   9.764  -4.079  -3.908
  206   2HB   ARG  31           HB1      ARG  31   9.254  -2.665  -4.825
  207   1HG   ARG  31           HG2      ARG  31  11.005  -2.145  -2.478
  208   2HG   ARG  31           HG1      ARG  31  11.759  -2.939  -3.861
  209   1HD   ARG  31           HD2      ARG  31  10.319  -0.278  -3.814
  210   2HD   ARG  31           HD1      ARG  31  12.009  -0.583  -4.216
  211    HE   ARG  31           HE       ARG  31   9.685  -1.168  -5.965
  212   1HH1  ARG  31          HH21      ARG  31  12.980  -1.796  -5.273
  213   2HH1  ARG  31          HH22      ARG  31  13.477  -1.807  -6.933
  214   1HH2  ARG  31          HH11      ARG  31  10.353  -0.913  -8.147
  215   2HH2  ARG  31          HH12      ARG  31  11.989  -1.303  -8.560
  216    H    LYS  32           HN       LYS  32   6.914  -3.526  -1.009
  217    HA   LYS  32           HA       LYS  32   5.191  -4.884  -3.035
  218   1HB   LYS  32           HB2      LYS  32   6.592  -6.097  -0.715
  219   2HB   LYS  32           HB1      LYS  32   4.911  -6.573  -0.940
  220   1HG   LYS  32           HG2      LYS  32   5.355  -7.717  -2.861
  221   2HG   LYS  32           HG1      LYS  32   6.543  -6.532  -3.406
  222   1HD   LYS  32           HD2      LYS  32   8.171  -7.423  -1.767
  223   2HD   LYS  32           HD1      LYS  32   6.987  -8.625  -1.255
  224   1HE   LYS  32           HE2      LYS  32   8.198  -9.851  -2.816
  225   2HE   LYS  32           HE1      LYS  32   6.913  -9.200  -3.832
  226   1HZ   LYS  32           HZ3      LYS  32   9.206  -7.471  -3.528
  227   2HZ   LYS  32           HZ2      LYS  32   9.532  -8.928  -4.337
  228   3HZ   LYS  32           HZ1      LYS  32   8.331  -7.878  -4.922
  229    H    CYS  33           HN       CYS  33   3.540  -3.344  -2.842
  230    HA   CYS  33           HA       CYS  33   2.613  -2.520  -0.179
  231   1HB   CYS  33           HB2      CYS  33   2.606  -0.943  -2.110
  232   2HB   CYS  33           HB1      CYS  33   1.404  -1.960  -2.904
  233    H    LYS  34           HN       LYS  34   0.566  -3.042   0.697
  234    HA   LYS  34           HA       LYS  34  -1.098  -5.046  -0.702
  235   1HB   LYS  34           HB2      LYS  34   0.827  -5.831   1.209
  236   2HB   LYS  34           HB1      LYS  34  -0.728  -5.896   2.039
  237   1HG   LYS  34           HG2      LYS  34  -1.650  -7.248   0.173
  238   2HG   LYS  34           HG1      LYS  34  -0.070  -7.218  -0.610
  239   1HD   LYS  34           HD2      LYS  34  -0.550  -8.303   2.178
  240   2HD   LYS  34           HD1      LYS  34  -0.491  -9.306   0.728
  241   1HE   LYS  34           HE2      LYS  34   1.802  -8.351   0.268
  242   2HE   LYS  34           HE1      LYS  34   1.734  -7.589   1.856
  243   1HZ   LYS  34           HZ2      LYS  34   1.442 -10.502   1.360
  244   2HZ   LYS  34           HZ1      LYS  34   2.868  -9.746   1.890
  245   3HZ   LYS  34           HZ3      LYS  34   1.489  -9.735   2.876
  246    H    CYS  35           HN       CYS  35  -3.075  -4.104  -0.551
  247    HA   CYS  35           HA       CYS  35  -3.722  -2.257   1.613
  248   1HB   CYS  35           HB2      CYS  35  -5.640  -3.445  -0.403
  249   2HB   CYS  35           HB1      CYS  35  -5.793  -1.915   0.462
  250    H    PHE  36           HN       PHE  36  -5.646  -2.585   3.023
  251    HA   PHE  36           HA       PHE  36  -5.720  -5.386   4.000
  252   1HB   PHE  36           HB2      PHE  36  -6.380  -2.704   5.155
  253   2HB   PHE  36           HB1      PHE  36  -7.190  -4.123   5.820
  254    HD1  PHE  36           HD2      PHE  36  -5.457  -6.231   6.086
  255    HD2  PHE  36           HD1      PHE  36  -4.434  -2.064   6.242
  256    HE1  PHE  36           HE2      PHE  36  -3.421  -6.778   7.394
  257    HE2  PHE  36           HE1      PHE  36  -2.401  -2.609   7.550
  258    HZ   PHE  36           HZ       PHE  36  -1.895  -4.967   8.129
  259    H    GLY  37           HN       GLY  37  -7.058  -5.190   1.598
  260   1HA   GLY  37           HA2      GLY  37  -9.656  -6.157   2.232
  261   2HA   GLY  37           HA1      GLY  37  -9.804  -4.473   1.729
  262    H    ARG  38           HN       ARG  38  -9.290  -3.918  -0.446
  263    HA   ARG  38           HA       ARG  38  -9.192  -4.310  -2.757
  264   1HB   ARG  38           HB2      ARG  38  -7.201  -5.985  -1.512
  265   2HB   ARG  38           HB1      ARG  38  -7.890  -6.821  -2.905
  266   1HG   ARG  38           HG2      ARG  38  -7.467  -4.051  -3.570
  267   2HG   ARG  38           HG1      ARG  38  -5.973  -4.733  -2.924
  268   1HD   ARG  38           HD2      ARG  38  -5.919  -5.187  -5.266
  269   2HD   ARG  38           HD1      ARG  38  -6.366  -6.712  -4.501
  270    HE   ARG  38           HE       ARG  38  -8.578  -4.974  -5.425
  271   1HH1  ARG  38          HH11      ARG  38  -9.570  -7.525  -5.017
  272   2HH1  ARG  38          HH12      ARG  38  -9.307  -8.400  -6.488
  273   1HH2  ARG  38          HH21      ARG  38  -6.923  -6.187  -7.688
  274   2HH2  ARG  38          HH22      ARG  38  -7.806  -7.644  -8.000
   
  No H/Q in entry =         274
  Start of MODEL    9
    1   1H    THR   4           HT2      THR   4   6.893  -3.623  -9.582
    2   2H    THR   4           HT1      THR   4   5.974  -5.047  -9.694
    3   3H    THR   4           HT3      THR   4   5.464  -3.646 -10.500
    4    HA   THR   4           HA       THR   4   4.100  -3.781  -8.616
    5    HB   THR   4           HB       THR   4   6.008  -3.756  -6.479
    6    HG1  THR   4           HG1      THR   4   7.439  -5.088  -7.197
    7   1HG2  THR   4          HG22      THR   4   3.505  -4.778  -7.039
    8   2HG2  THR   4          HG21      THR   4   4.501  -6.231  -6.937
    9   3HG2  THR   4          HG23      THR   4   4.434  -5.110  -5.577
   10    H    ILE   5           HN       ILE   5   4.361  -2.192  -6.462
   11    HA   ILE   5           HA       ILE   5   5.294   0.367  -7.661
   12    HB   ILE   5           HB       ILE   5   3.741   0.193  -5.095
   13   1HG1  ILE   5          HG12      ILE   5   2.474   0.091  -7.849
   14   2HG1  ILE   5          HG11      ILE   5   2.665  -1.329  -6.818
   15   1HG2  ILE   5          HG23      ILE   5   4.230   2.147  -7.307
   16   2HG2  ILE   5          HG22      ILE   5   2.689   2.231  -6.452
   17   3HG2  ILE   5          HG21      ILE   5   4.202   2.410  -5.562
   18   1HD1  ILE   5          HD11      ILE   5   1.412   1.098  -5.607
   19   2HD1  ILE   5          HD13      ILE   5   0.444   0.160  -6.744
   20   3HD1  ILE   5          HD12      ILE   5   1.089  -0.607  -5.293
   21    H    SER   6           HN       SER   6   6.094   1.969  -5.865
   22    HA   SER   6           HA       SER   6   7.921   0.517  -3.995
   23   1HB   SER   6           HB2      SER   6   9.071   1.485  -6.060
   24   2HB   SER   6           HB1      SER   6   8.627   3.078  -5.453
   25    HG   SER   6           HG       SER   6  10.416   1.179  -4.420
   26    H    CYS   7           HN       CYS   7   8.157   1.520  -1.944
   27    HA   CYS   7           HA       CYS   7   7.121   4.187  -1.462
   28   1HB   CYS   7           HB2      CYS   7   5.386   3.266   0.227
   29   2HB   CYS   7           HB1      CYS   7   4.960   3.250  -1.485
   30    H    THR   8           HN       THR   8   7.915   1.095   0.028
   31    HA   THR   8           HA       THR   8   9.212   0.609   1.932
   32    HB   THR   8           HB       THR   8  11.173   1.860   2.201
   33    HG1  THR   8           HG1      THR   8  10.280   3.797   2.811
   34   1HG2  THR   8          HG23      THR   8  10.370   1.316  -0.343
   35   2HG2  THR   8          HG22      THR   8  10.667   3.051  -0.458
   36   3HG2  THR   8          HG21      THR   8  11.957   1.969   0.065
   37    H    ASN   9           HN       ASN   9   6.651   2.356   1.949
   38    HA   ASN   9           HA       ASN   9   6.469   2.647   4.808
   39   1HB   ASN   9           HB2      ASN   9   6.114   5.165   4.751
   40   2HB   ASN   9           HB1      ASN   9   7.783   4.649   4.519
   41   1HD2  ASN   9          HD22      ASN   9   5.721   6.042   1.234
   42   2HD2  ASN   9          HD21      ASN   9   4.859   5.289   2.487
   43    HA   PRO  10           HA       PRO  10   2.230   2.524   3.682
   44   1HB   PRO  10           HB2      PRO  10   1.091   3.811   5.825
   45   2HB   PRO  10           HB1      PRO  10   1.730   2.160   5.898
   46   1HG   PRO  10           HG2      PRO  10   2.898   4.683   6.981
   47   2HG   PRO  10           HG1      PRO  10   3.115   3.016   7.540
   48   1HD   PRO  10           HD2      PRO  10   4.968   4.484   6.003
   49   2HD   PRO  10           HD1      PRO  10   4.988   2.725   6.246
   50    H    LYS  11           HN       LYS  11   3.556   5.682   4.495
   51    HA   LYS  11           HA       LYS  11   1.470   7.414   3.878
   52   1HB   LYS  11           HB2      LYS  11   4.413   7.546   3.720
   53   2HB   LYS  11           HB1      LYS  11   3.572   8.688   2.671
   54   1HG   LYS  11           HG2      LYS  11   2.162   8.792   5.087
   55   2HG   LYS  11           HG1      LYS  11   3.859   8.726   5.566
   56   1HD   LYS  11           HD2      LYS  11   3.868  10.493   3.424
   57   2HD   LYS  11           HD1      LYS  11   2.378  10.895   4.278
   58   1HE   LYS  11           HE2      LYS  11   4.186  12.215   5.222
   59   2HE   LYS  11           HE1      LYS  11   3.695  11.006   6.409
   60   1HZ   LYS  11           HZ2      LYS  11   5.616   9.807   4.826
   61   2HZ   LYS  11           HZ1      LYS  11   6.212  11.361   5.168
   62   3HZ   LYS  11           HZ3      LYS  11   5.785  10.319   6.436
   63    H    GLN  12           HN       GLN  12   3.169   5.293   1.705
   64    HA   GLN  12           HA       GLN  12   2.012   6.686  -0.657
   65   1HB   GLN  12           HB2      GLN  12   4.186   4.676  -0.238
   66   2HB   GLN  12           HB1      GLN  12   3.339   4.668  -1.786
   67   1HG   GLN  12           HG2      GLN  12   3.776   7.356  -1.391
   68   2HG   GLN  12           HG1      GLN  12   5.233   6.640  -0.699
   69   1HE2  GLN  12          HE22      GLN  12   6.557   6.402  -3.956
   70   2HE2  GLN  12          HE21      GLN  12   6.761   6.955  -2.365
   71    H    CYS  13           HN       CYS  13   1.786   3.683   1.173
   72    HA   CYS  13           HA       CYS  13  -0.051   2.453  -0.746
   73   1HB   CYS  13           HB2      CYS  13   1.507   1.544   1.415
   74   2HB   CYS  13           HB1      CYS  13  -0.167   1.316   1.923
   75    H    TYR  14           HN       TYR  14  -0.351   4.916   1.498
   76    HA   TYR  14           HA       TYR  14  -2.911   4.286   2.630
   77   1HB   TYR  14           HB2      TYR  14  -1.064   6.585   2.557
   78   2HB   TYR  14           HB1      TYR  14  -2.764   7.014   2.703
   79    HD1  TYR  14           HD1      TYR  14  -1.118   3.918   3.939
   80    HD2  TYR  14           HD2      TYR  14  -2.878   7.692   4.992
   81    HE1  TYR  14           HE1      TYR  14  -1.040   3.285   6.336
   82    HE2  TYR  14           HE2      TYR  14  -2.800   7.058   7.389
   83    HH   TYR  14           HH       TYR  14  -1.260   4.045   8.444
   84    HA   PRO  15           HA       PRO  15  -4.580   6.993  -0.933
   85   1HB   PRO  15           HB2      PRO  15  -2.751   7.759  -2.852
   86   2HB   PRO  15           HB1      PRO  15  -3.230   8.761  -1.468
   87   1HG   PRO  15           HG2      PRO  15  -0.678   7.321  -1.945
   88   2HG   PRO  15           HG1      PRO  15  -1.022   8.665  -0.853
   89   1HD   PRO  15           HD2      PRO  15  -0.738   5.938  -0.091
   90   2HD   PRO  15           HD1      PRO  15  -1.306   7.277   0.920
   91    H    HIS  16           HN       HIS  16  -1.826   5.008  -2.089
   92    HA   HIS  16           HA       HIS  16  -2.983   4.121  -4.507
   93   1HB   HIS  16           HB2      HIS  16  -0.645   3.639  -3.934
   94   2HB   HIS  16           HB1      HIS  16  -1.169   2.592  -2.615
   95    HD1  HIS  16           HD1      HIS  16  -2.195   2.833  -6.292
   96    HD2  HIS  16           HD2      HIS  16  -0.966  -0.006  -3.499
   97    HE1  HIS  16           HE1      HIS  16  -2.234   0.597  -7.480
   98    H    CYS  17           HN       CYS  17  -3.458   2.992  -1.190
   99    HA   CYS  17           HA       CYS  17  -5.156   0.759  -2.053
  100   1HB   CYS  17           HB2      CYS  17  -4.575   1.925   0.686
  101   2HB   CYS  17           HB1      CYS  17  -5.534   0.473   0.403
  102    H    LYS  18           HN       LYS  18  -5.583   4.052  -0.867
  103    HA   LYS  18           HA       LYS  18  -8.365   3.861  -0.252
  104   1HB   LYS  18           HB2      LYS  18  -6.822   5.748   0.408
  105   2HB   LYS  18           HB1      LYS  18  -6.912   6.317  -1.260
  106   1HG   LYS  18           HG2      LYS  18  -9.386   6.460  -1.052
  107   2HG   LYS  18           HG1      LYS  18  -9.253   5.972   0.638
  108   1HD   LYS  18           HD2      LYS  18  -7.416   8.113   0.213
  109   2HD   LYS  18           HD1      LYS  18  -8.968   8.595  -0.475
  110   1HE   LYS  18           HE2      LYS  18 -10.002   8.648   1.559
  111   2HE   LYS  18           HE1      LYS  18  -9.114   7.248   2.159
  112   1HZ   LYS  18           HZ3      LYS  18  -7.408   9.492   1.706
  113   2HZ   LYS  18           HZ2      LYS  18  -8.648   9.859   2.809
  114   3HZ   LYS  18           HZ1      LYS  18  -7.604   8.552   3.104
  115    H    LYS  19           HN       LYS  19  -6.641   4.328  -3.284
  116    HA   LYS  19           HA       LYS  19  -9.188   4.895  -4.692
  117   1HB   LYS  19           HB2      LYS  19  -6.295   5.163  -5.328
  118   2HB   LYS  19           HB1      LYS  19  -7.367   4.793  -6.680
  119   1HG   LYS  19           HG2      LYS  19  -8.145   6.904  -6.712
  120   2HG   LYS  19           HG1      LYS  19  -8.561   6.818  -4.999
  121   1HD   LYS  19           HD2      LYS  19  -6.606   7.814  -4.332
  122   2HD   LYS  19           HD1      LYS  19  -5.671   7.095  -5.644
  123   1HE   LYS  19           HE2      LYS  19  -7.587   8.834  -6.830
  124   2HE   LYS  19           HE1      LYS  19  -6.822   9.719  -5.510
  125   1HZ   LYS  19           HZ3      LYS  19  -5.357   8.239  -7.625
  126   2HZ   LYS  19           HZ2      LYS  19  -5.612   9.918  -7.619
  127   3HZ   LYS  19           HZ1      LYS  19  -4.670   9.195  -6.404
  128    H    GLU  20           HN       GLU  20  -8.066   2.187  -3.507
  129    HA   GLU  20           HA       GLU  20  -8.672   0.607  -5.946
  130   1HB   GLU  20           HB2      GLU  20  -6.719   0.077  -3.710
  131   2HB   GLU  20           HB1      GLU  20  -7.307  -1.221  -4.750
  132   1HG   GLU  20           HG2      GLU  20  -6.358   1.219  -6.144
  133   2HG   GLU  20           HG1      GLU  20  -5.116   0.263  -5.336
  134    H    THR  21           HN       THR  21  -8.555   0.118  -2.402
  135    HA   THR  21           HA       THR  21 -11.215  -1.230  -2.638
  136    HB   THR  21           HB       THR  21  -9.581  -2.806  -1.841
  137    HG1  THR  21           HG1      THR  21 -11.222  -3.204  -0.568
  138   1HG2  THR  21          HG23      THR  21  -8.622  -0.435  -0.332
  139   2HG2  THR  21          HG22      THR  21  -8.478  -1.992   0.483
  140   3HG2  THR  21          HG21      THR  21  -7.703  -1.741  -1.080
  141    H    GLY  22           HN       GLY  22 -10.396   1.701  -2.168
  142   1HA   GLY  22           HA2      GLY  22 -11.195   3.486  -0.879
  143   2HA   GLY  22           HA1      GLY  22 -12.505   2.403  -0.408
  144    H    TYR  23           HN       TYR  23  -9.365   1.212   0.281
  145    HA   TYR  23           HA       TYR  23  -9.729   2.001   3.142
  146   1HB   TYR  23           HB2      TYR  23  -8.345  -0.474   2.079
  147   2HB   TYR  23           HB1      TYR  23  -8.673  -0.088   3.770
  148    HD1  TYR  23           HD1      TYR  23 -11.464   1.197   3.051
  149    HD2  TYR  23           HD2      TYR  23  -9.614  -2.584   2.201
  150    HE1  TYR  23           HE1      TYR  23 -13.702   0.145   2.861
  151    HE2  TYR  23           HE2      TYR  23 -11.851  -3.637   2.010
  152    HH   TYR  23           HH       TYR  23 -14.053  -3.350   2.391
  153    HA   PRO  24           HA       PRO  24  -5.782   3.955   2.231
  154   1HB   PRO  24           HB2      PRO  24  -5.807   5.532   4.482
  155   2HB   PRO  24           HB1      PRO  24  -6.685   5.938   2.997
  156   1HG   PRO  24           HG2      PRO  24  -7.753   4.916   5.586
  157   2HG   PRO  24           HG1      PRO  24  -8.556   5.899   4.352
  158   1HD   PRO  24           HD2      PRO  24  -8.895   3.110   4.733
  159   2HD   PRO  24           HD1      PRO  24  -9.427   4.047   3.320
  160    H    ASN  25           HN       ASN  25  -6.809   2.281   5.135
  161    HA   ASN  25           HA       ASN  25  -4.233   2.227   6.425
  162   1HB   ASN  25           HB2      ASN  25  -6.835   0.786   6.774
  163   2HB   ASN  25           HB1      ASN  25  -5.396   0.140   7.563
  164   1HD2  ASN  25          HD22      ASN  25  -6.937   3.730   8.819
  165   2HD2  ASN  25          HD21      ASN  25  -7.418   3.087   7.323
  166    H    ALA  26           HN       ALA  26  -2.532   1.283   5.380
  167    HA   ALA  26           HA       ALA  26  -2.803  -1.547   4.580
  168   1HB   ALA  26           HB3      ALA  26  -3.343  -0.294   2.516
  169   2HB   ALA  26           HB2      ALA  26  -1.821   0.585   2.657
  170   3HB   ALA  26           HB1      ALA  26  -1.810  -1.152   2.357
  171    H    LYS  27           HN       LYS  27  -0.331  -1.897   3.399
  172    HA   LYS  27           HA       LYS  27   1.664  -0.616   5.178
  173   1HB   LYS  27           HB2      LYS  27   1.122  -3.595   5.058
  174   2HB   LYS  27           HB1      LYS  27   2.619  -2.914   5.696
  175   1HG   LYS  27           HG2      LYS  27   0.958  -1.431   7.127
  176   2HG   LYS  27           HG1      LYS  27  -0.159  -2.759   6.810
  177   1HD   LYS  27           HD2      LYS  27   2.629  -3.330   7.794
  178   2HD   LYS  27           HD1      LYS  27   1.360  -2.879   8.933
  179   1HE   LYS  27           HE2      LYS  27   0.038  -4.768   8.385
  180   2HE   LYS  27           HE1      LYS  27   0.944  -5.076   6.904
  181   1HZ   LYS  27           HZ3      LYS  27   2.790  -5.121   8.954
  182   2HZ   LYS  27           HZ2      LYS  27   1.455  -6.000   9.530
  183   3HZ   LYS  27           HZ1      LYS  27   2.206  -6.447   8.073
  184    H    CYS  28           HN       CYS  28   3.904  -1.095   4.434
  185    HA   CYS  28           HA       CYS  28   3.959  -1.834   1.533
  186   1HB   CYS  28           HB2      CYS  28   5.152   0.461   3.015
  187   2HB   CYS  28           HB1      CYS  28   6.133  -0.262   1.741
  188    H    MET  29           HN       MET  29   4.707  -3.943   1.723
  189    HA   MET  29           HA       MET  29   6.929  -4.542   3.566
  190   1HB   MET  29           HB2      MET  29   4.941  -6.083   2.029
  191   2HB   MET  29           HB1      MET  29   6.542  -6.823   2.085
  192   1HG   MET  29           HG2      MET  29   5.863  -5.783   4.690
  193   2HG   MET  29           HG1      MET  29   4.574  -6.843   4.119
  194   1HE   MET  29           HE1      MET  29   4.556  -8.450   5.472
  195   2HE   MET  29           HE3      MET  29   4.914  -9.683   4.254
  196   3HE   MET  29           HE2      MET  29   5.735  -9.715   5.813
  197    H    ASN  30           HN       ASN  30   8.856  -3.757   2.810
  198    HA   ASN  30           HA       ASN  30  10.571  -3.236   1.266
  199   1HB   ASN  30           HB2      ASN  30  11.186  -5.455  -0.015
  200   2HB   ASN  30           HB1      ASN  30  11.385  -5.365   1.735
  201   1HD2  ASN  30          HD22      ASN  30   8.940  -7.825   2.391
  202   2HD2  ASN  30          HD21      ASN  30  10.095  -6.757   3.029
  203    H    ARG  31           HN       ARG  31   8.919  -1.849   0.047
  204    HA   ARG  31           HA       ARG  31   8.095  -1.105  -2.018
  205   1HB   ARG  31           HB2      ARG  31   9.757  -3.348  -3.193
  206   2HB   ARG  31           HB1      ARG  31   9.230  -1.872  -4.002
  207   1HG   ARG  31           HG2      ARG  31  10.719  -0.522  -2.792
  208   2HG   ARG  31           HG1      ARG  31  10.902  -1.715  -1.504
  209   1HD   ARG  31           HD2      ARG  31  12.908  -1.966  -2.680
  210   2HD   ARG  31           HD1      ARG  31  11.902  -3.221  -3.401
  211    HE   ARG  31           HE       ARG  31  11.404  -1.132  -5.067
  212   1HH1  ARG  31          HH11      ARG  31  14.048  -0.026  -3.956
  213   2HH1  ARG  31          HH12      ARG  31  15.160  -0.581  -5.162
  214   1HH2  ARG  31          HH21      ARG  31  12.949  -2.879  -6.526
  215   2HH2  ARG  31          HH22      ARG  31  14.539  -2.197  -6.615
  216    H    LYS  32           HN       LYS  32   6.716  -3.300  -0.517
  217    HA   LYS  32           HA       LYS  32   5.261  -4.493  -2.845
  218   1HB   LYS  32           HB2      LYS  32   6.588  -6.100  -1.343
  219   2HB   LYS  32           HB1      LYS  32   5.397  -5.736  -0.094
  220   1HG   LYS  32           HG2      LYS  32   4.338  -7.536  -1.060
  221   2HG   LYS  32           HG1      LYS  32   3.710  -6.265  -2.111
  222   1HD   LYS  32           HD2      LYS  32   6.153  -6.894  -3.268
  223   2HD   LYS  32           HD1      LYS  32   5.535  -8.462  -2.745
  224   1HE   LYS  32           HE2      LYS  32   3.456  -6.806  -3.956
  225   2HE   LYS  32           HE1      LYS  32   4.794  -7.115  -5.064
  226   1HZ   LYS  32           HZ2      LYS  32   3.501  -9.257  -3.479
  227   2HZ   LYS  32           HZ1      LYS  32   2.974  -8.824  -5.035
  228   3HZ   LYS  32           HZ3      LYS  32   4.543  -9.425  -4.809
  229    H    CYS  33           HN       CYS  33   3.863  -2.588  -2.779
  230    HA   CYS  33           HA       CYS  33   2.418  -1.757  -0.466
  231   1HB   CYS  33           HB2      CYS  33   2.515  -1.049  -3.201
  232   2HB   CYS  33           HB1      CYS  33   0.832  -1.452  -2.861
  233    H    LYS  34           HN       LYS  34   1.110  -3.074   0.701
  234    HA   LYS  34           HA       LYS  34  -0.762  -4.860  -0.797
  235   1HB   LYS  34           HB2      LYS  34   1.188  -6.057   0.363
  236   2HB   LYS  34           HB1      LYS  34   0.451  -5.557   1.885
  237   1HG   LYS  34           HG2      LYS  34  -0.874  -7.373   1.748
  238   2HG   LYS  34           HG1      LYS  34  -1.660  -6.615   0.362
  239   1HD   LYS  34           HD2      LYS  34  -0.409  -7.818  -1.182
  240   2HD   LYS  34           HD1      LYS  34   0.932  -8.057  -0.063
  241   1HE   LYS  34           HE2      LYS  34  -1.636  -9.268   0.774
  242   2HE   LYS  34           HE1      LYS  34  -0.894  -9.987  -0.656
  243   1HZ   LYS  34           HZ1      LYS  34   0.852  -9.425   1.611
  244   2HZ   LYS  34           HZ3      LYS  34  -0.239 -10.710   1.787
  245   3HZ   LYS  34           HZ2      LYS  34   0.881 -10.719   0.511
  246    H    CYS  35           HN       CYS  35  -2.772  -4.038  -0.436
  247    HA   CYS  35           HA       CYS  35  -3.318  -2.493   2.013
  248   1HB   CYS  35           HB2      CYS  35  -5.375  -3.214  -0.065
  249   2HB   CYS  35           HB1      CYS  35  -5.285  -1.773   0.947
  250    H    PHE  36           HN       PHE  36  -5.416  -2.997   3.204
  251    HA   PHE  36           HA       PHE  36  -5.424  -5.865   3.886
  252   1HB   PHE  36           HB2      PHE  36  -6.773  -3.433   5.083
  253   2HB   PHE  36           HB1      PHE  36  -7.078  -5.072   5.660
  254    HD1  PHE  36           HD2      PHE  36  -4.559  -6.420   5.620
  255    HD2  PHE  36           HD1      PHE  36  -5.372  -2.311   6.573
  256    HE1  PHE  36           HE2      PHE  36  -2.489  -6.326   6.984
  257    HE2  PHE  36           HE1      PHE  36  -3.302  -2.217   7.936
  258    HZ   PHE  36           HZ       PHE  36  -1.861  -4.224   8.142
  259    H    GLY  37           HN       GLY  37  -6.398  -5.452   1.312
  260   1HA   GLY  37           HA2      GLY  37  -8.872  -6.812   1.341
  261   2HA   GLY  37           HA1      GLY  37  -9.230  -5.095   1.149
  262    H    ARG  38           HN       ARG  38  -7.448  -4.092  -0.517
  263    HA   ARG  38           HA       ARG  38  -6.888  -3.956  -2.792
  264   1HB   ARG  38           HB2      ARG  38  -5.815  -6.351  -1.776
  265   2HB   ARG  38           HB1      ARG  38  -6.567  -6.791  -3.309
  266   1HG   ARG  38           HG2      ARG  38  -5.324  -5.054  -4.474
  267   2HG   ARG  38           HG1      ARG  38  -4.654  -4.468  -2.952
  268   1HD   ARG  38           HD2      ARG  38  -3.000  -5.876  -4.064
  269   2HD   ARG  38           HD1      ARG  38  -3.579  -6.695  -2.613
  270    HE   ARG  38           HE       ARG  38  -5.167  -7.495  -4.864
  271   1HH1  ARG  38          HH21      ARG  38  -2.485  -8.193  -2.883
  272   2HH1  ARG  38          HH22      ARG  38  -1.986  -9.584  -3.787
  273   1HH2  ARG  38          HH11      ARG  38  -4.347  -9.135  -6.287
  274   2HH2  ARG  38          HH12      ARG  38  -3.040 -10.117  -5.715
   
  No H/Q in entry =         274
  Start of MODEL   10
    1   1H    THR   4           HT3      THR   4   4.403  -1.481 -10.843
    2   2H    THR   4           HT2      THR   4   5.686  -2.539 -10.491
    3   3H    THR   4           HT1      THR   4   4.094  -3.127 -10.580
    4    HA   THR   4           HA       THR   4   3.457  -2.075  -8.600
    5    HB   THR   4           HB       THR   4   6.161  -2.720  -7.644
    6    HG1  THR   4           HG1      THR   4   4.751  -4.797  -8.903
    7   1HG2  THR   4          HG22      THR   4   3.432  -3.030  -6.881
    8   2HG2  THR   4          HG21      THR   4   4.150  -4.639  -6.966
    9   3HG2  THR   4          HG23      THR   4   4.873  -3.403  -5.936
   10    H    ILE   5           HN       ILE   5   4.557  -0.844  -6.596
   11    HA   ILE   5           HA       ILE   5   5.962   1.540  -7.741
   12    HB   ILE   5           HB       ILE   5   4.400   1.832  -5.226
   13   1HG1  ILE   5          HG12      ILE   5   3.021   1.760  -7.926
   14   2HG1  ILE   5          HG11      ILE   5   2.945   0.436  -6.762
   15   1HG2  ILE   5          HG23      ILE   5   5.629   3.705  -6.259
   16   2HG2  ILE   5          HG22      ILE   5   4.693   3.502  -7.740
   17   3HG2  ILE   5          HG21      ILE   5   3.893   4.015  -6.255
   18   1HD1  ILE   5          HD12      ILE   5   2.242   3.237  -5.915
   19   2HD1  ILE   5          HD11      ILE   5   1.049   2.235  -6.741
   20   3HD1  ILE   5          HD13      ILE   5   1.733   1.706  -5.204
   21    H    SER   6           HN       SER   6   7.469   2.595  -6.267
   22    HA   SER   6           HA       SER   6   8.747   0.643  -4.434
   23   1HB   SER   6           HB2      SER   6  10.464   2.654  -4.343
   24   2HB   SER   6           HB1      SER   6  10.421   1.593  -5.747
   25    HG   SER   6           HG       SER   6  10.359   3.778  -6.366
   26    H    CYS   7           HN       CYS   7   6.955   0.892  -2.851
   27    HA   CYS   7           HA       CYS   7   6.864   3.524  -1.492
   28   1HB   CYS   7           HB2      CYS   7   4.899   2.696  -0.361
   29   2HB   CYS   7           HB1      CYS   7   4.745   2.290  -2.071
   30    H    THR   8           HN       THR   8   8.020   3.876   0.313
   31    HA   THR   8           HA       THR   8   9.132   1.514   1.764
   32    HB   THR   8           HB       THR   8  10.839   3.049   2.619
   33    HG1  THR   8           HG1      THR   8  10.654   5.221   1.402
   34   1HG2  THR   8          HG21      THR   8  10.558   2.242  -0.033
   35   2HG2  THR   8          HG23      THR   8  10.988   3.949  -0.150
   36   3HG2  THR   8          HG22      THR   8  12.038   2.833   0.722
   37    H    ASN   9           HN       ASN   9   6.648   3.707   1.899
   38    HA   ASN   9           HA       ASN   9   6.342   3.295   4.819
   39   1HB   ASN   9           HB2      ASN   9   5.647   5.689   5.073
   40   2HB   ASN   9           HB1      ASN   9   7.348   5.513   4.641
   41   1HD2  ASN   9          HD22      ASN   9   6.820   6.696   1.255
   42   2HD2  ASN   9          HD21      ASN   9   7.730   5.558   2.125
   43    HA   PRO  10           HA       PRO  10   2.163   2.609   3.668
   44   1HB   PRO  10           HB2      PRO  10   0.892   3.399   5.973
   45   2HB   PRO  10           HB1      PRO  10   1.788   1.878   5.819
   46   1HG   PRO  10           HG2      PRO  10   2.562   4.387   7.234
   47   2HG   PRO  10           HG1      PRO  10   3.070   2.720   7.550
   48   1HD   PRO  10           HD2      PRO  10   4.597   4.683   6.212
   49   2HD   PRO  10           HD1      PRO  10   4.930   2.938   6.225
   50    H    LYS  11           HN       LYS  11   3.003   5.803   4.887
   51    HA   LYS  11           HA       LYS  11   0.621   7.223   4.480
   52   1HB   LYS  11           HB2      LYS  11   3.509   7.905   4.416
   53   2HB   LYS  11           HB1      LYS  11   2.429   9.050   3.620
   54   1HG   LYS  11           HG2      LYS  11   1.014   8.637   5.872
   55   2HG   LYS  11           HG1      LYS  11   2.634   8.330   6.501
   56   1HD   LYS  11           HD2      LYS  11   2.461  10.636   6.797
   57   2HD   LYS  11           HD1      LYS  11   3.238  10.549   5.216
   58   1HE   LYS  11           HE2      LYS  11   0.435  10.367   4.777
   59   2HE   LYS  11           HE1      LYS  11   0.697  11.706   5.895
   60   1HZ   LYS  11           HZ3      LYS  11   2.565  11.561   3.688
   61   2HZ   LYS  11           HZ2      LYS  11   0.959  11.890   3.242
   62   3HZ   LYS  11           HZ1      LYS  11   1.761  12.902   4.346
   63    H    GLN  12           HN       GLN  12   3.051   6.252   2.077
   64    HA   GLN  12           HA       GLN  12   1.710   7.629  -0.112
   65   1HB   GLN  12           HB2      GLN  12   4.122   6.057   0.267
   66   2HB   GLN  12           HB1      GLN  12   3.269   5.561  -1.195
   67   1HG   GLN  12           HG2      GLN  12   3.631   7.555  -2.245
   68   2HG   GLN  12           HG1      GLN  12   3.451   8.486  -0.756
   69   1HE2  GLN  12          HE22      GLN  12   7.152   7.053  -1.795
   70   2HE2  GLN  12          HE21      GLN  12   5.767   6.432  -2.556
   71    H    CYS  13           HN       CYS  13   1.743   4.323   1.161
   72    HA   CYS  13           HA       CYS  13  -0.017   3.340  -0.956
   73   1HB   CYS  13           HB2      CYS  13   1.037   2.153   1.617
   74   2HB   CYS  13           HB1      CYS  13  -0.135   1.306   0.605
   75    H    TYR  14           HN       TYR  14  -0.527   5.314   1.672
   76    HA   TYR  14           HA       TYR  14  -2.986   4.198   2.673
   77   1HB   TYR  14           HB2      TYR  14  -1.381   6.628   3.080
   78   2HB   TYR  14           HB1      TYR  14  -3.116   6.880   3.242
   79    HD1  TYR  14           HD2      TYR  14  -1.388   3.680   3.917
   80    HD2  TYR  14           HD1      TYR  14  -3.181   7.182   5.640
   81    HE1  TYR  14           HE2      TYR  14  -1.316   2.613   6.155
   82    HE2  TYR  14           HE1      TYR  14  -3.111   6.117   7.877
   83    HH   TYR  14           HH       TYR  14  -1.352   3.969   8.836
   84    HA   PRO  15           HA       PRO  15  -4.972   7.365  -0.301
   85   1HB   PRO  15           HB2      PRO  15  -3.251   8.664  -2.022
   86   2HB   PRO  15           HB1      PRO  15  -3.809   9.330  -0.474
   87   1HG   PRO  15           HG2      PRO  15  -1.136   8.259  -1.204
   88   2HG   PRO  15           HG1      PRO  15  -1.590   9.336   0.119
   89   1HD   PRO  15           HD2      PRO  15  -1.032   6.559   0.360
   90   2HD   PRO  15           HD1      PRO  15  -1.729   7.618   1.599
   91    H    HIS  16           HN       HIS  16  -2.057   5.898  -1.754
   92    HA   HIS  16           HA       HIS  16  -3.174   5.372  -4.317
   93   1HB   HIS  16           HB2      HIS  16  -0.795   5.138  -3.985
   94   2HB   HIS  16           HB1      HIS  16  -1.039   3.908  -2.744
   95    HD1  HIS  16           HD1      HIS  16  -2.790   4.092  -6.112
   96    HD2  HIS  16           HD2      HIS  16  -0.076   1.662  -4.086
   97    HE1  HIS  16           HE1      HIS  16  -2.445   2.042  -7.559
   98    H    CYS  17           HN       CYS  17  -3.305   3.536  -1.284
   99    HA   CYS  17           HA       CYS  17  -4.659   1.264  -2.522
  100   1HB   CYS  17           HB2      CYS  17  -4.038   2.076   0.311
  101   2HB   CYS  17           HB1      CYS  17  -5.133   0.735  -0.016
  102    H    LYS  18           HN       LYS  18  -5.611   4.244  -0.929
  103    HA   LYS  18           HA       LYS  18  -8.272   3.665  -0.244
  104   1HB   LYS  18           HB2      LYS  18  -7.084   5.845   0.166
  105   2HB   LYS  18           HB1      LYS  18  -7.320   6.238  -1.538
  106   1HG   LYS  18           HG2      LYS  18  -9.792   5.918  -1.202
  107   2HG   LYS  18           HG1      LYS  18  -9.482   5.729   0.524
  108   1HD   LYS  18           HD2      LYS  18  -8.203   8.105  -0.638
  109   2HD   LYS  18           HD1      LYS  18  -9.964   8.134  -0.735
  110   1HE   LYS  18           HE2      LYS  18 -10.057   8.687   1.442
  111   2HE   LYS  18           HE1      LYS  18  -9.292   7.150   1.845
  112   1HZ   LYS  18           HZ3      LYS  18  -7.171   8.488   1.064
  113   2HZ   LYS  18           HZ2      LYS  18  -8.110   9.806   1.580
  114   3HZ   LYS  18           HZ1      LYS  18  -7.734   8.551   2.662
  115    H    LYS  19           HN       LYS  19  -6.805   3.839  -3.370
  116    HA   LYS  19           HA       LYS  19  -9.478   3.915  -4.687
  117   1HB   LYS  19           HB2      LYS  19  -7.803   5.490  -5.562
  118   2HB   LYS  19           HB1      LYS  19  -6.686   4.157  -5.856
  119   1HG   LYS  19           HG2      LYS  19  -7.718   4.552  -7.957
  120   2HG   LYS  19           HG1      LYS  19  -8.551   3.139  -7.307
  121   1HD   LYS  19           HD2      LYS  19 -10.432   4.453  -6.619
  122   2HD   LYS  19           HD1      LYS  19  -9.569   5.962  -6.918
  123   1HE   LYS  19           HE2      LYS  19 -10.144   3.951  -9.104
  124   2HE   LYS  19           HE1      LYS  19 -11.239   5.279  -8.719
  125   1HZ   LYS  19           HZ3      LYS  19  -8.471   6.046  -9.026
  126   2HZ   LYS  19           HZ2      LYS  19  -9.193   5.449 -10.444
  127   3HZ   LYS  19           HZ1      LYS  19  -9.875   6.778  -9.635
  128    H    GLU  20           HN       GLU  20  -6.779   1.833  -3.971
  129    HA   GLU  20           HA       GLU  20  -7.387  -0.161  -5.975
  130   1HB   GLU  20           HB2      GLU  20  -5.786  -0.360  -3.410
  131   2HB   GLU  20           HB1      GLU  20  -5.830  -1.591  -4.672
  132   1HG   GLU  20           HG2      GLU  20  -5.253   0.673  -6.118
  133   2HG   GLU  20           HG1      GLU  20  -4.390   0.978  -4.610
  134    H    THR  21           HN       THR  21  -7.679  -0.312  -2.401
  135    HA   THR  21           HA       THR  21  -9.958  -2.205  -2.809
  136    HB   THR  21           HB       THR  21  -9.294  -3.360  -0.942
  137    HG1  THR  21           HG1      THR  21  -7.972  -1.206   0.247
  138   1HG2  THR  21          HG22      THR  21  -6.782  -1.823  -1.653
  139   2HG2  THR  21          HG21      THR  21  -6.807  -3.239  -0.604
  140   3HG2  THR  21          HG23      THR  21  -7.285  -3.386  -2.295
  141    H    GLY  22           HN       GLY  22  -9.529   0.970  -2.355
  142   1HA   GLY  22           HA2      GLY  22 -11.204   2.548  -1.775
  143   2HA   GLY  22           HA1      GLY  22 -12.106   1.250  -0.997
  144    H    TYR  23           HN       TYR  23 -10.124   0.229   0.714
  145    HA   TYR  23           HA       TYR  23 -10.154   2.278   2.800
  146   1HB   TYR  23           HB2      TYR  23  -9.126  -0.563   2.675
  147   2HB   TYR  23           HB1      TYR  23  -8.888   0.458   4.091
  148    HD1  TYR  23           HD2      TYR  23 -11.456   2.000   4.075
  149    HD2  TYR  23           HD1      TYR  23 -10.677  -2.176   3.437
  150    HE1  TYR  23           HE2      TYR  23 -13.746   1.455   4.850
  151    HE2  TYR  23           HE1      TYR  23 -12.969  -2.721   4.214
  152    HH   TYR  23           HH       TYR  23 -14.846  -0.725   5.942
  153    HA   PRO  24           HA       PRO  24  -6.110   3.797   1.877
  154   1HB   PRO  24           HB2      PRO  24  -5.735   5.191   4.219
  155   2HB   PRO  24           HB1      PRO  24  -6.770   5.760   2.899
  156   1HG   PRO  24           HG2      PRO  24  -7.556   4.596   5.530
  157   2HG   PRO  24           HG1      PRO  24  -8.448   5.716   4.487
  158   1HD   PRO  24           HD2      PRO  24  -8.918   2.933   4.713
  159   2HD   PRO  24           HD1      PRO  24  -9.563   4.002   3.450
  160    H    ASN  25           HN       ASN  25  -6.790   2.158   4.949
  161    HA   ASN  25           HA       ASN  25  -4.214   1.800   5.973
  162   1HB   ASN  25           HB2      ASN  25  -5.182  -0.584   6.605
  163   2HB   ASN  25           HB1      ASN  25  -5.851   0.872   7.339
  164   1HD2  ASN  25          HD22      ASN  25  -8.076  -1.204   4.590
  165   2HD2  ASN  25          HD21      ASN  25  -6.413  -1.511   4.731
  166    H    ALA  26           HN       ALA  26  -2.411   0.978   5.040
  167    HA   ALA  26           HA       ALA  26  -2.650  -1.395   3.281
  168   1HB   ALA  26           HB3      ALA  26  -2.727   0.683   1.834
  169   2HB   ALA  26           HB2      ALA  26  -1.107   1.067   2.418
  170   3HB   ALA  26           HB1      ALA  26  -1.382  -0.404   1.483
  171    H    LYS  27           HN       LYS  27  -0.392  -2.270   2.797
  172    HA   LYS  27           HA       LYS  27   1.613  -1.451   4.835
  173   1HB   LYS  27           HB2      LYS  27   0.622  -4.291   4.429
  174   2HB   LYS  27           HB1      LYS  27   1.986  -3.828   5.447
  175   1HG   LYS  27           HG2      LYS  27  -0.696  -2.533   5.867
  176   2HG   LYS  27           HG1      LYS  27  -0.372  -4.129   6.546
  177   1HD   LYS  27           HD2      LYS  27   1.430  -1.732   6.980
  178   2HD   LYS  27           HD1      LYS  27   0.160  -2.216   8.106
  179   1HE   LYS  27           HE2      LYS  27   1.316  -4.054   8.832
  180   2HE   LYS  27           HE1      LYS  27   2.027  -4.360   7.246
  181   1HZ   LYS  27           HZ3      LYS  27   3.066  -1.951   8.061
  182   2HZ   LYS  27           HZ2      LYS  27   3.104  -2.926   9.452
  183   3HZ   LYS  27           HZ1      LYS  27   3.871  -3.444   8.027
  184    H    CYS  28           HN       CYS  28   3.616  -1.379   3.933
  185    HA   CYS  28           HA       CYS  28   3.944  -2.412   1.183
  186   1HB   CYS  28           HB2      CYS  28   5.643  -0.649   2.963
  187   2HB   CYS  28           HB1      CYS  28   6.208  -1.243   1.403
  188    H    MET  29           HN       MET  29   4.332  -4.609   1.247
  189    HA   MET  29           HA       MET  29   6.166  -5.698   3.299
  190   1HB   MET  29           HB2      MET  29   4.078  -6.764   1.531
  191   2HB   MET  29           HB1      MET  29   5.518  -7.782   1.593
  192   1HG   MET  29           HG2      MET  29   4.596  -6.734   4.206
  193   2HG   MET  29           HG1      MET  29   3.519  -7.899   3.436
  194   1HE   MET  29           HE3      MET  29   3.681  -9.750   5.066
  195   2HE   MET  29           HE2      MET  29   5.155 -10.295   5.860
  196   3HE   MET  29           HE1      MET  29   4.579  -8.652   6.124
  197    H    ASN  30           HN       ASN  30   8.291  -6.082   2.873
  198    HA   ASN  30           HA       ASN  30  10.308  -5.928   1.660
  199   1HB   ASN  30           HB2      ASN  30   9.937  -7.431  -0.581
  200   2HB   ASN  30           HB1      ASN  30  10.239  -8.112   1.015
  201   1HD2  ASN  30          HD22      ASN  30   6.999  -9.490   1.330
  202   2HD2  ASN  30          HD21      ASN  30   8.506  -9.229   2.065
  203    H    ARG  31           HN       ARG  31   9.462  -3.585   1.244
  204    HA   ARG  31           HA       ARG  31   9.053  -1.801  -0.223
  205   1HB   ARG  31           HB2      ARG  31  10.763  -1.532  -1.819
  206   2HB   ARG  31           HB1      ARG  31  11.487  -2.570  -0.596
  207   1HG   ARG  31           HG2      ARG  31  11.777  -4.244  -2.078
  208   2HG   ARG  31           HG1      ARG  31  10.111  -4.138  -2.633
  209   1HD   ARG  31           HD2      ARG  31  11.035  -1.908  -3.783
  210   2HD   ARG  31           HD1      ARG  31  12.548  -2.810  -3.713
  211    HE   ARG  31           HE       ARG  31  10.693  -4.612  -4.759
  212   1HH1  ARG  31          HH21      ARG  31  12.419  -1.773  -5.577
  213   2HH1  ARG  31          HH22      ARG  31  11.965  -1.803  -7.247
  214   1HH2  ARG  31          HH11      ARG  31   9.860  -4.536  -6.899
  215   2HH2  ARG  31          HH12      ARG  31  10.516  -3.368  -7.997
  216    H    LYS  32           HN       LYS  32   7.077  -3.794  -0.423
  217    HA   LYS  32           HA       LYS  32   6.320  -3.425  -3.286
  218   1HB   LYS  32           HB2      LYS  32   6.801  -5.950  -1.919
  219   2HB   LYS  32           HB1      LYS  32   5.148  -5.854  -2.527
  220   1HG   LYS  32           HG2      LYS  32   5.886  -5.466  -4.759
  221   2HG   LYS  32           HG1      LYS  32   7.536  -5.130  -4.233
  222   1HD   LYS  32           HD2      LYS  32   6.167  -7.812  -3.885
  223   2HD   LYS  32           HD1      LYS  32   7.243  -7.422  -5.229
  224   1HE   LYS  32           HE2      LYS  32   8.417  -6.712  -2.653
  225   2HE   LYS  32           HE1      LYS  32   8.022  -8.429  -2.746
  226   1HZ   LYS  32           HZ2      LYS  32   9.108  -7.832  -5.183
  227   2HZ   LYS  32           HZ1      LYS  32  10.075  -6.970  -4.084
  228   3HZ   LYS  32           HZ3      LYS  32   9.884  -8.646  -3.910
  229    H    CYS  33           HN       CYS  33   4.824  -1.818  -2.790
  230    HA   CYS  33           HA       CYS  33   3.103  -1.592  -0.628
  231   1HB   CYS  33           HB2      CYS  33   3.337   0.002  -2.601
  232   2HB   CYS  33           HB1      CYS  33   2.216  -1.046  -3.469
  233    H    LYS  34           HN       LYS  34   1.276  -2.622   0.069
  234    HA   LYS  34           HA       LYS  34  -0.125  -4.487  -1.761
  235   1HB   LYS  34           HB2      LYS  34   1.620  -5.795  -0.505
  236   2HB   LYS  34           HB1      LYS  34   0.821  -5.325   0.996
  237   1HG   LYS  34           HG2      LYS  34  -0.106  -7.443   0.482
  238   2HG   LYS  34           HG1      LYS  34  -1.326  -6.292  -0.060
  239   1HD   LYS  34           HD2      LYS  34   0.033  -6.423  -2.333
  240   2HD   LYS  34           HD1      LYS  34   0.536  -7.985  -1.684
  241   1HE   LYS  34           HE2      LYS  34  -1.458  -8.892  -2.195
  242   2HE   LYS  34           HE1      LYS  34  -2.301  -7.636  -1.286
  243   1HZ   LYS  34           HZ2      LYS  34  -2.077  -6.174  -3.223
  244   2HZ   LYS  34           HZ1      LYS  34  -1.357  -7.443  -4.095
  245   3HZ   LYS  34           HZ3      LYS  34  -2.968  -7.575  -3.582
  246    H    CYS  35           HN       CYS  35  -2.070  -3.407  -1.686
  247    HA   CYS  35           HA       CYS  35  -3.096  -2.026   0.595
  248   1HB   CYS  35           HB2      CYS  35  -4.595  -3.223  -1.753
  249   2HB   CYS  35           HB1      CYS  35  -5.231  -2.017  -0.634
  250    H    PHE  36           HN       PHE  36  -5.226  -2.683   1.675
  251    HA   PHE  36           HA       PHE  36  -5.379  -5.634   2.096
  252   1HB   PHE  36           HB2      PHE  36  -4.769  -3.501   4.071
  253   2HB   PHE  36           HB1      PHE  36  -5.917  -4.736   4.591
  254    HD1  PHE  36           HD1      PHE  36  -2.502  -4.214   3.194
  255    HD2  PHE  36           HD2      PHE  36  -5.198  -6.937   5.138
  256    HE1  PHE  36           HE1      PHE  36  -0.629  -5.794   3.577
  257    HE2  PHE  36           HE2      PHE  36  -3.325  -8.517   5.522
  258    HZ   PHE  36           HZ       PHE  36  -1.041  -7.945   4.742
  259    H    GLY  37           HN       GLY  37  -7.253  -5.012   0.545
  260   1HA   GLY  37           HA2      GLY  37  -9.450  -3.440   1.207
  261   2HA   GLY  37           HA1      GLY  37  -9.602  -4.971   0.346
  262    H    ARG  38           HN       ARG  38  -9.541  -6.961   1.813
  263    HA   ARG  38           HA       ARG  38 -11.495  -6.603   3.919
  264   1HB   ARG  38           HB2      ARG  38 -11.498  -8.988   4.091
  265   2HB   ARG  38           HB1      ARG  38 -11.302  -8.625   2.377
  266   1HG   ARG  38           HG2      ARG  38  -8.751  -8.736   2.874
  267   2HG   ARG  38           HG1      ARG  38  -9.233  -9.586   4.344
  268   1HD   ARG  38           HD2      ARG  38 -10.704 -10.672   2.132
  269   2HD   ARG  38           HD1      ARG  38  -8.989 -10.656   1.719
  270    HE   ARG  38           HE       ARG  38  -8.649 -12.327   3.346
  271   1HH1  ARG  38          HH21      ARG  38  -9.597 -10.998   5.754
  272   2HH1  ARG  38          HH22      ARG  38 -11.017 -11.889   6.186
  273   1HH2  ARG  38          HH11      ARG  38 -11.372 -13.347   3.058
  274   2HH2  ARG  38          HH12      ARG  38 -12.024 -13.220   4.659
   
  No H/Q in entry =         274
  Start of MODEL   11
    1   1H    THR   4           HT3      THR   4   1.579  -1.847  -8.601
    2   2H    THR   4           HT2      THR   4   1.962  -3.440  -9.051
    3   3H    THR   4           HT1      THR   4   0.787  -3.150  -7.859
    4    HA   THR   4           HA       THR   4   2.325  -3.249  -6.291
    5    HB   THR   4           HB       THR   4   4.642  -3.826  -6.899
    6    HG1  THR   4           HG1      THR   4   3.847  -2.618  -9.234
    7   1HG2  THR   4          HG21      THR   4   2.267  -5.157  -7.957
    8   2HG2  THR   4          HG23      THR   4   3.720  -5.543  -8.879
    9   3HG2  THR   4          HG22      THR   4   3.672  -5.848  -7.143
   10    H    ILE   5           HN       ILE   5   3.904  -1.915  -5.143
   11    HA   ILE   5           HA       ILE   5   4.451   0.715  -6.448
   12    HB   ILE   5           HB       ILE   5   3.677   0.529  -3.545
   13   1HG1  ILE   5          HG12      ILE   5   1.894  -0.469  -5.135
   14   2HG1  ILE   5          HG11      ILE   5   1.379   0.817  -4.044
   15   1HG2  ILE   5          HG22      ILE   5   4.359   2.597  -5.471
   16   2HG2  ILE   5          HG21      ILE   5   2.785   2.903  -4.735
   17   3HG2  ILE   5          HG23      ILE   5   4.212   2.709  -3.716
   18   1HD1  ILE   5          HD12      ILE   5   2.428   1.905  -6.529
   19   2HD1  ILE   5          HD11      ILE   5   1.095   0.790  -6.828
   20   3HD1  ILE   5          HD13      ILE   5   0.863   2.178  -5.764
   21    H    SER   6           HN       SER   6   6.165   1.936  -5.239
   22    HA   SER   6           HA       SER   6   8.064   0.077  -3.862
   23   1HB   SER   6           HB2      SER   6   9.900   1.393  -4.885
   24   2HB   SER   6           HB1      SER   6   8.883   0.647  -6.114
   25    HG   SER   6           HG       SER   6   8.696   2.616  -6.828
   26    H    CYS   7           HN       CYS   7   7.006   0.883  -1.888
   27    HA   CYS   7           HA       CYS   7   7.951   3.628  -1.164
   28   1HB   CYS   7           HB2      CYS   7   5.906   3.534   0.439
   29   2HB   CYS   7           HB1      CYS   7   5.604   3.841  -1.272
   30    H    THR   8           HN       THR   8   8.615   3.901   1.026
   31    HA   THR   8           HA       THR   8   9.245   1.337   2.427
   32    HB   THR   8           HB       THR   8  11.142   2.491   3.431
   33    HG1  THR   8           HG1      THR   8  11.388   4.612   3.284
   34   1HG2  THR   8          HG22      THR   8  11.456   1.546   1.169
   35   2HG2  THR   8          HG21      THR   8  10.970   3.087   0.463
   36   3HG2  THR   8          HG23      THR   8  12.456   2.979   1.409
   37    H    ASN   9           HN       ASN   9   6.995   3.639   2.450
   38    HA   ASN   9           HA       ASN   9   6.635   3.472   5.397
   39   1HB   ASN   9           HB2      ASN   9   5.861   6.028   4.058
   40   2HB   ASN   9           HB1      ASN   9   6.429   5.752   5.705
   41   1HD2  ASN   9          HD22      ASN   9   9.828   6.294   4.897
   42   2HD2  ASN   9          HD21      ASN   9   8.699   5.905   6.103
   43    HA   PRO  10           HA       PRO  10   2.466   2.633   4.327
   44   1HB   PRO  10           HB2      PRO  10   1.107   3.859   6.375
   45   2HB   PRO  10           HB1      PRO  10   2.031   2.358   6.569
   46   1HG   PRO  10           HG2      PRO  10   2.727   5.122   7.452
   47   2HG   PRO  10           HG1      PRO  10   3.236   3.566   8.128
   48   1HD   PRO  10           HD2      PRO  10   4.797   5.228   6.456
   49   2HD   PRO  10           HD1      PRO  10   5.142   3.532   6.853
   50    H    LYS  11           HN       LYS  11   3.182   6.039   4.950
   51    HA   LYS  11           HA       LYS  11   0.789   7.249   4.108
   52   1HB   LYS  11           HB2      LYS  11   3.379   8.106   4.726
   53   2HB   LYS  11           HB1      LYS  11   3.110   8.666   3.075
   54   1HG   LYS  11           HG2      LYS  11   0.870   9.571   3.870
   55   2HG   LYS  11           HG1      LYS  11   1.415   9.238   5.515
   56   1HD   LYS  11           HD2      LYS  11   3.357  10.697   5.198
   57   2HD   LYS  11           HD1      LYS  11   2.886  10.990   3.524
   58   1HE   LYS  11           HE2      LYS  11   0.705  11.514   5.398
   59   2HE   LYS  11           HE1      LYS  11   2.121  12.518   5.716
   60   1HZ   LYS  11           HZ1      LYS  11   0.795  12.203   3.076
   61   2HZ   LYS  11           HZ3      LYS  11   0.627  13.541   4.105
   62   3HZ   LYS  11           HZ2      LYS  11   2.136  13.193   3.408
   63    H    GLN  12           HN       GLN  12   3.109   5.505   2.197
   64    HA   GLN  12           HA       GLN  12   2.273   6.709  -0.334
   65   1HB   GLN  12           HB2      GLN  12   4.573   5.629   0.321
   66   2HB   GLN  12           HB1      GLN  12   3.771   4.117  -0.109
   67   1HG   GLN  12           HG2      GLN  12   4.136   4.559  -2.272
   68   2HG   GLN  12           HG1      GLN  12   3.139   6.007  -2.127
   69   1HE2  GLN  12          HE22      GLN  12   6.879   6.667  -2.982
   70   2HE2  GLN  12          HE21      GLN  12   5.910   5.367  -3.484
   71    H    CYS  13           HN       CYS  13   1.887   3.507   1.224
   72    HA   CYS  13           HA       CYS  13   0.049   2.620  -0.866
   73   1HB   CYS  13           HB2      CYS  13   0.994   1.456   1.753
   74   2HB   CYS  13           HB1      CYS  13  -0.309   0.701   0.834
   75    H    TYR  14           HN       TYR  14  -0.278   4.676   1.764
   76    HA   TYR  14           HA       TYR  14  -2.851   3.867   2.732
   77   1HB   TYR  14           HB2      TYR  14  -1.023   6.149   3.061
   78   2HB   TYR  14           HB1      TYR  14  -2.726   6.567   3.204
   79    HD1  TYR  14           HD2      TYR  14  -3.825   4.028   4.324
   80    HD2  TYR  14           HD1      TYR  14  -0.241   6.195   5.284
   81    HE1  TYR  14           HE2      TYR  14  -3.848   3.059   6.606
   82    HE2  TYR  14           HE1      TYR  14  -0.266   5.224   7.565
   83    HH   TYR  14           HH       TYR  14  -1.281   3.001   8.603
   84    HA   PRO  15           HA       PRO  15  -4.505   7.090  -0.389
   85   1HB   PRO  15           HB2      PRO  15  -2.653   8.177  -2.119
   86   2HB   PRO  15           HB1      PRO  15  -3.166   8.936  -0.599
   87   1HG   PRO  15           HG2      PRO  15  -0.593   7.610  -1.261
   88   2HG   PRO  15           HG1      PRO  15  -0.964   8.759   0.026
   89   1HD   PRO  15           HD2      PRO  15  -0.663   5.948   0.344
   90   2HD   PRO  15           HD1      PRO  15  -1.262   7.102   1.548
   91    H    HIS  16           HN       HIS  16  -1.713   5.334  -1.773
   92    HA   HIS  16           HA       HIS  16  -2.748   4.873  -4.353
   93   1HB   HIS  16           HB2      HIS  16  -0.483   4.262  -3.980
   94   2HB   HIS  16           HB1      HIS  16  -0.899   3.254  -2.595
   95    HD1  HIS  16           HD1      HIS  16  -2.401   3.255  -6.102
   96    HD2  HIS  16           HD2      HIS  16  -0.395   0.689  -3.500
   97    HE1  HIS  16           HE1      HIS  16  -2.350   0.987  -7.230
   98    H    CYS  17           HN       CYS  17  -3.264   3.030  -1.349
   99    HA   CYS  17           HA       CYS  17  -5.036   1.135  -2.734
  100   1HB   CYS  17           HB2      CYS  17  -4.583   1.454   0.245
  101   2HB   CYS  17           HB1      CYS  17  -5.249   0.048  -0.585
  102    H    LYS  18           HN       LYS  18  -5.314   4.121  -0.987
  103    HA   LYS  18           HA       LYS  18  -7.962   3.935  -0.013
  104   1HB   LYS  18           HB2      LYS  18  -6.200   5.828   0.262
  105   2HB   LYS  18           HB1      LYS  18  -6.875   6.465  -1.237
  106   1HG   LYS  18           HG2      LYS  18  -8.830   5.668   0.857
  107   2HG   LYS  18           HG1      LYS  18  -7.866   7.106   1.191
  108   1HD   LYS  18           HD2      LYS  18  -8.673   7.314  -1.511
  109   2HD   LYS  18           HD1      LYS  18 -10.103   6.815  -0.607
  110   1HE   LYS  18           HE2      LYS  18  -9.176   8.688   1.086
  111   2HE   LYS  18           HE1      LYS  18  -8.528   9.335  -0.420
  112   1HZ   LYS  18           HZ3      LYS  18 -11.056   8.627  -1.082
  113   2HZ   LYS  18           HZ2      LYS  18 -11.244   9.212   0.502
  114   3HZ   LYS  18           HZ1      LYS  18 -10.547  10.199  -0.695
  115    H    LYS  19           HN       LYS  19  -6.803   4.115  -3.271
  116    HA   LYS  19           HA       LYS  19  -9.596   4.645  -4.210
  117   1HB   LYS  19           HB2      LYS  19  -7.494   4.827  -6.248
  118   2HB   LYS  19           HB1      LYS  19  -8.783   5.966  -5.862
  119   1HG   LYS  19           HG2      LYS  19  -7.383   6.576  -3.784
  120   2HG   LYS  19           HG1      LYS  19  -6.059   5.724  -4.582
  121   1HD   LYS  19           HD2      LYS  19  -6.898   7.263  -6.637
  122   2HD   LYS  19           HD1      LYS  19  -7.345   8.308  -5.289
  123   1HE   LYS  19           HE2      LYS  19  -5.093   8.888  -5.890
  124   2HE   LYS  19           HE1      LYS  19  -4.995   7.969  -4.389
  125   1HZ   LYS  19           HZ3      LYS  19  -4.910   6.390  -6.812
  126   2HZ   LYS  19           HZ2      LYS  19  -3.574   7.413  -6.578
  127   3HZ   LYS  19           HZ1      LYS  19  -3.982   6.261  -5.398
  128    H    GLU  20           HN       GLU  20  -6.971   2.397  -4.172
  129    HA   GLU  20           HA       GLU  20  -7.715   0.869  -6.486
  130   1HB   GLU  20           HB2      GLU  20  -6.074   0.279  -4.027
  131   2HB   GLU  20           HB1      GLU  20  -6.393  -0.967  -5.234
  132   1HG   GLU  20           HG2      GLU  20  -5.166   1.737  -5.844
  133   2HG   GLU  20           HG1      GLU  20  -4.248   0.244  -5.650
  134    H    THR  21           HN       THR  21  -8.423   0.460  -3.007
  135    HA   THR  21           HA       THR  21 -10.743  -1.239  -3.823
  136    HB   THR  21           HB       THR  21  -9.067  -2.754  -2.962
  137    HG1  THR  21           HG1      THR  21 -10.506  -2.475  -0.631
  138   1HG2  THR  21          HG22      THR  21  -7.741  -0.964  -1.804
  139   2HG2  THR  21          HG21      THR  21  -8.935  -0.987  -0.505
  140   3HG2  THR  21          HG23      THR  21  -7.961  -2.420  -0.833
  141    H    GLY  22           HN       GLY  22 -10.086   1.656  -2.705
  142   1HA   GLY  22           HA2      GLY  22 -11.563   3.155  -1.614
  143   2HA   GLY  22           HA1      GLY  22 -12.508   1.772  -1.072
  144    H    TYR  23           HN       TYR  23 -10.538   0.262   0.211
  145    HA   TYR  23           HA       TYR  23 -10.243   1.788   2.680
  146   1HB   TYR  23           HB2      TYR  23  -9.576  -1.031   1.843
  147   2HB   TYR  23           HB1      TYR  23  -9.048  -0.392   3.398
  148    HD1  TYR  23           HD2      TYR  23 -12.130   0.980   2.058
  149    HD2  TYR  23           HD1      TYR  23 -10.486  -2.187   4.451
  150    HE1  TYR  23           HE2      TYR  23 -14.377   0.529   3.008
  151    HE2  TYR  23           HE1      TYR  23 -12.732  -2.636   5.399
  152    HH   TYR  23           HH       TYR  23 -14.911  -1.158   5.736
  153    HA   PRO  24           HA       PRO  24  -6.177   3.147   1.394
  154   1HB   PRO  24           HB2      PRO  24  -5.778   4.786   3.567
  155   2HB   PRO  24           HB1      PRO  24  -6.740   5.248   2.152
  156   1HG   PRO  24           HG2      PRO  24  -7.667   4.451   4.874
  157   2HG   PRO  24           HG1      PRO  24  -8.456   5.495   3.681
  158   1HD   PRO  24           HD2      PRO  24  -9.122   2.799   4.206
  159   2HD   PRO  24           HD1      PRO  24  -9.640   3.743   2.792
  160    H    ASN  25           HN       ASN  25  -7.096   1.515   4.316
  161    HA   ASN  25           HA       ASN  25  -4.673   1.299   5.717
  162   1HB   ASN  25           HB2      ASN  25  -7.139  -0.288   5.484
  163   2HB   ASN  25           HB1      ASN  25  -5.723  -1.243   5.924
  164   1HD2  ASN  25          HD22      ASN  25  -7.238   0.209   9.044
  165   2HD2  ASN  25          HD21      ASN  25  -7.833  -0.782   7.802
  166    H    ALA  26           HN       ALA  26  -2.718   0.760   4.863
  167    HA   ALA  26           HA       ALA  26  -2.400  -1.765   3.438
  168   1HB   ALA  26           HB1      ALA  26  -3.136  -0.270   1.602
  169   2HB   ALA  26           HB3      ALA  26  -1.808   0.829   1.981
  170   3HB   ALA  26           HB2      ALA  26  -1.467  -0.794   1.382
  171    H    LYS  27           HN       LYS  27  -0.055  -2.164   2.969
  172    HA   LYS  27           HA       LYS  27   1.761  -0.419   4.569
  173   1HB   LYS  27           HB2      LYS  27   1.563  -3.443   4.724
  174   2HB   LYS  27           HB1      LYS  27   2.843  -2.486   5.469
  175   1HG   LYS  27           HG2      LYS  27   0.991  -1.184   6.655
  176   2HG   LYS  27           HG1      LYS  27  -0.110  -2.452   6.114
  177   1HD   LYS  27           HD2      LYS  27   2.349  -3.491   7.337
  178   2HD   LYS  27           HD1      LYS  27   1.366  -2.529   8.443
  179   1HE   LYS  27           HE2      LYS  27  -0.471  -3.959   8.268
  180   2HE   LYS  27           HE1      LYS  27   0.050  -4.599   6.708
  181   1HZ   LYS  27           HZ1      LYS  27   1.971  -5.079   8.764
  182   2HZ   LYS  27           HZ3      LYS  27   0.463  -5.751   9.153
  183   3HZ   LYS  27           HZ2      LYS  27   1.231  -6.178   7.699
  184    H    CYS  28           HN       CYS  28   4.073  -0.782   3.975
  185    HA   CYS  28           HA       CYS  28   4.285  -1.633   1.117
  186   1HB   CYS  28           HB2      CYS  28   6.028   0.253   2.735
  187   2HB   CYS  28           HB1      CYS  28   6.311  -0.195   1.053
  188    H    MET  29           HN       MET  29   5.239  -3.587   0.874
  189    HA   MET  29           HA       MET  29   6.968  -4.632   3.037
  190   1HB   MET  29           HB2      MET  29   5.267  -5.771   0.970
  191   2HB   MET  29           HB1      MET  29   6.861  -6.526   0.980
  192   1HG   MET  29           HG2      MET  29   5.232  -6.109   3.495
  193   2HG   MET  29           HG1      MET  29   5.136  -7.582   2.530
  194   1HE   MET  29           HE3      MET  29   5.616  -6.992   5.320
  195   2HE   MET  29           HE2      MET  29   6.561  -8.442   5.649
  196   3HE   MET  29           HE1      MET  29   7.260  -6.856   5.958
  197    H    ASN  30           HN       ASN  30   8.629  -6.293   1.464
  198    HA   ASN  30           HA       ASN  30  10.867  -4.713   0.985
  199   1HB   ASN  30           HB2      ASN  30  11.601  -6.570  -0.588
  200   2HB   ASN  30           HB1      ASN  30  11.106  -7.100   1.021
  201   1HD2  ASN  30          HD22      ASN  30   8.392  -9.009  -0.170
  202   2HD2  ASN  30          HD21      ASN  30   9.313  -8.515   1.168
  203    H    ARG  31           HN       ARG  31  10.272  -2.771  -0.120
  204    HA   ARG  31           HA       ARG  31   9.857  -1.416  -1.992
  205   1HB   ARG  31           HB2      ARG  31  11.100  -3.811  -3.379
  206   2HB   ARG  31           HB1      ARG  31  10.939  -2.196  -4.070
  207   1HG   ARG  31           HG2      ARG  31  12.215  -1.398  -1.953
  208   2HG   ARG  31           HG1      ARG  31  12.669  -3.093  -1.771
  209   1HD   ARG  31           HD2      ARG  31  13.216  -2.725  -4.408
  210   2HD   ARG  31           HD1      ARG  31  13.549  -1.108  -3.786
  211    HE   ARG  31           HE       ARG  31  14.833  -2.856  -2.020
  212   1HH1  ARG  31          HH11      ARG  31  15.735  -0.860  -4.392
  213   2HH1  ARG  31          HH12      ARG  31  17.013  -1.829  -5.046
  214   1HH2  ARG  31          HH21      ARG  31  16.107  -4.680  -3.290
  215   2HH2  ARG  31          HH22      ARG  31  17.222  -3.994  -4.424
  216    H    LYS  32           HN       LYS  32   7.626  -2.954  -1.153
  217    HA   LYS  32           HA       LYS  32   6.178  -3.112  -3.730
  218   1HB   LYS  32           HB2      LYS  32   5.250  -5.304  -3.275
  219   2HB   LYS  32           HB1      LYS  32   7.008  -5.428  -3.212
  220   1HG   LYS  32           HG2      LYS  32   6.991  -5.989  -1.024
  221   2HG   LYS  32           HG1      LYS  32   5.837  -4.715  -0.626
  222   1HD   LYS  32           HD2      LYS  32   4.203  -6.251  -0.474
  223   2HD   LYS  32           HD1      LYS  32   4.457  -6.676  -2.166
  224   1HE   LYS  32           HE2      LYS  32   6.496  -8.041  -1.230
  225   2HE   LYS  32           HE1      LYS  32   5.616  -7.948   0.296
  226   1HZ   LYS  32           HZ3      LYS  32   3.782  -8.607  -1.689
  227   2HZ   LYS  32           HZ2      LYS  32   5.129  -9.619  -1.913
  228   3HZ   LYS  32           HZ1      LYS  32   4.330  -9.583  -0.414
  229    H    CYS  33           HN       CYS  33   3.728  -3.586  -3.150
  230    HA   CYS  33           HA       CYS  33   3.088  -1.997  -0.696
  231   1HB   CYS  33           HB2      CYS  33   2.601  -0.870  -2.907
  232   2HB   CYS  33           HB1      CYS  33   1.432  -2.150  -3.229
  233    H    LYS  34           HN       LYS  34   0.952  -2.541   0.275
  234    HA   LYS  34           HA       LYS  34  -0.152  -5.187  -0.441
  235   1HB   LYS  34           HB2      LYS  34   1.832  -5.185   1.398
  236   2HB   LYS  34           HB1      LYS  34   0.455  -4.856   2.452
  237   1HG   LYS  34           HG2      LYS  34  -0.708  -6.822   1.275
  238   2HG   LYS  34           HG1      LYS  34   0.884  -7.231   0.635
  239   1HD   LYS  34           HD2      LYS  34   0.125  -7.002   3.562
  240   2HD   LYS  34           HD1      LYS  34   0.511  -8.486   2.691
  241   1HE   LYS  34           HE2      LYS  34   2.791  -7.861   2.422
  242   2HE   LYS  34           HE1      LYS  34   2.465  -6.189   2.876
  243   1HZ   LYS  34           HZ2      LYS  34   1.658  -8.056   4.889
  244   2HZ   LYS  34           HZ1      LYS  34   3.319  -8.162   4.545
  245   3HZ   LYS  34           HZ3      LYS  34   2.646  -6.681   5.022
  246    H    CYS  35           HN       CYS  35  -1.966  -3.721  -0.953
  247    HA   CYS  35           HA       CYS  35  -3.201  -2.072   1.052
  248   1HB   CYS  35           HB2      CYS  35  -4.567  -3.375  -1.317
  249   2HB   CYS  35           HB1      CYS  35  -5.057  -1.904  -0.477
  250    H    PHE  36           HN       PHE  36  -5.322  -2.519   2.076
  251    HA   PHE  36           HA       PHE  36  -5.570  -5.411   2.794
  252   1HB   PHE  36           HB2      PHE  36  -5.967  -2.865   4.323
  253   2HB   PHE  36           HB1      PHE  36  -6.929  -4.274   4.767
  254    HD1  PHE  36           HD2      PHE  36  -3.464  -3.012   4.338
  255    HD2  PHE  36           HD1      PHE  36  -5.952  -6.150   5.889
  256    HE1  PHE  36           HE2      PHE  36  -1.518  -3.952   5.554
  257    HE2  PHE  36           HE1      PHE  36  -4.006  -7.091   7.104
  258    HZ   PHE  36           HZ       PHE  36  -1.789  -5.992   6.939
  259    H    GLY  37           HN       GLY  37  -6.782  -4.543   0.419
  260   1HA   GLY  37           HA2      GLY  37  -9.428  -3.597   0.597
  261   2HA   GLY  37           HA1      GLY  37  -8.865  -4.705  -0.655
  262    H    ARG  38           HN       ARG  38  -8.112  -6.602   1.669
  263    HA   ARG  38           HA       ARG  38 -10.825  -7.757   1.924
  264   1HB   ARG  38           HB2      ARG  38  -8.379  -9.321   2.620
  265   2HB   ARG  38           HB1      ARG  38  -9.881  -9.867   1.874
  266   1HG   ARG  38           HG2      ARG  38  -9.226  -8.559  -0.190
  267   2HG   ARG  38           HG1      ARG  38  -7.651  -8.295   0.559
  268   1HD   ARG  38           HD2      ARG  38  -8.350 -11.087   0.740
  269   2HD   ARG  38           HD1      ARG  38  -8.479 -10.551  -0.935
  270    HE   ARG  38           HE       ARG  38  -5.998 -10.423   0.715
  271   1HH1  ARG  38          HH11      ARG  38  -6.802  -8.494  -1.704
  272   2HH1  ARG  38          HH12      ARG  38  -5.771  -9.168  -2.922
  273   1HH2  ARG  38          HH21      ARG  38  -5.049 -12.032  -1.106
  274   2HH2  ARG  38          HH22      ARG  38  -4.781 -11.170  -2.585
   
  No H/Q in entry =         274
  Start of MODEL   12
    1   1H    THR   4           HT2      THR   4   7.357  -2.545  -9.273
    2   2H    THR   4           HT1      THR   4   7.275  -3.737  -8.065
    3   3H    THR   4           HT3      THR   4   6.484  -3.976  -9.546
    4    HA   THR   4           HA       THR   4   4.726  -2.704  -9.001
    5    HB   THR   4           HB       THR   4   5.193  -4.396  -7.121
    6    HG1  THR   4           HG1      THR   4   3.468  -3.616  -5.996
    7   1HG2  THR   4          HG22      THR   4   6.882  -2.350  -6.249
    8   2HG2  THR   4          HG21      THR   4   5.507  -2.290  -5.147
    9   3HG2  THR   4          HG23      THR   4   6.420  -3.786  -5.336
   10    H    ILE   5           HN       ILE   5   4.651  -1.137  -6.393
   11    HA   ILE   5           HA       ILE   5   5.853   1.338  -7.527
   12    HB   ILE   5           HB       ILE   5   4.049   1.313  -5.132
   13   1HG1  ILE   5          HG12      ILE   5   3.073   1.172  -8.002
   14   2HG1  ILE   5          HG11      ILE   5   3.024  -0.186  -6.875
   15   1HG2  ILE   5          HG21      ILE   5   4.624   3.171  -7.444
   16   2HG2  ILE   5          HG23      ILE   5   3.262   3.420  -6.350
   17   3HG2  ILE   5          HG22      ILE   5   4.912   3.451  -5.727
   18   1HD1  ILE   5          HD12      ILE   5   1.847   1.706  -5.345
   19   2HD1  ILE   5          HD11      ILE   5   1.365   2.278  -6.941
   20   3HD1  ILE   5          HD13      ILE   5   0.938   0.648  -6.425
   21    H    SER   6           HN       SER   6   6.883   2.840  -5.973
   22    HA   SER   6           HA       SER   6   8.447   1.329  -3.933
   23   1HB   SER   6           HB2      SER   6   9.790   3.607  -4.041
   24   2HB   SER   6           HB1      SER   6  10.012   2.390  -5.296
   25    HG   SER   6           HG       SER   6   9.259   4.856  -5.629
   26    H    CYS   7           HN       CYS   7   7.858   1.652  -1.824
   27    HA   CYS   7           HA       CYS   7   6.598   4.263  -1.140
   28   1HB   CYS   7           HB2      CYS   7   5.157   2.946   0.488
   29   2HB   CYS   7           HB1      CYS   7   4.768   2.729  -1.219
   30    H    THR   8           HN       THR   8   8.206   1.397   0.128
   31    HA   THR   8           HA       THR   8   9.617   1.148   2.001
   32    HB   THR   8           HB       THR   8  11.237   2.831   2.293
   33    HG1  THR   8           HG1      THR   8  10.581   5.049   1.501
   34   1HG2  THR   8          HG23      THR   8  10.315   2.295  -0.327
   35   2HG2  THR   8          HG22      THR   8  10.707   4.014  -0.275
   36   3HG2  THR   8          HG21      THR   8  11.928   2.817   0.158
   37    H    ASN   9           HN       ASN   9   6.730   2.166   2.151
   38    HA   ASN   9           HA       ASN   9   6.412   2.234   4.953
   39   1HB   ASN   9           HB2      ASN   9   5.709   4.784   4.986
   40   2HB   ASN   9           HB1      ASN   9   7.399   4.335   5.222
   41   1HD2  ASN   9          HD22      ASN   9   8.387   6.247   2.450
   42   2HD2  ASN   9          HD21      ASN   9   8.747   5.649   3.996
   43    HA   PRO  10           HA       PRO  10   2.229   1.959   3.629
   44   1HB   PRO  10           HB2      PRO  10   0.905   2.984   5.810
   45   2HB   PRO  10           HB1      PRO  10   1.651   1.376   5.779
   46   1HG   PRO  10           HG2      PRO  10   2.592   3.864   7.129
   47   2HG   PRO  10           HG1      PRO  10   2.903   2.173   7.554
   48   1HD   PRO  10           HD2      PRO  10   4.710   3.893   6.241
   49   2HD   PRO  10           HD1      PRO  10   4.848   2.126   6.340
   50    H    LYS  11           HN       LYS  11   3.305   5.108   4.756
   51    HA   LYS  11           HA       LYS  11   1.146   6.765   4.188
   52   1HB   LYS  11           HB2      LYS  11   3.984   7.421   3.367
   53   2HB   LYS  11           HB1      LYS  11   2.719   8.548   3.856
   54   1HG   LYS  11           HG2      LYS  11   2.837   6.813   6.002
   55   2HG   LYS  11           HG1      LYS  11   4.528   6.940   5.517
   56   1HD   LYS  11           HD2      LYS  11   4.312   8.759   6.969
   57   2HD   LYS  11           HD1      LYS  11   4.020   9.512   5.400
   58   1HE   LYS  11           HE2      LYS  11   1.514   8.878   5.879
   59   2HE   LYS  11           HE1      LYS  11   2.052   8.813   7.557
   60   1HZ   LYS  11           HZ3      LYS  11   2.598  11.128   5.794
   61   2HZ   LYS  11           HZ2      LYS  11   1.200  11.020   6.754
   62   3HZ   LYS  11           HZ1      LYS  11   2.734  11.047   7.483
   63    H    GLN  12           HN       GLN  12   3.144   5.010   1.915
   64    HA   GLN  12           HA       GLN  12   2.110   6.534  -0.389
   65   1HB   GLN  12           HB2      GLN  12   4.125   4.391   0.041
   66   2HB   GLN  12           HB1      GLN  12   3.336   4.429  -1.536
   67   1HG   GLN  12           HG2      GLN  12   4.006   7.114  -0.816
   68   2HG   GLN  12           HG1      GLN  12   5.437   6.111  -0.577
   69   1HE2  GLN  12          HE22      GLN  12   5.932   6.683  -4.068
   70   2HE2  GLN  12          HE21      GLN  12   6.424   7.145  -2.511
   71    H    CYS  13           HN       CYS  13   1.646   3.337   1.090
   72    HA   CYS  13           HA       CYS  13  -0.258   2.536  -0.985
   73   1HB   CYS  13           HB2      CYS  13   0.392   1.259   1.689
   74   2HB   CYS  13           HB1      CYS  13  -0.576   0.526   0.410
   75    H    TYR  14           HN       TYR  14  -0.443   4.643   1.584
   76    HA   TYR  14           HA       TYR  14  -3.030   3.928   2.627
   77   1HB   TYR  14           HB2      TYR  14  -1.077   6.102   2.966
   78   2HB   TYR  14           HB1      TYR  14  -2.754   6.607   3.142
   79    HD1  TYR  14           HD1      TYR  14  -4.264   5.041   4.633
   80    HD2  TYR  14           HD2      TYR  14   0.028   5.124   4.765
   81    HE1  TYR  14           HE1      TYR  14  -4.313   4.016   6.890
   82    HE2  TYR  14           HE2      TYR  14  -0.021   4.101   7.022
   83    HH   TYR  14           HH       TYR  14  -1.358   2.979   8.502
   84    HA   PRO  15           HA       PRO  15  -4.544   7.254  -0.443
   85   1HB   PRO  15           HB2      PRO  15  -2.660   8.258  -2.187
   86   2HB   PRO  15           HB1      PRO  15  -3.106   9.029  -0.653
   87   1HG   PRO  15           HG2      PRO  15  -0.616   7.590  -1.373
   88   2HG   PRO  15           HG1      PRO  15  -0.916   8.717  -0.047
   89   1HD   PRO  15           HD2      PRO  15  -0.767   5.873   0.167
   90   2HD   PRO  15           HD1      PRO  15  -1.241   7.025   1.428
   91    H    HIS  16           HN       HIS  16  -1.862   5.362  -1.843
   92    HA   HIS  16           HA       HIS  16  -2.999   4.942  -4.408
   93   1HB   HIS  16           HB2      HIS  16  -0.704   4.331  -4.062
   94   2HB   HIS  16           HB1      HIS  16  -1.126   3.248  -2.736
   95    HD1  HIS  16           HD1      HIS  16  -2.907   3.423  -6.076
   96    HD2  HIS  16           HD2      HIS  16  -0.459   0.810  -3.943
   97    HE1  HIS  16           HE1      HIS  16  -2.879   1.249  -7.374
   98    H    CYS  17           HN       CYS  17  -3.218   2.932  -1.455
   99    HA   CYS  17           HA       CYS  17  -5.059   1.049  -2.657
  100   1HB   CYS  17           HB2      CYS  17  -4.327   1.655   0.219
  101   2HB   CYS  17           HB1      CYS  17  -5.464   0.385  -0.233
  102    H    LYS  18           HN       LYS  18  -5.393   4.097  -0.972
  103    HA   LYS  18           HA       LYS  18  -8.049   4.030  -0.104
  104   1HB   LYS  18           HB2      LYS  18  -6.826   5.996   0.381
  105   2HB   LYS  18           HB1      LYS  18  -6.370   6.233  -1.302
  106   1HG   LYS  18           HG2      LYS  18  -8.067   7.853  -0.839
  107   2HG   LYS  18           HG1      LYS  18  -8.847   6.596  -1.794
  108   1HD   LYS  18           HD2      LYS  18  -9.810   5.599   0.193
  109   2HD   LYS  18           HD1      LYS  18  -8.895   6.691   1.234
  110   1HE   LYS  18           HE2      LYS  18 -11.257   7.430   0.931
  111   2HE   LYS  18           HE1      LYS  18 -10.097   8.617   0.332
  112   1HZ   LYS  18           HZ3      LYS  18 -10.393   7.644  -1.902
  113   2HZ   LYS  18           HZ2      LYS  18 -11.618   6.642  -1.282
  114   3HZ   LYS  18           HZ1      LYS  18 -11.816   8.330  -1.285
  115    H    LYS  19           HN       LYS  19  -6.843   4.000  -3.375
  116    HA   LYS  19           HA       LYS  19  -9.640   4.362  -4.369
  117   1HB   LYS  19           HB2      LYS  19  -7.132   4.515  -6.049
  118   2HB   LYS  19           HB1      LYS  19  -8.744   5.112  -6.444
  119   1HG   LYS  19           HG2      LYS  19  -7.890   6.286  -3.961
  120   2HG   LYS  19           HG1      LYS  19  -6.639   6.534  -5.179
  121   1HD   LYS  19           HD2      LYS  19  -9.306   6.964  -6.274
  122   2HD   LYS  19           HD1      LYS  19  -8.983   8.025  -4.902
  123   1HE   LYS  19           HE2      LYS  19  -6.708   7.784  -6.741
  124   2HE   LYS  19           HE1      LYS  19  -8.140   8.483  -7.493
  125   1HZ   LYS  19           HZ2      LYS  19  -8.169   9.816  -5.236
  126   2HZ   LYS  19           HZ1      LYS  19  -6.500   9.508  -5.307
  127   3HZ   LYS  19           HZ3      LYS  19  -7.262  10.341  -6.573
  128    H    GLU  20           HN       GLU  20  -7.020   2.115  -4.086
  129    HA   GLU  20           HA       GLU  20  -7.759   0.381  -6.257
  130   1HB   GLU  20           HB2      GLU  20  -6.153  -0.014  -3.733
  131   2HB   GLU  20           HB1      GLU  20  -6.463  -1.344  -4.849
  132   1HG   GLU  20           HG2      GLU  20  -5.260   1.296  -5.718
  133   2HG   GLU  20           HG1      GLU  20  -4.289  -0.102  -5.255
  134    H    THR  21           HN       THR  21  -8.241  -0.032  -2.728
  135    HA   THR  21           HA       THR  21 -10.748  -1.523  -3.395
  136    HB   THR  21           HB       THR  21  -9.228  -3.179  -2.602
  137    HG1  THR  21           HG1      THR  21 -11.342  -2.845  -1.447
  138   1HG2  THR  21          HG22      THR  21  -8.401  -1.010  -0.696
  139   2HG2  THR  21          HG21      THR  21  -8.110  -2.700  -0.282
  140   3HG2  THR  21          HG23      THR  21  -7.396  -2.015  -1.742
  141    H    GLY  22           HN       GLY  22 -10.397   1.329  -2.754
  142   1HA   GLY  22           HA2      GLY  22 -11.621   2.899  -1.514
  143   2HA   GLY  22           HA1      GLY  22 -12.463   1.550  -0.756
  144    H    TYR  23           HN       TYR  23 -11.418   0.499   1.086
  145    HA   TYR  23           HA       TYR  23 -10.463   2.153   3.077
  146   1HB   TYR  23           HB2      TYR  23  -9.959  -0.760   2.515
  147   2HB   TYR  23           HB1      TYR  23  -9.214   0.018   3.910
  148    HD1  TYR  23           HD2      TYR  23 -12.376   1.419   2.835
  149    HD2  TYR  23           HD1      TYR  23 -10.586  -1.608   5.304
  150    HE1  TYR  23           HE2      TYR  23 -14.499   1.190   4.097
  151    HE2  TYR  23           HE1      TYR  23 -12.710  -1.836   6.564
  152    HH   TYR  23           HH       TYR  23 -14.742  -0.960   6.915
  153    HA   PRO  24           HA       PRO  24  -6.460   3.289   1.476
  154   1HB   PRO  24           HB2      PRO  24  -5.795   4.929   3.576
  155   2HB   PRO  24           HB1      PRO  24  -6.890   5.412   2.270
  156   1HG   PRO  24           HG2      PRO  24  -7.538   4.664   5.083
  157   2HG   PRO  24           HG1      PRO  24  -8.430   5.711   3.967
  158   1HD   PRO  24           HD2      PRO  24  -9.074   3.024   4.600
  159   2HD   PRO  24           HD1      PRO  24  -9.752   3.976   3.261
  160    H    ASN  25           HN       ASN  25  -7.141   1.693   4.473
  161    HA   ASN  25           HA       ASN  25  -4.629   1.447   5.685
  162   1HB   ASN  25           HB2      ASN  25  -6.735  -0.714   5.375
  163   2HB   ASN  25           HB1      ASN  25  -5.426  -0.726   6.555
  164   1HD2  ASN  25          HD22      ASN  25  -7.453   1.022   8.833
  165   2HD2  ASN  25          HD21      ASN  25  -6.353  -0.241   8.556
  166    H    ALA  26           HN       ALA  26  -2.729   0.606   4.998
  167    HA   ALA  26           HA       ALA  26  -2.600  -1.773   3.331
  168   1HB   ALA  26           HB3      ALA  26  -3.125  -0.017   1.634
  169   2HB   ALA  26           HB2      ALA  26  -1.672   0.852   2.123
  170   3HB   ALA  26           HB1      ALA  26  -1.537  -0.743   1.386
  171    H    LYS  27           HN       LYS  27  -0.254  -2.330   2.888
  172    HA   LYS  27           HA       LYS  27   1.618  -0.903   4.720
  173   1HB   LYS  27           HB2      LYS  27   0.923  -3.836   4.698
  174   2HB   LYS  27           HB1      LYS  27   2.501  -3.290   5.266
  175   1HG   LYS  27           HG2      LYS  27   1.202  -1.646   6.764
  176   2HG   LYS  27           HG1      LYS  27  -0.222  -2.619   6.390
  177   1HD   LYS  27           HD2      LYS  27   0.600  -3.590   8.376
  178   2HD   LYS  27           HD1      LYS  27   1.232  -4.643   7.110
  179   1HE   LYS  27           HE2      LYS  27   3.402  -3.795   7.303
  180   2HE   LYS  27           HE1      LYS  27   2.854  -2.286   8.030
  181   1HZ   LYS  27           HZ3      LYS  27   2.104  -4.529   9.608
  182   2HZ   LYS  27           HZ2      LYS  27   3.783  -4.507   9.352
  183   3HZ   LYS  27           HZ1      LYS  27   3.009  -3.164  10.047
  184    H    CYS  28           HN       CYS  28   3.934  -2.071   4.319
  185    HA   CYS  28           HA       CYS  28   4.231  -2.515   1.381
  186   1HB   CYS  28           HB2      CYS  28   5.705  -0.558   3.140
  187   2HB   CYS  28           HB1      CYS  28   6.440  -1.185   1.664
  188    H    MET  29           HN       MET  29   5.979  -3.901   0.817
  189    HA   MET  29           HA       MET  29   7.463  -5.128   3.091
  190   1HB   MET  29           HB2      MET  29   5.566  -6.429   1.228
  191   2HB   MET  29           HB1      MET  29   7.093  -7.281   1.465
  192   1HG   MET  29           HG2      MET  29   5.396  -6.270   3.758
  193   2HG   MET  29           HG1      MET  29   5.257  -7.902   3.105
  194   1HE   MET  29           HE1      MET  29   5.482  -8.982   4.822
  195   2HE   MET  29           HE3      MET  29   7.013  -9.864   4.904
  196   3HE   MET  29           HE2      MET  29   6.564  -8.748   6.192
  197    H    ASN  30           HN       ASN  30   9.491  -4.402   2.552
  198    HA   ASN  30           HA       ASN  30  11.371  -3.917   1.207
  199   1HB   ASN  30           HB2      ASN  30  12.022  -6.019  -0.156
  200   2HB   ASN  30           HB1      ASN  30  11.891  -6.186   1.596
  201   1HD2  ASN  30          HD22      ASN  30   9.200  -8.465   1.434
  202   2HD2  ASN  30          HD21      ASN  30  10.271  -7.595   2.422
  203    H    ARG  31           HN       ARG  31  10.258  -2.246  -0.064
  204    HA   ARG  31           HA       ARG  31   9.707  -1.245  -2.107
  205   1HB   ARG  31           HB2      ARG  31  11.298  -3.657  -2.957
  206   2HB   ARG  31           HB1      ARG  31  10.591  -2.576  -4.157
  207   1HG   ARG  31           HG2      ARG  31  11.741  -0.795  -2.411
  208   2HG   ARG  31           HG1      ARG  31  12.882  -2.138  -2.357
  209   1HD   ARG  31           HD2      ARG  31  12.142  -1.774  -5.079
  210   2HD   ARG  31           HD1      ARG  31  12.534  -0.183  -4.427
  211    HE   ARG  31           HE       ARG  31  14.420  -2.483  -4.128
  212   1HH1  ARG  31          HH21      ARG  31  15.922  -0.651  -2.948
  213   2HH1  ARG  31          HH22      ARG  31  16.551   0.431  -4.145
  214   1HH2  ARG  31          HH11      ARG  31  14.239  -0.477  -6.564
  215   2HH2  ARG  31          HH12      ARG  31  15.599   0.529  -6.193
  216    H    LYS  32           HN       LYS  32   7.910  -3.421  -0.856
  217    HA   LYS  32           HA       LYS  32   6.310  -3.935  -3.336
  218   1HB   LYS  32           HB2      LYS  32   7.345  -5.904  -1.835
  219   2HB   LYS  32           HB1      LYS  32   5.879  -5.607  -0.900
  220   1HG   LYS  32           HG2      LYS  32   4.769  -5.647  -3.328
  221   2HG   LYS  32           HG1      LYS  32   6.182  -6.640  -3.688
  222   1HD   LYS  32           HD2      LYS  32   5.367  -7.708  -1.299
  223   2HD   LYS  32           HD1      LYS  32   3.823  -7.259  -2.026
  224   1HE   LYS  32           HE2      LYS  32   4.302  -8.548  -4.011
  225   2HE   LYS  32           HE1      LYS  32   5.957  -8.846  -3.481
  226   1HZ   LYS  32           HZ3      LYS  32   4.448  -9.718  -1.398
  227   2HZ   LYS  32           HZ2      LYS  32   3.532 -10.191  -2.749
  228   3HZ   LYS  32           HZ1      LYS  32   5.145 -10.702  -2.590
  229    H    CYS  33           HN       CYS  33   3.891  -4.078  -2.818
  230    HA   CYS  33           HA       CYS  33   3.109  -2.521  -0.421
  231   1HB   CYS  33           HB2      CYS  33   3.433  -0.784  -2.089
  232   2HB   CYS  33           HB1      CYS  33   2.479  -1.687  -3.267
  233    H    LYS  34           HN       LYS  34   0.997  -2.965   0.252
  234    HA   LYS  34           HA       LYS  34  -0.676  -4.709  -1.474
  235   1HB   LYS  34           HB2      LYS  34   0.526  -5.428   1.177
  236   2HB   LYS  34           HB1      LYS  34  -1.091  -6.021   0.794
  237   1HG   LYS  34           HG2      LYS  34   0.002  -6.718  -1.488
  238   2HG   LYS  34           HG1      LYS  34   1.513  -6.611  -0.583
  239   1HD   LYS  34           HD2      LYS  34   0.803  -8.872  -0.351
  240   2HD   LYS  34           HD1      LYS  34   0.386  -8.095   1.176
  241   1HE   LYS  34           HE2      LYS  34  -1.919  -7.657   0.164
  242   2HE   LYS  34           HE1      LYS  34  -1.457  -8.770  -1.123
  243   1HZ   LYS  34           HZ3      LYS  34  -0.950  -9.734   1.552
  244   2HZ   LYS  34           HZ2      LYS  34  -2.594  -9.511   1.187
  245   3HZ   LYS  34           HZ1      LYS  34  -1.638 -10.531   0.223
  246    H    CYS  35           HN       CYS  35  -2.914  -4.488  -1.023
  247    HA   CYS  35           HA       CYS  35  -3.560  -2.172   0.730
  248   1HB   CYS  35           HB2      CYS  35  -5.212  -3.583  -1.386
  249   2HB   CYS  35           HB1      CYS  35  -5.735  -2.172  -0.466
  250    H    PHE  36           HN       PHE  36  -5.598  -2.354   2.031
  251    HA   PHE  36           HA       PHE  36  -5.977  -5.150   3.029
  252   1HB   PHE  36           HB2      PHE  36  -5.659  -2.541   4.465
  253   2HB   PHE  36           HB1      PHE  36  -6.712  -3.765   5.177
  254    HD1  PHE  36           HD2      PHE  36  -5.415  -6.275   4.448
  255    HD2  PHE  36           HD1      PHE  36  -3.667  -2.562   5.712
  256    HE1  PHE  36           HE2      PHE  36  -3.431  -7.497   5.295
  257    HE2  PHE  36           HE1      PHE  36  -1.683  -3.784   6.559
  258    HZ   PHE  36           HZ       PHE  36  -1.564  -6.252   6.350
  259    H    GLY  37           HN       GLY  37  -7.635  -4.780   1.084
  260   1HA   GLY  37           HA2      GLY  37  -9.899  -3.176   1.237
  261   2HA   GLY  37           HA1      GLY  37  -9.942  -4.822   0.602
  262    H    ARG  38           HN       ARG  38 -10.134  -6.581   2.292
  263    HA   ARG  38           HA       ARG  38 -10.855  -6.177   4.975
  264   1HB   ARG  38           HB2      ARG  38 -13.386  -6.344   4.766
  265   2HB   ARG  38           HB1      ARG  38 -12.697  -4.788   4.304
  266   1HG   ARG  38           HG2      ARG  38 -12.973  -5.206   2.005
  267   2HG   ARG  38           HG1      ARG  38 -13.123  -6.947   2.247
  268   1HD   ARG  38           HD2      ARG  38 -15.357  -6.731   2.356
  269   2HD   ARG  38           HD1      ARG  38 -15.179  -5.692   3.770
  270    HE   ARG  38           HE       ARG  38 -14.660  -4.055   1.548
  271   1HH1  ARG  38          HH21      ARG  38 -17.064  -4.506   3.684
  272   2HH1  ARG  38          HH22      ARG  38 -18.387  -4.210   2.607
  273   1HH2  ARG  38          HH11      ARG  38 -16.433  -4.320  -0.254
  274   2HH2  ARG  38          HH12      ARG  38 -18.031  -4.105   0.380
   
  No H/Q in entry =         274
  Start of MODEL   13
    1   1H    THR   4           HT3      THR   4   4.536  -2.940 -10.474
    2   2H    THR   4           HT2      THR   4   5.045  -4.500 -10.036
    3   3H    THR   4           HT1      THR   4   3.423  -4.219 -10.457
    4    HA   THR   4           HA       THR   4   2.891  -3.694  -8.393
    5    HB   THR   4           HB       THR   4   4.686  -5.454  -8.021
    6    HG1  THR   4           HG1      THR   4   3.306  -4.463  -6.375
    7   1HG2  THR   4          HG22      THR   4   6.326  -2.961  -7.721
    8   2HG2  THR   4          HG21      THR   4   6.725  -4.390  -6.772
    9   3HG2  THR   4          HG23      THR   4   6.730  -4.470  -8.533
   10    H    ILE   5           HN       ILE   5   4.749  -2.446  -6.389
   11    HA   ILE   5           HA       ILE   5   5.197   0.216  -7.637
   12    HB   ILE   5           HB       ILE   5   3.798  -0.034  -4.974
   13   1HG1  ILE   5          HG12      ILE   5   2.438   0.406  -7.648
   14   2HG1  ILE   5          HG11      ILE   5   2.481  -1.158  -6.834
   15   1HG2  ILE   5          HG22      ILE   5   4.607   2.115  -6.839
   16   2HG2  ILE   5          HG21      ILE   5   2.988   2.283  -6.159
   17   3HG2  ILE   5          HG23      ILE   5   4.386   2.164  -5.090
   18   1HD1  ILE   5          HD13      ILE   5   1.670   0.597  -4.832
   19   2HD1  ILE   5          HD12      ILE   5   0.821   1.179  -6.264
   20   3HD1  ILE   5          HD11      ILE   5   0.620  -0.492  -5.738
   21    H    SER   6           HN       SER   6   6.429   1.662  -6.081
   22    HA   SER   6           HA       SER   6   8.170   0.045  -4.264
   23   1HB   SER   6           HB2      SER   6   9.038   1.120  -6.628
   24   2HB   SER   6           HB1      SER   6   9.389   2.432  -5.509
   25    HG   SER   6           HG       SER   6  11.001   0.635  -5.824
   26    H    CYS   7           HN       CYS   7   7.637   0.741  -2.242
   27    HA   CYS   7           HA       CYS   7   7.467   3.694  -1.816
   28   1HB   CYS   7           HB2      CYS   7   5.659   3.276  -0.161
   29   2HB   CYS   7           HB1      CYS   7   5.192   2.781  -1.787
   30    H    THR   8           HN       THR   8   9.199   4.180  -0.543
   31    HA   THR   8           HA       THR   8  10.482   2.229   1.168
   32    HB   THR   8           HB       THR   8  11.734   4.129   0.215
   33    HG1  THR   8           HG1      THR   8  12.609   3.389   2.076
   34   1HG2  THR   8          HG21      THR   8   9.712   5.695   1.799
   35   2HG2  THR   8          HG23      THR   8  11.292   6.387   1.432
   36   3HG2  THR   8          HG22      THR   8  10.210   5.911   0.122
   37    H    ASN   9           HN       ASN   9   7.838   4.418   1.511
   38    HA   ASN   9           HA       ASN   9   7.653   3.701   4.408
   39   1HB   ASN   9           HB2      ASN   9   7.724   6.332   3.148
   40   2HB   ASN   9           HB1      ASN   9   6.254   6.101   4.094
   41   1HD2  ASN   9          HD21      ASN   9   9.828   5.772   4.349
   42   2HD2  ASN   9          HD22      ASN   9   9.886   6.070   6.021
   43    HA   PRO  10           HA       PRO  10   3.526   2.479   3.527
   44   1HB   PRO  10           HB2      PRO  10   2.189   3.361   5.757
   45   2HB   PRO  10           HB1      PRO  10   3.274   1.958   5.756
   46   1HG   PRO  10           HG2      PRO  10   3.727   4.691   6.862
   47   2HG   PRO  10           HG1      PRO  10   4.453   3.149   7.347
   48   1HD   PRO  10           HD2      PRO  10   5.695   5.132   5.754
   49   2HD   PRO  10           HD1      PRO  10   6.257   3.460   5.966
   50    H    LYS  11           HN       LYS  11   3.985   5.858   4.355
   51    HA   LYS  11           HA       LYS  11   1.449   6.944   3.899
   52   1HB   LYS  11           HB2      LYS  11   4.227   7.924   3.694
   53   2HB   LYS  11           HB1      LYS  11   3.052   8.829   2.741
   54   1HG   LYS  11           HG2      LYS  11   2.045   9.694   4.580
   55   2HG   LYS  11           HG1      LYS  11   2.122   8.161   5.451
   56   1HD   LYS  11           HD2      LYS  11   4.486   8.540   5.968
   57   2HD   LYS  11           HD1      LYS  11   4.468  10.040   5.042
   58   1HE   LYS  11           HE2      LYS  11   2.554   9.602   7.333
   59   2HE   LYS  11           HE1      LYS  11   4.184  10.217   7.608
   60   1HZ   LYS  11           HZ1      LYS  11   3.257  11.697   5.519
   61   2HZ   LYS  11           HZ3      LYS  11   1.898  11.549   6.523
   62   3HZ   LYS  11           HZ2      LYS  11   3.341  12.202   7.138
   63    H    GLN  12           HN       GLN  12   3.561   5.452   1.581
   64    HA   GLN  12           HA       GLN  12   2.240   6.733  -0.717
   65   1HB   GLN  12           HB2      GLN  12   4.629   5.153  -0.276
   66   2HB   GLN  12           HB1      GLN  12   3.694   4.505  -1.624
   67   1HG   GLN  12           HG2      GLN  12   3.834   6.492  -2.851
   68   2HG   GLN  12           HG1      GLN  12   4.161   7.467  -1.418
   69   1HE2  GLN  12          HE22      GLN  12   7.663   6.952  -1.536
   70   2HE2  GLN  12          HE21      GLN  12   6.360   7.606  -0.665
   71    H    CYS  13           HN       CYS  13   2.314   3.493   0.777
   72    HA   CYS  13           HA       CYS  13   0.331   2.457  -1.105
   73   1HB   CYS  13           HB2      CYS  13   2.052   1.002  -0.030
   74   2HB   CYS  13           HB1      CYS  13   1.281   1.291   1.530
   75    H    TYR  14           HN       TYR  14   0.181   4.426   1.640
   76    HA   TYR  14           HA       TYR  14  -2.247   3.462   2.818
   77   1HB   TYR  14           HB2      TYR  14  -0.473   5.792   3.089
   78   2HB   TYR  14           HB1      TYR  14  -2.164   6.135   3.431
   79    HD1  TYR  14           HD2      TYR  14  -0.682   2.793   3.880
   80    HD2  TYR  14           HD1      TYR  14  -1.840   6.440   5.835
   81    HE1  TYR  14           HE2      TYR  14  -0.434   1.690   6.087
   82    HE2  TYR  14           HE1      TYR  14  -1.591   5.336   8.040
   83    HH   TYR  14           HH       TYR  14  -1.125   1.912   8.338
   84    HA   PRO  15           HA       PRO  15  -4.326   6.801   0.107
   85   1HB   PRO  15           HB2      PRO  15  -2.723   8.007  -1.789
   86   2HB   PRO  15           HB1      PRO  15  -3.057   8.681  -0.182
   87   1HG   PRO  15           HG2      PRO  15  -0.560   7.454  -1.217
   88   2HG   PRO  15           HG1      PRO  15  -0.796   8.524   0.168
   89   1HD   PRO  15           HD2      PRO  15  -0.412   5.706   0.286
   90   2HD   PRO  15           HD1      PRO  15  -0.865   6.778   1.621
   91    H    HIS  16           HN       HIS  16  -1.710   5.183  -1.732
   92    HA   HIS  16           HA       HIS  16  -3.087   4.784  -4.150
   93   1HB   HIS  16           HB2      HIS  16  -0.690   4.170  -3.755
   94   2HB   HIS  16           HB1      HIS  16  -1.235   2.786  -2.808
   95    HD1  HIS  16           HD1      HIS  16  -2.289   4.178  -6.215
   96    HD2  HIS  16           HD2      HIS  16  -1.147   0.576  -4.451
   97    HE1  HIS  16           HE1      HIS  16  -2.437   2.414  -8.025
   98    H    CYS  17           HN       CYS  17  -3.189   2.871  -1.150
   99    HA   CYS  17           HA       CYS  17  -5.066   0.934  -2.249
  100   1HB   CYS  17           HB2      CYS  17  -4.084   1.554   0.542
  101   2HB   CYS  17           HB1      CYS  17  -5.321   0.334   0.236
  102    H    LYS  18           HN       LYS  18  -5.296   3.971  -0.496
  103    HA   LYS  18           HA       LYS  18  -7.913   3.880   0.491
  104   1HB   LYS  18           HB2      LYS  18  -6.367   5.806   0.782
  105   2HB   LYS  18           HB1      LYS  18  -6.604   6.231  -0.912
  106   1HG   LYS  18           HG2      LYS  18  -9.173   6.132  -0.204
  107   2HG   LYS  18           HG1      LYS  18  -8.497   6.481   1.388
  108   1HD   LYS  18           HD2      LYS  18  -7.201   8.162  -0.544
  109   2HD   LYS  18           HD1      LYS  18  -8.947   8.306  -0.748
  110   1HE   LYS  18           HE2      LYS  18  -8.166   9.940   0.905
  111   2HE   LYS  18           HE1      LYS  18  -9.176   8.727   1.692
  112   1HZ   LYS  18           HZ1      LYS  18  -6.499   7.850   1.654
  113   2HZ   LYS  18           HZ3      LYS  18  -6.557   9.415   2.305
  114   3HZ   LYS  18           HZ2      LYS  18  -7.493   8.175   2.993
  115    H    LYS  19           HN       LYS  19  -6.857   3.877  -2.817
  116    HA   LYS  19           HA       LYS  19  -9.697   4.250  -3.683
  117   1HB   LYS  19           HB2      LYS  19  -7.190   4.665  -5.337
  118   2HB   LYS  19           HB1      LYS  19  -8.845   5.031  -5.824
  119   1HG   LYS  19           HG2      LYS  19  -9.034   6.767  -4.170
  120   2HG   LYS  19           HG1      LYS  19  -7.513   6.292  -3.414
  121   1HD   LYS  19           HD2      LYS  19  -6.516   7.828  -4.734
  122   2HD   LYS  19           HD1      LYS  19  -6.827   6.731  -6.081
  123   1HE   LYS  19           HE2      LYS  19  -8.579   7.976  -6.865
  124   2HE   LYS  19           HE1      LYS  19  -9.108   8.436  -5.246
  125   1HZ   LYS  19           HZ3      LYS  19  -6.588   9.560  -5.699
  126   2HZ   LYS  19           HZ2      LYS  19  -7.559   9.913  -7.048
  127   3HZ   LYS  19           HZ1      LYS  19  -8.069  10.358  -5.490
  128    H    GLU  20           HN       GLU  20  -6.817   2.231  -3.942
  129    HA   GLU  20           HA       GLU  20  -7.671   0.542  -6.057
  130   1HB   GLU  20           HB2      GLU  20  -5.901   0.056  -3.659
  131   2HB   GLU  20           HB1      GLU  20  -6.205  -1.196  -4.864
  132   1HG   GLU  20           HG2      GLU  20  -5.043   1.551  -5.417
  133   2HG   GLU  20           HG1      GLU  20  -4.145   0.033  -5.409
  134    H    THR  21           HN       THR  21  -8.090   0.143  -2.527
  135    HA   THR  21           HA       THR  21 -10.316  -1.761  -3.146
  136    HB   THR  21           HB       THR  21  -8.828  -3.063  -1.910
  137    HG1  THR  21           HG1      THR  21  -9.606  -2.610   0.434
  138   1HG2  THR  21          HG22      THR  21  -8.095  -0.455  -0.612
  139   2HG2  THR  21          HG21      THR  21  -7.720  -1.972   0.205
  140   3HG2  THR  21          HG23      THR  21  -7.049  -1.643  -1.392
  141    H    GLY  22           HN       GLY  22  -9.805   1.355  -2.305
  142   1HA   GLY  22           HA2      GLY  22 -11.449   2.911  -1.595
  143   2HA   GLY  22           HA1      GLY  22 -12.437   1.561  -1.044
  144    H    TYR  23           HN       TYR  23  -9.853   0.522   0.321
  145    HA   TYR  23           HA       TYR  23 -10.151   2.230   2.747
  146   1HB   TYR  23           HB2      TYR  23  -9.196  -0.641   2.530
  147   2HB   TYR  23           HB1      TYR  23  -9.438   0.259   4.026
  148    HD1  TYR  23           HD1      TYR  23 -11.125  -1.289   1.120
  149    HD2  TYR  23           HD2      TYR  23 -11.651   0.660   4.912
  150    HE1  TYR  23           HE1      TYR  23 -13.514  -1.957   1.133
  151    HE2  TYR  23           HE2      TYR  23 -14.039  -0.007   4.924
  152    HH   TYR  23           HH       TYR  23 -15.325  -2.268   2.634
  153    HA   PRO  24           HA       PRO  24  -5.901   3.297   1.934
  154   1HB   PRO  24           HB2      PRO  24  -5.613   4.929   4.128
  155   2HB   PRO  24           HB1      PRO  24  -6.425   5.432   2.635
  156   1HG   PRO  24           HG2      PRO  24  -7.620   4.705   5.270
  157   2HG   PRO  24           HG1      PRO  24  -8.256   5.770   4.005
  158   1HD   PRO  24           HD2      PRO  24  -9.078   3.106   4.494
  159   2HD   PRO  24           HD1      PRO  24  -9.450   4.064   3.045
  160    H    ASN  25           HN       ASN  25  -7.183   1.613   4.630
  161    HA   ASN  25           HA       ASN  25  -4.849   1.316   6.245
  162   1HB   ASN  25           HB2      ASN  25  -7.252   0.694   6.848
  163   2HB   ASN  25           HB1      ASN  25  -7.010  -0.769   5.893
  164   1HD2  ASN  25          HD22      ASN  25  -6.044  -1.876   9.228
  165   2HD2  ASN  25          HD21      ASN  25  -7.442  -1.606   8.304
  166    H    ALA  26           HN       ALA  26  -3.097   0.932   4.757
  167    HA   ALA  26           HA       ALA  26  -3.051  -1.876   3.730
  168   1HB   ALA  26           HB1      ALA  26  -3.306   0.104   1.995
  169   2HB   ALA  26           HB3      ALA  26  -1.576   0.298   2.277
  170   3HB   ALA  26           HB2      ALA  26  -2.203  -1.230   1.660
  171    H    LYS  27           HN       LYS  27  -0.400  -1.896   2.854
  172    HA   LYS  27           HA       LYS  27   1.293  -0.841   5.024
  173   1HB   LYS  27           HB2      LYS  27   0.723  -3.777   4.624
  174   2HB   LYS  27           HB1      LYS  27   2.222  -3.227   5.369
  175   1HG   LYS  27           HG2      LYS  27   0.920  -1.988   7.070
  176   2HG   LYS  27           HG1      LYS  27  -0.576  -2.569   6.337
  177   1HD   LYS  27           HD2      LYS  27  -0.182  -4.077   8.119
  178   2HD   LYS  27           HD1      LYS  27   0.389  -4.938   6.688
  179   1HE   LYS  27           HE2      LYS  27   2.703  -4.123   7.181
  180   2HE   LYS  27           HE1      LYS  27   2.094  -3.408   8.674
  181   1HZ   LYS  27           HZ3      LYS  27   1.147  -5.859   8.926
  182   2HZ   LYS  27           HZ2      LYS  27   2.521  -6.207   7.988
  183   3HZ   LYS  27           HZ1      LYS  27   2.686  -5.415   9.484
  184    H    CYS  28           HN       CYS  28   3.543  -0.923   4.467
  185    HA   CYS  28           HA       CYS  28   4.009  -1.491   1.575
  186   1HB   CYS  28           HB2      CYS  28   5.080   0.525   3.493
  187   2HB   CYS  28           HB1      CYS  28   6.200  -0.093   2.280
  188    H    MET  29           HN       MET  29   4.448  -3.738   1.819
  189    HA   MET  29           HA       MET  29   6.355  -4.715   3.774
  190   1HB   MET  29           HB2      MET  29   4.618  -5.834   1.724
  191   2HB   MET  29           HB1      MET  29   6.205  -6.604   1.721
  192   1HG   MET  29           HG2      MET  29   5.995  -6.915   4.202
  193   2HG   MET  29           HG1      MET  29   4.344  -6.302   4.094
  194   1HE   MET  29           HE2      MET  29   4.338  -8.322   5.467
  195   2HE   MET  29           HE1      MET  29   2.851  -8.900   4.720
  196   3HE   MET  29           HE3      MET  29   4.232  -9.989   4.908
  197    H    ASN  30           HN       ASN  30   8.477  -4.216   3.620
  198    HA   ASN  30           HA       ASN  30  10.513  -3.542   2.614
  199   1HB   ASN  30           HB2      ASN  30  11.485  -5.353   1.328
  200   2HB   ASN  30           HB1      ASN  30  10.501  -6.050   2.616
  201   1HD2  ASN  30          HD22      ASN  30   9.584  -6.862  -1.222
  202   2HD2  ASN  30          HD21      ASN  30  10.983  -6.004  -0.789
  203    H    ARG  31           HN       ARG  31   8.500  -1.995   1.483
  204    HA   ARG  31           HA       ARG  31   8.368  -0.513  -0.351
  205   1HB   ARG  31           HB2      ARG  31  10.857  -1.750  -0.725
  206   2HB   ARG  31           HB1      ARG  31  10.016  -1.940  -2.264
  207   1HG   ARG  31           HG2      ARG  31  10.391   0.222  -2.749
  208   2HG   ARG  31           HG1      ARG  31   9.513   0.705  -1.297
  209   1HD   ARG  31           HD2      ARG  31  11.788   1.598  -1.207
  210   2HD   ARG  31           HD1      ARG  31  11.590   0.361   0.036
  211    HE   ARG  31           HE       ARG  31  12.593  -1.062  -2.098
  212   1HH1  ARG  31          HH11      ARG  31  14.093   0.932  -3.350
  213   2HH1  ARG  31          HH12      ARG  31  15.517   1.141  -2.386
  214   1HH2  ARG  31          HH21      ARG  31  14.172  -0.412   0.409
  215   2HH2  ARG  31          HH22      ARG  31  15.561   0.381  -0.257
  216    H    LYS  32           HN       LYS  32   6.544  -2.663   0.038
  217    HA   LYS  32           HA       LYS  32   5.702  -3.065  -2.788
  218   1HB   LYS  32           HB2      LYS  32   6.614  -5.152  -1.037
  219   2HB   LYS  32           HB1      LYS  32   4.891  -5.372  -1.335
  220   1HG   LYS  32           HG2      LYS  32   5.324  -6.124  -3.410
  221   2HG   LYS  32           HG1      LYS  32   6.178  -4.629  -3.793
  222   1HD   LYS  32           HD2      LYS  32   8.034  -5.919  -3.927
  223   2HD   LYS  32           HD1      LYS  32   7.976  -5.953  -2.164
  224   1HE   LYS  32           HE2      LYS  32   7.914  -8.215  -2.492
  225   2HE   LYS  32           HE1      LYS  32   6.192  -7.912  -2.720
  226   1HZ   LYS  32           HZ3      LYS  32   7.985  -7.633  -5.023
  227   2HZ   LYS  32           HZ2      LYS  32   7.577  -9.198  -4.504
  228   3HZ   LYS  32           HZ1      LYS  32   6.358  -8.110  -4.973
  229    H    CYS  33           HN       CYS  33   3.966  -1.664  -2.647
  230    HA   CYS  33           HA       CYS  33   2.305  -1.284  -0.379
  231   1HB   CYS  33           HB2      CYS  33   2.244   0.310  -2.189
  232   2HB   CYS  33           HB1      CYS  33   1.733  -0.931  -3.333
  233    H    LYS  34           HN       LYS  34   0.673  -2.474   0.469
  234    HA   LYS  34           HA       LYS  34  -0.641  -4.548  -1.207
  235   1HB   LYS  34           HB2      LYS  34   1.257  -5.566   0.155
  236   2HB   LYS  34           HB1      LYS  34   0.345  -5.125   1.599
  237   1HG   LYS  34           HG2      LYS  34  -1.547  -6.371  -0.022
  238   2HG   LYS  34           HG1      LYS  34  -0.089  -7.337  -0.256
  239   1HD   LYS  34           HD2      LYS  34   0.092  -7.146   2.370
  240   2HD   LYS  34           HD1      LYS  34  -1.640  -6.828   2.261
  241   1HE   LYS  34           HE2      LYS  34  -0.593  -9.125   0.681
  242   2HE   LYS  34           HE1      LYS  34  -0.654  -9.323   2.432
  243   1HZ   LYS  34           HZ3      LYS  34  -2.935  -8.437   0.751
  244   2HZ   LYS  34           HZ2      LYS  34  -2.709 -10.024   1.315
  245   3HZ   LYS  34           HZ1      LYS  34  -2.973  -8.756   2.416
  246    H    CYS  35           HN       CYS  35  -2.734  -3.870  -1.123
  247    HA   CYS  35           HA       CYS  35  -3.763  -2.346   1.130
  248   1HB   CYS  35           HB2      CYS  35  -5.383  -3.628  -1.078
  249   2HB   CYS  35           HB1      CYS  35  -5.795  -2.212  -0.111
  250    H    PHE  36           HN       PHE  36  -5.815  -3.052   2.255
  251    HA   PHE  36           HA       PHE  36  -5.814  -6.006   2.732
  252   1HB   PHE  36           HB2      PHE  36  -5.758  -3.715   4.679
  253   2HB   PHE  36           HB1      PHE  36  -6.449  -5.269   5.150
  254    HD1  PHE  36           HD2      PHE  36  -4.756  -7.192   3.726
  255    HD2  PHE  36           HD1      PHE  36  -3.680  -3.571   5.770
  256    HE1  PHE  36           HE2      PHE  36  -2.477  -8.088   4.111
  257    HE2  PHE  36           HE1      PHE  36  -1.402  -4.466   6.153
  258    HZ   PHE  36           HZ       PHE  36  -0.798  -6.724   5.326
  259    H    GLY  37           HN       GLY  37  -7.629  -4.896   0.941
  260   1HA   GLY  37           HA2      GLY  37 -10.131  -5.623   2.159
  261   2HA   GLY  37           HA1      GLY  37 -10.040  -3.879   1.933
  262    H    ARG  38           HN       ARG  38  -8.405  -5.983  -0.327
  263    HA   ARG  38           HA       ARG  38 -10.100  -4.952  -2.468
  264   1HB   ARG  38           HB2      ARG  38  -7.603  -5.218  -2.689
  265   2HB   ARG  38           HB1      ARG  38  -7.849  -6.965  -2.668
  266   1HG   ARG  38           HG2      ARG  38  -9.644  -5.654  -4.551
  267   2HG   ARG  38           HG1      ARG  38  -7.952  -5.314  -4.920
  268   1HD   ARG  38           HD2      ARG  38  -9.166  -8.063  -4.517
  269   2HD   ARG  38           HD1      ARG  38  -8.663  -7.368  -6.058
  270    HE   ARG  38           HE       ARG  38  -6.623  -7.666  -3.916
  271   1HH1  ARG  38          HH11      ARG  38  -8.010  -9.805  -5.987
  272   2HH1  ARG  38          HH12      ARG  38  -6.604 -10.110  -6.951
  273   1HH2  ARG  38          HH21      ARG  38  -4.774  -7.504  -5.578
  274   2HH2  ARG  38          HH22      ARG  38  -4.771  -8.807  -6.718
   
  No H/Q in entry =         274
  Start of MODEL   14
    1   1H    THR   4           HT1      THR   4   6.027  -2.663 -10.579
    2   2H    THR   4           HT3      THR   4   6.297  -3.916  -9.467
    3   3H    THR   4           HT2      THR   4   5.113  -4.092 -10.675
    4    HA   THR   4           HA       THR   4   3.637  -2.668  -9.661
    5    HB   THR   4           HB       THR   4   4.170  -4.791  -8.350
    6    HG1  THR   4           HG1      THR   4   2.371  -3.873  -7.683
    7   1HG2  THR   4          HG21      THR   4   6.404  -3.758  -7.560
    8   2HG2  THR   4          HG23      THR   4   5.427  -2.930  -6.348
    9   3HG2  THR   4          HG22      THR   4   5.466  -4.691  -6.393
   10    H    ILE   5           HN       ILE   5   4.127  -1.725  -6.846
   11    HA   ILE   5           HA       ILE   5   5.592   0.766  -7.594
   12    HB   ILE   5           HB       ILE   5   3.978   0.654  -5.095
   13   1HG1  ILE   5          HG12      ILE   5   2.686   0.815  -7.837
   14   2HG1  ILE   5          HG11      ILE   5   2.586  -0.585  -6.770
   15   1HG2  ILE   5          HG23      ILE   5   5.262   2.641  -6.238
   16   2HG2  ILE   5          HG22      ILE   5   3.836   2.720  -7.271
   17   3HG2  ILE   5          HG21      ILE   5   3.675   2.928  -5.527
   18   1HD1  ILE   5          HD12      ILE   5   1.887   1.945  -5.445
   19   2HD1  ILE   5          HD11      ILE   5   0.806   1.523  -6.774
   20   3HD1  ILE   5          HD13      ILE   5   1.038   0.399  -5.435
   21    H    SER   6           HN       SER   6   6.985   1.729  -5.940
   22    HA   SER   6           HA       SER   6   8.120  -0.323  -4.077
   23   1HB   SER   6           HB2      SER   6  10.021   1.727  -4.507
   24   2HB   SER   6           HB1      SER   6  10.096   0.067  -5.088
   25    HG   SER   6           HG       SER   6   9.870   2.226  -6.527
   26    H    CYS   7           HN       CYS   7   6.395   0.570  -2.601
   27    HA   CYS   7           HA       CYS   7   6.681   3.326  -1.681
   28   1HB   CYS   7           HB2      CYS   7   4.958   2.703  -0.032
   29   2HB   CYS   7           HB1      CYS   7   4.489   2.192  -1.654
   30    H    THR   8           HN       THR   8   7.855   4.037   0.043
   31    HA   THR   8           HA       THR   8   9.346   1.981   1.617
   32    HB   THR   8           HB       THR   8  10.960   3.385   0.632
   33    HG1  THR   8           HG1      THR   8  11.505   3.435   2.716
   34   1HG2  THR   8          HG23      THR   8   8.822   5.436   0.919
   35   2HG2  THR   8          HG22      THR   8  10.491   6.008   0.975
   36   3HG2  THR   8          HG21      THR   8   9.908   5.124  -0.435
   37    H    ASN   9           HN       ASN   9   6.557   3.409   1.872
   38    HA   ASN   9           HA       ASN   9   6.538   3.456   4.769
   39   1HB   ASN   9           HB2      ASN   9   6.666   6.008   3.219
   40   2HB   ASN   9           HB1      ASN   9   5.555   5.941   4.588
   41   1HD2  ASN   9          HD22      ASN   9   8.356   5.199   6.893
   42   2HD2  ASN   9          HD21      ASN   9   6.857   4.504   6.505
   43    HA   PRO  10           HA       PRO  10   2.278   2.749   3.950
   44   1HB   PRO  10           HB2      PRO  10   1.130   3.780   6.221
   45   2HB   PRO  10           HB1      PRO  10   2.034   2.255   6.189
   46   1HG   PRO  10           HG2      PRO  10   2.857   4.905   7.277
   47   2HG   PRO  10           HG1      PRO  10   3.398   3.285   7.744
   48   1HD   PRO  10           HD2      PRO  10   4.823   5.105   6.106
   49   2HD   PRO  10           HD1      PRO  10   5.190   3.379   6.317
   50    H    LYS  11           HN       LYS  11   3.177   6.039   4.841
   51    HA   LYS  11           HA       LYS  11   0.742   7.380   4.323
   52   1HB   LYS  11           HB2      LYS  11   3.549   8.093   4.608
   53   2HB   LYS  11           HB1      LYS  11   2.740   9.105   3.411
   54   1HG   LYS  11           HG2      LYS  11   1.737  10.261   5.056
   55   2HG   LYS  11           HG1      LYS  11   0.968   8.781   5.630
   56   1HD   LYS  11           HD2      LYS  11   3.408   8.355   6.638
   57   2HD   LYS  11           HD1      LYS  11   3.460  10.118   6.587
   58   1HE   LYS  11           HE2      LYS  11   1.980  10.319   8.290
   59   2HE   LYS  11           HE1      LYS  11   0.929   9.065   7.634
   60   1HZ   LYS  11           HZ1      LYS  11   3.320   7.888   8.514
   61   2HZ   LYS  11           HZ3      LYS  11   2.715   8.862   9.763
   62   3HZ   LYS  11           HZ2      LYS  11   1.743   7.640   9.095
   63    H    GLN  12           HN       GLN  12   2.845   5.785   2.105
   64    HA   GLN  12           HA       GLN  12   1.789   7.329  -0.200
   65   1HB   GLN  12           HB2      GLN  12   4.057   5.459   0.259
   66   2HB   GLN  12           HB1      GLN  12   3.326   5.432  -1.346
   67   1HG   GLN  12           HG2      GLN  12   4.611   7.229  -1.815
   68   2HG   GLN  12           HG1      GLN  12   3.524   8.144  -0.771
   69   1HE2  GLN  12          HE22      GLN  12   7.264   7.175   0.561
   70   2HE2  GLN  12          HE21      GLN  12   6.674   6.508  -0.883
   71    H    CYS  13           HN       CYS  13   1.768   4.038   1.132
   72    HA   CYS  13           HA       CYS  13   0.006   3.052  -0.988
   73   1HB   CYS  13           HB2      CYS  13   1.147   1.891   1.549
   74   2HB   CYS  13           HB1      CYS  13  -0.142   1.055   0.683
   75    H    TYR  14           HN       TYR  14  -0.449   4.947   1.748
   76    HA   TYR  14           HA       TYR  14  -2.908   3.878   2.741
   77   1HB   TYR  14           HB2      TYR  14  -1.310   6.331   3.077
   78   2HB   TYR  14           HB1      TYR  14  -3.042   6.560   3.288
   79    HD1  TYR  14           HD2      TYR  14  -1.123   3.454   3.960
   80    HD2  TYR  14           HD1      TYR  14  -3.160   6.827   5.671
   81    HE1  TYR  14           HE2      TYR  14  -0.959   2.414   6.204
   82    HE2  TYR  14           HE1      TYR  14  -2.994   5.786   7.917
   83    HH   TYR  14           HH       TYR  14  -1.342   4.027   9.008
   84    HA   PRO  15           HA       PRO  15  -4.940   6.970  -0.274
   85   1HB   PRO  15           HB2      PRO  15  -3.247   8.245  -2.043
   86   2HB   PRO  15           HB1      PRO  15  -3.793   8.938  -0.504
   87   1HG   PRO  15           HG2      PRO  15  -1.118   7.883  -1.238
   88   2HG   PRO  15           HG1      PRO  15  -1.574   8.969   0.076
   89   1HD   PRO  15           HD2      PRO  15  -0.992   6.194   0.334
   90   2HD   PRO  15           HD1      PRO  15  -1.659   7.267   1.577
   91    H    HIS  16           HN       HIS  16  -2.021   5.522  -1.764
   92    HA   HIS  16           HA       HIS  16  -3.068   4.927  -4.299
   93   1HB   HIS  16           HB2      HIS  16  -0.712   4.494  -3.668
   94   2HB   HIS  16           HB1      HIS  16  -1.240   3.177  -2.618
   95    HD1  HIS  16           HD1      HIS  16  -2.016   4.121  -6.243
   96    HD2  HIS  16           HD2      HIS  16  -0.894   0.811  -3.972
   97    HE1  HIS  16           HE1      HIS  16  -1.871   2.168  -7.849
   98    H    CYS  17           HN       CYS  17  -3.610   3.329  -1.207
   99    HA   CYS  17           HA       CYS  17  -5.225   1.212  -2.501
  100   1HB   CYS  17           HB2      CYS  17  -4.662   1.675   0.441
  101   2HB   CYS  17           HB1      CYS  17  -5.332   0.214  -0.287
  102    H    LYS  18           HN       LYS  18  -5.655   4.260  -0.925
  103    HA   LYS  18           HA       LYS  18  -8.239   3.931   0.189
  104   1HB   LYS  18           HB2      LYS  18  -6.774   5.942   0.494
  105   2HB   LYS  18           HB1      LYS  18  -7.168   6.423  -1.157
  106   1HG   LYS  18           HG2      LYS  18  -9.594   6.399  -0.533
  107   2HG   LYS  18           HG1      LYS  18  -9.123   6.072   1.132
  108   1HD   LYS  18           HD2      LYS  18  -9.556   8.531   0.528
  109   2HD   LYS  18           HD1      LYS  18  -8.043   8.176   1.359
  110   1HE   LYS  18           HE2      LYS  18  -7.730   9.710  -0.586
  111   2HE   LYS  18           HE1      LYS  18  -6.825   8.208  -0.756
  112   1HZ   LYS  18           HZ3      LYS  18  -9.243   7.634  -1.854
  113   2HZ   LYS  18           HZ2      LYS  18  -8.972   9.235  -2.350
  114   3HZ   LYS  18           HZ1      LYS  18  -7.837   8.025  -2.713
  115    H    LYS  19           HN       LYS  19  -7.264   4.674  -3.147
  116    HA   LYS  19           HA       LYS  19 -10.137   4.659  -3.928
  117   1HB   LYS  19           HB2      LYS  19  -9.012   6.574  -4.798
  118   2HB   LYS  19           HB1      LYS  19  -7.624   5.616  -5.310
  119   1HG   LYS  19           HG2      LYS  19  -9.112   6.239  -7.213
  120   2HG   LYS  19           HG1      LYS  19  -8.974   4.494  -7.004
  121   1HD   LYS  19           HD2      LYS  19 -11.214   4.378  -6.845
  122   2HD   LYS  19           HD1      LYS  19 -11.121   5.319  -5.356
  123   1HE   LYS  19           HE2      LYS  19 -12.539   6.612  -6.718
  124   2HE   LYS  19           HE1      LYS  19 -10.967   7.383  -6.925
  125   1HZ   LYS  19           HZ1      LYS  19 -10.676   5.889  -8.904
  126   2HZ   LYS  19           HZ3      LYS  19 -12.319   5.495  -8.762
  127   3HZ   LYS  19           HZ2      LYS  19 -11.855   7.101  -9.069
  128    H    GLU  20           HN       GLU  20  -7.204   2.806  -4.182
  129    HA   GLU  20           HA       GLU  20  -7.811   1.267  -6.493
  130   1HB   GLU  20           HB2      GLU  20  -6.003   1.040  -4.179
  131   2HB   GLU  20           HB1      GLU  20  -6.476  -0.506  -4.883
  132   1HG   GLU  20           HG2      GLU  20  -5.326   1.840  -6.423
  133   2HG   GLU  20           HG1      GLU  20  -4.440   0.383  -5.968
  134    H    THR  21           HN       THR  21  -8.491   0.565  -3.046
  135    HA   THR  21           HA       THR  21 -10.634  -1.293  -4.011
  136    HB   THR  21           HB       THR  21  -8.934  -2.655  -2.999
  137    HG1  THR  21           HG1      THR  21 -10.328  -3.630  -1.784
  138   1HG2  THR  21          HG21      THR  21  -8.972  -0.585  -0.791
  139   2HG2  THR  21          HG23      THR  21  -8.152  -2.141  -0.654
  140   3HG2  THR  21          HG22      THR  21  -7.630  -0.971  -1.868
  141    H    GLY  22           HN       GLY  22  -9.646   1.089  -1.600
  142   1HA   GLY  22           HA2      GLY  22 -11.681   2.649  -1.157
  143   2HA   GLY  22           HA1      GLY  22 -12.418   1.161  -0.570
  144    H    TYR  23           HN       TYR  23 -10.152   0.021   0.691
  145    HA   TYR  23           HA       TYR  23 -10.102   1.663   3.129
  146   1HB   TYR  23           HB2      TYR  23  -8.902  -1.053   2.512
  147   2HB   TYR  23           HB1      TYR  23  -8.893  -0.289   4.099
  148    HD1  TYR  23           HD2      TYR  23 -11.855   0.777   2.615
  149    HD2  TYR  23           HD1      TYR  23 -10.080  -2.746   4.322
  150    HE1  TYR  23           HE2      TYR  23 -14.112  -0.143   3.070
  151    HE2  TYR  23           HE1      TYR  23 -12.338  -3.662   4.776
  152    HH   TYR  23           HH       TYR  23 -14.522  -3.267   4.736
  153    HA   PRO  24           HA       PRO  24  -6.159   3.375   1.963
  154   1HB   PRO  24           HB2      PRO  24  -5.820   4.853   4.254
  155   2HB   PRO  24           HB1      PRO  24  -6.881   5.347   2.923
  156   1HG   PRO  24           HG2      PRO  24  -7.612   4.247   5.596
  157   2HG   PRO  24           HG1      PRO  24  -8.549   5.297   4.521
  158   1HD   PRO  24           HD2      PRO  24  -8.909   2.505   4.850
  159   2HD   PRO  24           HD1      PRO  24  -9.613   3.509   3.563
  160    H    ASN  25           HN       ASN  25  -6.755   1.912   5.146
  161    HA   ASN  25           HA       ASN  25  -4.200   1.647   6.184
  162   1HB   ASN  25           HB2      ASN  25  -6.639   0.543   6.774
  163   2HB   ASN  25           HB1      ASN  25  -5.731  -0.876   6.252
  164   1HD2  ASN  25          HD22      ASN  25  -4.871  -0.728   9.783
  165   2HD2  ASN  25          HD21      ASN  25  -6.109  -1.280   8.762
  166    H    ALA  26           HN       ALA  26  -2.359   0.973   5.216
  167    HA   ALA  26           HA       ALA  26  -2.365  -1.549   3.685
  168   1HB   ALA  26           HB1      ALA  26  -1.761   1.151   2.491
  169   2HB   ALA  26           HB3      ALA  26  -0.969  -0.297   1.868
  170   3HB   ALA  26           HB2      ALA  26  -2.727  -0.163   1.819
  171    H    LYS  27           HN       LYS  27  -0.205  -2.440   3.505
  172    HA   LYS  27           HA       LYS  27   1.842  -0.998   5.143
  173   1HB   LYS  27           HB2      LYS  27   1.534  -4.003   5.085
  174   2HB   LYS  27           HB1      LYS  27   2.461  -3.026   6.224
  175   1HG   LYS  27           HG2      LYS  27   0.072  -1.940   6.686
  176   2HG   LYS  27           HG1      LYS  27  -0.488  -3.505   6.096
  177   1HD   LYS  27           HD2      LYS  27   1.289  -2.935   8.474
  178   2HD   LYS  27           HD1      LYS  27  -0.252  -3.790   8.446
  179   1HE   LYS  27           HE2      LYS  27   1.410  -5.180   6.647
  180   2HE   LYS  27           HE1      LYS  27   2.419  -4.839   8.052
  181   1HZ   LYS  27           HZ1      LYS  27   0.365  -5.640   9.360
  182   2HZ   LYS  27           HZ3      LYS  27  -0.091  -6.373   7.899
  183   3HZ   LYS  27           HZ2      LYS  27   1.381  -6.792   8.637
  184    H    CYS  28           HN       CYS  28   4.044  -1.402   4.500
  185    HA   CYS  28           HA       CYS  28   4.263  -2.299   1.667
  186   1HB   CYS  28           HB2      CYS  28   6.058  -0.586   3.406
  187   2HB   CYS  28           HB1      CYS  28   6.508  -1.132   1.791
  188    H    MET  29           HN       MET  29   6.722  -3.175   1.340
  189    HA   MET  29           HA       MET  29   7.881  -4.713   3.458
  190   1HB   MET  29           HB2      MET  29   5.580  -5.894   2.127
  191   2HB   MET  29           HB1      MET  29   7.022  -6.885   1.909
  192   1HG   MET  29           HG2      MET  29   7.169  -6.126   4.575
  193   2HG   MET  29           HG1      MET  29   5.445  -6.408   4.328
  194   1HE   MET  29           HE2      MET  29   5.012  -8.359   5.678
  195   2HE   MET  29           HE1      MET  29   6.049  -9.774   5.852
  196   3HE   MET  29           HE3      MET  29   6.617  -8.184   6.383
  197    H    ASN  30           HN       ASN  30   9.952  -4.683   2.759
  198    HA   ASN  30           HA       ASN  30  11.755  -4.509   1.234
  199   1HB   ASN  30           HB2      ASN  30  11.585  -6.637  -0.373
  200   2HB   ASN  30           HB1      ASN  30  11.952  -6.804   1.343
  201   1HD2  ASN  30          HD22      ASN  30   8.939  -8.489   2.087
  202   2HD2  ASN  30          HD21      ASN  30  10.404  -7.866   2.676
  203    H    ARG  31           HN       ARG  31  10.211  -2.594   0.343
  204    HA   ARG  31           HA       ARG  31   9.635  -1.380  -1.582
  205   1HB   ARG  31           HB2      ARG  31  11.563  -3.421  -2.496
  206   2HB   ARG  31           HB1      ARG  31  10.511  -2.789  -3.762
  207   1HG   ARG  31           HG2      ARG  31  12.531  -1.414  -3.598
  208   2HG   ARG  31           HG1      ARG  31  11.127  -0.478  -3.090
  209   1HD   ARG  31           HD2      ARG  31  13.025  -0.171  -1.531
  210   2HD   ARG  31           HD1      ARG  31  11.654  -0.943  -0.732
  211    HE   ARG  31           HE       ARG  31  13.336  -2.997  -1.735
  212   1HH1  ARG  31          HH11      ARG  31  13.119  -0.549   0.682
  213   2HH1  ARG  31          HH12      ARG  31  14.305  -1.276   1.713
  214   1HH2  ARG  31          HH21      ARG  31  14.970  -3.899  -0.457
  215   2HH2  ARG  31          HH22      ARG  31  15.357  -3.171   1.066
  216    H    LYS  32           HN       LYS  32   7.758  -3.267  -0.494
  217    HA   LYS  32           HA       LYS  32   6.258  -3.927  -2.991
  218   1HB   LYS  32           HB2      LYS  32   7.322  -5.942  -1.749
  219   2HB   LYS  32           HB1      LYS  32   6.092  -5.648  -0.519
  220   1HG   LYS  32           HG2      LYS  32   4.319  -5.883  -2.186
  221   2HG   LYS  32           HG1      LYS  32   5.518  -6.085  -3.465
  222   1HD   LYS  32           HD2      LYS  32   6.216  -8.187  -2.641
  223   2HD   LYS  32           HD1      LYS  32   5.467  -7.915  -1.067
  224   1HE   LYS  32           HE2      LYS  32   3.827  -8.040  -3.598
  225   2HE   LYS  32           HE1      LYS  32   4.231  -9.493  -2.683
  226   1HZ   LYS  32           HZ3      LYS  32   3.330  -8.185  -0.694
  227   2HZ   LYS  32           HZ2      LYS  32   2.603  -7.177  -1.852
  228   3HZ   LYS  32           HZ1      LYS  32   2.213  -8.829  -1.795
  229    H    CYS  33           HN       CYS  33   3.913  -3.850  -2.712
  230    HA   CYS  33           HA       CYS  33   3.064  -2.426  -0.225
  231   1HB   CYS  33           HB2      CYS  33   3.284  -0.835  -2.131
  232   2HB   CYS  33           HB1      CYS  33   2.124  -1.802  -3.040
  233    H    LYS  34           HN       LYS  34   1.204  -3.191   0.672
  234    HA   LYS  34           HA       LYS  34  -0.507  -5.019  -0.949
  235   1HB   LYS  34           HB2      LYS  34   1.207  -6.029   0.884
  236   2HB   LYS  34           HB1      LYS  34  -0.160  -5.662   1.936
  237   1HG   LYS  34           HG2      LYS  34  -1.613  -6.860   0.183
  238   2HG   LYS  34           HG1      LYS  34  -0.097  -7.480  -0.473
  239   1HD   LYS  34           HD2      LYS  34   0.014  -7.836   2.343
  240   2HD   LYS  34           HD1      LYS  34  -1.565  -8.415   1.811
  241   1HE   LYS  34           HE2      LYS  34  -0.596 -10.284   1.020
  242   2HE   LYS  34           HE1      LYS  34   0.345  -9.303  -0.102
  243   1HZ   LYS  34           HZ3      LYS  34   1.709  -8.889   2.124
  244   2HZ   LYS  34           HZ2      LYS  34   1.110 -10.443   2.464
  245   3HZ   LYS  34           HZ1      LYS  34   2.045 -10.176   1.071
  246    H    CYS  35           HN       CYS  35  -2.397  -3.900  -1.043
  247    HA   CYS  35           HA       CYS  35  -3.173  -2.031   1.049
  248   1HB   CYS  35           HB2      CYS  35  -4.786  -3.069  -1.297
  249   2HB   CYS  35           HB1      CYS  35  -5.146  -1.639  -0.331
  250    H    PHE  36           HN       PHE  36  -5.257  -2.173   2.181
  251    HA   PHE  36           HA       PHE  36  -5.817  -4.968   3.035
  252   1HB   PHE  36           HB2      PHE  36  -6.047  -2.277   4.309
  253   2HB   PHE  36           HB1      PHE  36  -7.215  -3.506   4.794
  254    HD1  PHE  36           HD1      PHE  36  -6.150  -5.910   5.251
  255    HD2  PHE  36           HD2      PHE  36  -4.015  -2.190   5.442
  256    HE1  PHE  36           HE1      PHE  36  -4.435  -6.969   6.696
  257    HE2  PHE  36           HE2      PHE  36  -2.300  -3.246   6.887
  258    HZ   PHE  36           HZ       PHE  36  -2.510  -5.635   7.514
  259    H    GLY  37           HN       GLY  37  -6.878  -4.621   0.619
  260   1HA   GLY  37           HA2      GLY  37  -9.553  -3.465   0.750
  261   2HA   GLY  37           HA1      GLY  37  -8.850  -4.277  -0.643
  262    H    ARG  38           HN       ARG  38  -9.288  -5.465   2.696
  263    HA   ARG  38           HA       ARG  38 -10.067  -8.070   1.928
  264   1HB   ARG  38           HB2      ARG  38  -9.907  -6.540   4.373
  265   2HB   ARG  38           HB1      ARG  38 -11.393  -7.491   4.358
  266   1HG   ARG  38           HG2      ARG  38  -9.637  -9.330   3.402
  267   2HG   ARG  38           HG1      ARG  38  -8.571  -8.395   4.453
  268   1HD   ARG  38           HD2      ARG  38  -9.563  -9.171   6.335
  269   2HD   ARG  38           HD1      ARG  38 -11.183  -8.974   5.663
  270    HE   ARG  38           HE       ARG  38  -9.495 -11.300   4.854
  271   1HH1  ARG  38          HH21      ARG  38 -12.429 -10.624   4.044
  272   2HH1  ARG  38          HH22      ARG  38 -13.280 -11.779   5.015
  273   1HH2  ARG  38          HH11      ARG  38 -10.550 -12.493   7.031
  274   2HH2  ARG  38          HH12      ARG  38 -12.216 -12.837   6.706
   
  No H/Q in entry =         274
  Start of MODEL   15
    1   1H    THR   4           HT3      THR   4   2.454  -2.276 -10.251
    2   2H    THR   4           HT2      THR   4   1.849  -3.766  -9.704
    3   3H    THR   4           HT1      THR   4   1.191  -2.312  -9.122
    4    HA   THR   4           HA       THR   4   2.556  -3.014  -7.393
    5    HB   THR   4           HB       THR   4   5.085  -3.471  -8.238
    6    HG1  THR   4           HG1      THR   4   4.890  -4.730 -10.147
    7   1HG2  THR   4          HG23      THR   4   2.811  -5.474  -8.209
    8   2HG2  THR   4          HG22      THR   4   4.523  -5.879  -8.097
    9   3HG2  THR   4          HG21      THR   4   3.751  -4.952  -6.811
   10    H    ILE   5           HN       ILE   5   3.776  -1.495  -6.236
   11    HA   ILE   5           HA       ILE   5   5.008   0.717  -7.811
   12    HB   ILE   5           HB       ILE   5   3.560   1.396  -5.286
   13   1HG1  ILE   5          HG12      ILE   5   2.254   0.779  -7.950
   14   2HG1  ILE   5          HG11      ILE   5   1.830   0.133  -6.365
   15   1HG2  ILE   5          HG23      ILE   5   5.004   2.912  -6.862
   16   2HG2  ILE   5          HG22      ILE   5   3.566   2.912  -7.882
   17   3HG2  ILE   5          HG21      ILE   5   3.478   3.533  -6.234
   18   1HD1  ILE   5          HD12      ILE   5   1.304   2.532  -5.671
   19   2HD1  ILE   5          HD11      ILE   5   1.435   2.956  -7.378
   20   3HD1  ILE   5          HD13      ILE   5   0.199   1.817  -6.845
   21    H    SER   6           HN       SER   6   6.594   1.954  -6.528
   22    HA   SER   6           HA       SER   6   7.965   0.185  -4.581
   23   1HB   SER   6           HB2      SER   6   8.881   2.772  -5.879
   24   2HB   SER   6           HB1      SER   6   9.873   1.721  -4.872
   25    HG   SER   6           HG       SER   6   9.029   0.076  -6.561
   26    H    CYS   7           HN       CYS   7   7.002   0.483  -2.576
   27    HA   CYS   7           HA       CYS   7   6.742   3.316  -1.653
   28   1HB   CYS   7           HB2      CYS   7   4.892   2.676  -0.291
   29   2HB   CYS   7           HB1      CYS   7   4.606   1.938  -1.865
   30    H    THR   8           HN       THR   8   7.931   3.892   0.089
   31    HA   THR   8           HA       THR   8   9.317   1.717   1.598
   32    HB   THR   8           HB       THR   8  10.839   3.259   0.412
   33    HG1  THR   8           HG1      THR   8  11.915   4.047   2.372
   34   1HG2  THR   8          HG22      THR   8   9.239   5.192   0.432
   35   2HG2  THR   8          HG21      THR   8   9.613   5.422   2.141
   36   3HG2  THR   8          HG23      THR   8  10.875   5.625   0.925
   37    H    ASN   9           HN       ASN   9   6.593   3.130   1.912
   38    HA   ASN   9           HA       ASN   9   6.538   3.151   4.789
   39   1HB   ASN   9           HB2      ASN   9   7.378   5.584   3.576
   40   2HB   ASN   9           HB1      ASN   9   5.722   5.838   4.127
   41   1HD2  ASN   9          HD22      ASN   9   8.158   4.499   7.143
   42   2HD2  ASN   9          HD21      ASN   9   8.068   3.629   5.690
   43    HA   PRO  10           HA       PRO  10   2.252   2.802   3.905
   44   1HB   PRO  10           HB2      PRO  10   1.100   4.014   6.083
   45   2HB   PRO  10           HB1      PRO  10   1.890   2.428   6.148
   46   1HG   PRO  10           HG2      PRO  10   2.860   5.053   7.170
   47   2HG   PRO  10           HG1      PRO  10   3.283   3.419   7.702
   48   1HD   PRO  10           HD2      PRO  10   4.850   5.098   6.039
   49   2HD   PRO  10           HD1      PRO  10   5.131   3.370   6.346
   50    H    LYS  11           HN       LYS  11   3.335   6.071   4.680
   51    HA   LYS  11           HA       LYS  11   1.056   7.577   4.042
   52   1HB   LYS  11           HB2      LYS  11   3.970   8.179   3.465
   53   2HB   LYS  11           HB1      LYS  11   2.672   9.367   3.338
   54   1HG   LYS  11           HG2      LYS  11   2.552   9.637   5.583
   55   2HG   LYS  11           HG1      LYS  11   2.636   7.899   5.877
   56   1HD   LYS  11           HD2      LYS  11   4.982   7.882   5.885
   57   2HD   LYS  11           HD1      LYS  11   5.090   9.398   4.990
   58   1HE   LYS  11           HE2      LYS  11   3.678  10.071   7.304
   59   2HE   LYS  11           HE1      LYS  11   4.931   8.966   7.867
   60   1HZ   LYS  11           HZ3      LYS  11   6.409  10.415   6.296
   61   2HZ   LYS  11           HZ2      LYS  11   5.201  11.578   6.566
   62   3HZ   LYS  11           HZ1      LYS  11   6.065  10.928   7.875
   63    H    GLN  12           HN       GLN  12   3.143   5.764   1.902
   64    HA   GLN  12           HA       GLN  12   2.103   7.103  -0.506
   65   1HB   GLN  12           HB2      GLN  12   4.257   5.218   0.134
   66   2HB   GLN  12           HB1      GLN  12   3.407   4.818  -1.358
   67   1HG   GLN  12           HG2      GLN  12   3.893   7.679  -1.152
   68   2HG   GLN  12           HG1      GLN  12   5.397   6.762  -1.056
   69   1HE2  GLN  12          HE22      GLN  12   4.927   5.303  -4.358
   70   2HE2  GLN  12          HE21      GLN  12   5.457   4.867  -2.806
   71    H    CYS  13           HN       CYS  13   1.873   3.858   0.981
   72    HA   CYS  13           HA       CYS  13  -0.086   2.966  -0.989
   73   1HB   CYS  13           HB2      CYS  13   0.386   1.691   1.708
   74   2HB   CYS  13           HB1      CYS  13  -0.108   0.919   0.201
   75    H    TYR  14           HN       TYR  14  -0.305   5.119   1.544
   76    HA   TYR  14           HA       TYR  14  -2.781   4.321   2.745
   77   1HB   TYR  14           HB2      TYR  14  -1.009   6.664   2.788
   78   2HB   TYR  14           HB1      TYR  14  -2.710   7.054   3.006
   79    HD1  TYR  14           HD1      TYR  14  -1.439   3.756   3.963
   80    HD2  TYR  14           HD2      TYR  14  -2.331   7.719   5.356
   81    HE1  TYR  14           HE1      TYR  14  -1.306   2.962   6.309
   82    HE2  TYR  14           HE2      TYR  14  -2.199   6.925   7.701
   83    HH   TYR  14           HH       TYR  14  -2.356   4.893   8.966
   84    HA   PRO  15           HA       PRO  15  -4.817   7.222  -0.442
   85   1HB   PRO  15           HB2      PRO  15  -3.150   8.385  -2.303
   86   2HB   PRO  15           HB1      PRO  15  -3.655   9.172  -0.796
   87   1HG   PRO  15           HG2      PRO  15  -1.009   8.041  -1.531
   88   2HG   PRO  15           HG1      PRO  15  -1.418   9.218  -0.280
   89   1HD   PRO  15           HD2      PRO  15  -0.850   6.468   0.160
   90   2HD   PRO  15           HD1      PRO  15  -1.506   7.628   1.330
   91    H    HIS  16           HN       HIS  16  -1.936   5.646  -1.764
   92    HA   HIS  16           HA       HIS  16  -2.880   4.914  -4.304
   93   1HB   HIS  16           HB2      HIS  16  -0.689   4.285  -4.148
   94   2HB   HIS  16           HB1      HIS  16  -0.802   3.986  -2.418
   95    HD1  HIS  16           HD1      HIS  16  -1.314   1.586  -1.652
   96    HD2  HIS  16           HD2      HIS  16  -1.356   2.027  -5.791
   97    HE1  HIS  16           HE1      HIS  16  -1.389  -0.754  -2.620
   98    H    CYS  17           HN       CYS  17  -3.156   3.136  -1.228
   99    HA   CYS  17           HA       CYS  17  -4.784   1.025  -2.340
  100   1HB   CYS  17           HB2      CYS  17  -4.098   1.941   0.439
  101   2HB   CYS  17           HB1      CYS  17  -5.373   0.746   0.203
  102    H    LYS  18           HN       LYS  18  -5.510   4.110  -0.757
  103    HA   LYS  18           HA       LYS  18  -8.239   3.816  -0.227
  104   1HB   LYS  18           HB2      LYS  18  -6.973   5.867   0.303
  105   2HB   LYS  18           HB1      LYS  18  -6.865   6.247  -1.417
  106   1HG   LYS  18           HG2      LYS  18  -9.293   6.430  -1.571
  107   2HG   LYS  18           HG1      LYS  18  -9.464   5.933   0.113
  108   1HD   LYS  18           HD2      LYS  18  -9.434   8.154   0.574
  109   2HD   LYS  18           HD1      LYS  18  -7.694   8.034   0.310
  110   1HE   LYS  18           HE2      LYS  18  -8.474   9.833  -1.075
  111   2HE   LYS  18           HE1      LYS  18  -8.148   8.472  -2.150
  112   1HZ   LYS  18           HZ1      LYS  18 -10.834   8.752  -1.012
  113   2HZ   LYS  18           HZ3      LYS  18 -10.389   9.777  -2.288
  114   3HZ   LYS  18           HZ2      LYS  18 -10.354   8.093  -2.502
  115    H    LYS  19           HN       LYS  19  -6.634   3.983  -3.319
  116    HA   LYS  19           HA       LYS  19  -9.276   4.196  -4.688
  117   1HB   LYS  19           HB2      LYS  19  -7.174   5.674  -5.252
  118   2HB   LYS  19           HB1      LYS  19  -6.639   4.240  -6.128
  119   1HG   LYS  19           HG2      LYS  19  -9.440   5.228  -6.538
  120   2HG   LYS  19           HG1      LYS  19  -8.113   6.060  -7.349
  121   1HD   LYS  19           HD2      LYS  19  -7.644   3.283  -7.674
  122   2HD   LYS  19           HD1      LYS  19  -9.349   3.556  -8.042
  123   1HE   LYS  19           HE2      LYS  19  -8.585   4.166 -10.095
  124   2HE   LYS  19           HE1      LYS  19  -8.175   5.688  -9.303
  125   1HZ   LYS  19           HZ3      LYS  19  -6.073   4.123  -8.685
  126   2HZ   LYS  19           HZ2      LYS  19  -6.450   3.582 -10.251
  127   3HZ   LYS  19           HZ1      LYS  19  -6.111   5.224  -9.974
  128    H    GLU  20           HN       GLU  20  -6.555   2.063  -4.132
  129    HA   GLU  20           HA       GLU  20  -7.076   0.207  -6.245
  130   1HB   GLU  20           HB2      GLU  20  -5.737  -0.116  -3.549
  131   2HB   GLU  20           HB1      GLU  20  -5.808  -1.406  -4.751
  132   1HG   GLU  20           HG2      GLU  20  -4.685   1.349  -5.322
  133   2HG   GLU  20           HG1      GLU  20  -3.693  -0.026  -4.836
  134    H    THR  21           HN       THR  21  -7.893  -0.016  -2.764
  135    HA   THR  21           HA       THR  21 -10.260  -1.657  -3.574
  136    HB   THR  21           HB       THR  21  -8.645  -3.141  -2.531
  137    HG1  THR  21           HG1      THR  21  -9.928  -3.297  -0.368
  138   1HG2  THR  21          HG23      THR  21  -8.412  -0.860  -0.614
  139   2HG2  THR  21          HG22      THR  21  -8.169  -2.493   0.005
  140   3HG2  THR  21          HG21      THR  21  -7.149  -1.882  -1.298
  141    H    GLY  22           HN       GLY  22  -9.178   1.149  -2.068
  142   1HA   GLY  22           HA2      GLY  22 -10.758   2.821  -1.310
  143   2HA   GLY  22           HA1      GLY  22 -11.833   1.515  -0.823
  144    H    TYR  23           HN       TYR  23  -9.684  -0.022   0.478
  145    HA   TYR  23           HA       TYR  23  -9.813   1.261   3.079
  146   1HB   TYR  23           HB2      TYR  23  -8.270  -1.171   2.128
  147   2HB   TYR  23           HB1      TYR  23  -8.421  -0.675   3.813
  148    HD1  TYR  23           HD1      TYR  23 -11.048  -0.028   4.395
  149    HD2  TYR  23           HD2      TYR  23  -9.685  -2.901   1.507
  150    HE1  TYR  23           HE1      TYR  23 -13.220  -1.216   4.552
  151    HE2  TYR  23           HE2      TYR  23 -11.857  -4.089   1.663
  152    HH   TYR  23           HH       TYR  23 -14.480  -3.009   2.552
  153    HA   PRO  24           HA       PRO  24  -6.063   3.579   2.356
  154   1HB   PRO  24           HB2      PRO  24  -6.106   4.884   4.775
  155   2HB   PRO  24           HB1      PRO  24  -7.096   5.367   3.385
  156   1HG   PRO  24           HG2      PRO  24  -7.926   3.963   5.881
  157   2HG   PRO  24           HG1      PRO  24  -8.880   4.997   4.805
  158   1HD   PRO  24           HD2      PRO  24  -8.953   2.169   4.874
  159   2HD   PRO  24           HD1      PRO  24  -9.629   3.199   3.594
  160    H    ASN  25           HN       ASN  25  -6.750   1.747   5.315
  161    HA   ASN  25           HA       ASN  25  -4.133   1.701   6.409
  162   1HB   ASN  25           HB2      ASN  25  -5.956  -0.693   6.537
  163   2HB   ASN  25           HB1      ASN  25  -4.891  -0.047   7.786
  164   1HD2  ASN  25          HD22      ASN  25  -8.628   1.001   8.100
  165   2HD2  ASN  25          HD21      ASN  25  -8.005  -0.474   7.533
  166    H    ALA  26           HN       ALA  26  -2.357   1.095   5.249
  167    HA   ALA  26           HA       ALA  26  -2.463  -1.526   3.842
  168   1HB   ALA  26           HB3      ALA  26  -2.700   0.704   2.365
  169   2HB   ALA  26           HB2      ALA  26  -0.944   0.665   2.510
  170   3HB   ALA  26           HB1      ALA  26  -1.800  -0.702   1.797
  171    H    LYS  27           HN       LYS  27  -0.029  -1.996   3.087
  172    HA   LYS  27           HA       LYS  27   1.893  -0.945   5.094
  173   1HB   LYS  27           HB2      LYS  27   1.103  -3.840   4.738
  174   2HB   LYS  27           HB1      LYS  27   2.656  -3.380   5.436
  175   1HG   LYS  27           HG2      LYS  27   0.941  -1.768   6.836
  176   2HG   LYS  27           HG1      LYS  27  -0.052  -3.206   6.596
  177   1HD   LYS  27           HD2      LYS  27   1.209  -3.459   8.663
  178   2HD   LYS  27           HD1      LYS  27   1.835  -4.597   7.471
  179   1HE   LYS  27           HE2      LYS  27   3.696  -3.117   6.960
  180   2HE   LYS  27           HE1      LYS  27   3.035  -1.868   8.014
  181   1HZ   LYS  27           HZ2      LYS  27   3.325  -4.394   9.331
  182   2HZ   LYS  27           HZ1      LYS  27   4.804  -3.797   8.746
  183   3HZ   LYS  27           HZ3      LYS  27   3.872  -2.856   9.805
  184    H    CYS  28           HN       CYS  28   4.169  -1.713   4.528
  185    HA   CYS  28           HA       CYS  28   4.409  -1.961   1.557
  186   1HB   CYS  28           HB2      CYS  28   6.040  -0.469   3.602
  187   2HB   CYS  28           HB1      CYS  28   6.756  -0.945   2.062
  188    H    MET  29           HN       MET  29   4.406  -4.299   1.707
  189    HA   MET  29           HA       MET  29   6.380  -5.664   3.355
  190   1HB   MET  29           HB2      MET  29   4.100  -6.396   1.799
  191   2HB   MET  29           HB1      MET  29   5.479  -7.327   1.209
  192   1HG   MET  29           HG2      MET  29   5.737  -7.348   4.001
  193   2HG   MET  29           HG1      MET  29   4.018  -7.605   3.702
  194   1HE   MET  29           HE2      MET  29   3.938  -9.764   4.687
  195   2HE   MET  29           HE1      MET  29   3.046  -9.920   3.176
  196   3HE   MET  29           HE3      MET  29   4.122 -11.219   3.711
  197    H    ASN  30           HN       ASN  30   8.489  -5.893   2.843
  198    HA   ASN  30           HA       ASN  30  10.469  -5.609   1.589
  199   1HB   ASN  30           HB2      ASN  30  10.391  -7.112  -0.507
  200   2HB   ASN  30           HB1      ASN  30  10.103  -7.886   1.051
  201   1HD2  ASN  30          HD22      ASN  30   7.083  -7.663  -1.684
  202   2HD2  ASN  30          HD21      ASN  30   8.550  -6.855  -1.959
  203    H    ARG  31           HN       ARG  31   9.080  -3.313   1.259
  204    HA   ARG  31           HA       ARG  31   8.903  -1.473  -0.187
  205   1HB   ARG  31           HB2      ARG  31  11.151  -2.823  -0.997
  206   2HB   ARG  31           HB1      ARG  31  10.198  -2.797  -2.481
  207   1HG   ARG  31           HG2      ARG  31  10.370  -0.269  -0.900
  208   2HG   ARG  31           HG1      ARG  31  11.794  -0.761  -1.819
  209   1HD   ARG  31           HD2      ARG  31   8.995  -0.346  -2.908
  210   2HD   ARG  31           HD1      ARG  31  10.412   0.656  -3.232
  211    HE   ARG  31           HE       ARG  31   9.754  -1.764  -4.616
  212   1HH1  ARG  31          HH11      ARG  31  12.260  -2.386  -2.927
  213   2HH1  ARG  31          HH12      ARG  31  13.508  -2.039  -4.077
  214   1HH2  ARG  31          HH21      ARG  31  11.413  -0.298  -6.223
  215   2HH2  ARG  31          HH22      ARG  31  13.028  -0.856  -5.942
  216    H    LYS  32           HN       LYS  32   6.699  -3.185  -0.111
  217    HA   LYS  32           HA       LYS  32   5.654  -2.798  -2.856
  218   1HB   LYS  32           HB2      LYS  32   6.523  -5.301  -2.072
  219   2HB   LYS  32           HB1      LYS  32   4.799  -5.358  -1.701
  220   1HG   LYS  32           HG2      LYS  32   4.175  -4.958  -3.928
  221   2HG   LYS  32           HG1      LYS  32   5.746  -4.270  -4.343
  222   1HD   LYS  32           HD2      LYS  32   6.617  -6.684  -3.701
  223   2HD   LYS  32           HD1      LYS  32   4.952  -7.145  -4.060
  224   1HE   LYS  32           HE2      LYS  32   5.504  -5.529  -6.189
  225   2HE   LYS  32           HE1      LYS  32   7.092  -6.238  -5.888
  226   1HZ   LYS  32           HZ2      LYS  32   4.786  -8.029  -5.845
  227   2HZ   LYS  32           HZ1      LYS  32   5.281  -7.440  -7.359
  228   3HZ   LYS  32           HZ3      LYS  32   6.370  -8.310  -6.392
  229    H    CYS  33           HN       CYS  33   3.878  -1.559  -2.501
  230    HA   CYS  33           HA       CYS  33   2.559  -1.123  -0.079
  231   1HB   CYS  33           HB2      CYS  33   1.624  -0.978  -2.938
  232   2HB   CYS  33           HB1      CYS  33   0.510  -0.638  -1.616
  233    H    LYS  34           HN       LYS  34   0.525  -1.953   0.770
  234    HA   LYS  34           HA       LYS  34  -0.457  -4.509  -0.337
  235   1HB   LYS  34           HB2      LYS  34   1.518  -4.764   1.444
  236   2HB   LYS  34           HB1      LYS  34   0.192  -4.527   2.582
  237   1HG   LYS  34           HG2      LYS  34  -0.350  -6.424   0.371
  238   2HG   LYS  34           HG1      LYS  34   0.855  -6.949   1.547
  239   1HD   LYS  34           HD2      LYS  34  -0.786  -6.363   3.371
  240   2HD   LYS  34           HD1      LYS  34  -1.992  -6.084   2.115
  241   1HE   LYS  34           HE2      LYS  34  -1.413  -8.460   1.288
  242   2HE   LYS  34           HE1      LYS  34  -0.627  -8.672   2.854
  243   1HZ   LYS  34           HZ1      LYS  34  -3.025  -7.565   3.482
  244   2HZ   LYS  34           HZ3      LYS  34  -3.419  -8.611   2.206
  245   3HZ   LYS  34           HZ2      LYS  34  -2.640  -9.216   3.589
  246    H    CYS  35           HN       CYS  35  -2.495  -3.523  -0.611
  247    HA   CYS  35           HA       CYS  35  -3.774  -1.895   1.374
  248   1HB   CYS  35           HB2      CYS  35  -5.095  -3.600  -0.760
  249   2HB   CYS  35           HB1      CYS  35  -5.807  -2.213   0.066
  250    H    PHE  36           HN       PHE  36  -5.484  -2.474   2.836
  251    HA   PHE  36           HA       PHE  36  -5.240  -5.260   3.831
  252   1HB   PHE  36           HB2      PHE  36  -6.089  -2.643   5.001
  253   2HB   PHE  36           HB1      PHE  36  -6.780  -4.114   5.685
  254    HD1  PHE  36           HD1      PHE  36  -3.401  -3.614   4.187
  255    HD2  PHE  36           HD2      PHE  36  -5.668  -4.345   7.762
  256    HE1  PHE  36           HE1      PHE  36  -1.298  -4.016   5.439
  257    HE2  PHE  36           HE2      PHE  36  -3.565  -4.749   9.013
  258    HZ   PHE  36           HZ       PHE  36  -1.380  -4.583   7.852
  259    H    GLY  37           HN       GLY  37  -6.638  -5.278   1.494
  260   1HA   GLY  37           HA2      GLY  37  -9.093  -6.496   2.159
  261   2HA   GLY  37           HA1      GLY  37  -9.457  -4.822   1.741
  262    H    ARG  38           HN       ARG  38  -7.263  -4.642  -0.213
  263    HA   ARG  38           HA       ARG  38  -7.014  -4.936  -2.528
  264   1HB   ARG  38           HB2      ARG  38  -8.075  -7.724  -2.349
  265   2HB   ARG  38           HB1      ARG  38  -6.665  -7.116  -3.211
  266   1HG   ARG  38           HG2      ARG  38  -5.390  -7.869  -1.518
  267   2HG   ARG  38           HG1      ARG  38  -6.132  -6.652  -0.481
  268   1HD   ARG  38           HD2      ARG  38  -6.746  -8.522   0.711
  269   2HD   ARG  38           HD1      ARG  38  -8.094  -8.490  -0.425
  270    HE   ARG  38           HE       ARG  38  -5.671 -10.204  -0.815
  271   1HH1  ARG  38          HH11      ARG  38  -7.064 -10.240  -3.269
  272   2HH1  ARG  38          HH12      ARG  38  -8.321 -11.414  -3.072
  273   1HH2  ARG  38          HH21      ARG  38  -8.151 -11.407   0.391
  274   2HH2  ARG  38          HH22      ARG  38  -8.934 -12.076  -1.002
   
  No H/Q in entry =         274
  Start of MODEL   16
    1   1H    THR   4           HT1      THR   4   3.465  -2.848  -9.894
    2   2H    THR   4           HT3      THR   4   3.207  -4.454  -9.408
    3   3H    THR   4           HT2      THR   4   2.057  -3.261  -9.035
    4    HA   THR   4           HA       THR   4   3.074  -3.258  -7.044
    5    HB   THR   4           HB       THR   4   5.633  -3.800  -6.981
    6    HG1  THR   4           HG1      THR   4   6.222  -3.829  -9.042
    7   1HG2  THR   4          HG21      THR   4   3.321  -5.637  -7.463
    8   2HG2  THR   4          HG23      THR   4   4.942  -6.327  -7.388
    9   3HG2  THR   4          HG22      THR   4   4.301  -5.429  -6.012
   10    H    ILE   5           HN       ILE   5   4.338  -1.633  -5.915
   11    HA   ILE   5           HA       ILE   5   5.537   0.447  -7.689
   12    HB   ILE   5           HB       ILE   5   4.146   1.450  -5.279
   13   1HG1  ILE   5          HG12      ILE   5   2.436   0.759  -7.668
   14   2HG1  ILE   5          HG11      ILE   5   2.616  -0.380  -6.334
   15   1HG2  ILE   5          HG21      ILE   5   5.241   2.900  -6.946
   16   2HG2  ILE   5          HG23      ILE   5   4.168   2.273  -8.197
   17   3HG2  ILE   5          HG22      ILE   5   3.509   3.223  -6.864
   18   1HD1  ILE   5          HD13      ILE   5   2.130   2.184  -5.194
   19   2HD1  ILE   5          HD12      ILE   5   0.934   1.934  -6.465
   20   3HD1  ILE   5          HD11      ILE   5   1.087   0.762  -5.157
   21    H    SER   6           HN       SER   6   7.003   1.916  -6.476
   22    HA   SER   6           HA       SER   6   8.381   0.422  -4.302
   23   1HB   SER   6           HB2      SER   6   9.668   1.234  -6.321
   24   2HB   SER   6           HB1      SER   6   9.336   2.879  -5.792
   25    HG   SER   6           HG       SER   6  11.168   2.493  -4.759
   26    H    CYS   7           HN       CYS   7   7.122   0.965  -2.525
   27    HA   CYS   7           HA       CYS   7   6.554   3.819  -1.984
   28   1HB   CYS   7           HB2      CYS   7   5.302   2.868  -0.006
   29   2HB   CYS   7           HB1      CYS   7   4.715   2.309  -1.573
   30    H    THR   8           HN       THR   8   7.543   4.976  -0.360
   31    HA   THR   8           HA       THR   8   9.825   3.644   1.016
   32    HB   THR   8           HB       THR   8  10.665   5.919   1.406
   33    HG1  THR   8           HG1      THR   8   8.454   6.783   1.518
   34   1HG2  THR   8          HG23      THR   8  10.654   4.623  -0.968
   35   2HG2  THR   8          HG22      THR   8   9.846   6.118  -1.439
   36   3HG2  THR   8          HG21      THR   8  11.456   6.174  -0.724
   37    H    ASN   9           HN       ASN   9   6.674   4.157   1.604
   38    HA   ASN   9           HA       ASN   9   6.864   3.804   4.430
   39   1HB   ASN   9           HB2      ASN   9   6.837   6.582   3.454
   40   2HB   ASN   9           HB1      ASN   9   5.567   6.231   4.627
   41   1HD2  ASN   9          HD22      ASN   9   8.770   7.158   6.416
   42   2HD2  ASN   9          HD21      ASN   9   7.869   7.925   5.200
   43    HA   PRO  10           HA       PRO  10   2.637   2.809   3.789
   44   1HB   PRO  10           HB2      PRO  10   1.548   3.381   6.246
   45   2HB   PRO  10           HB1      PRO  10   2.595   1.982   5.943
   46   1HG   PRO  10           HG2      PRO  10   3.226   4.534   7.354
   47   2HG   PRO  10           HG1      PRO  10   3.945   2.929   7.563
   48   1HD   PRO  10           HD2      PRO  10   5.096   5.081   6.131
   49   2HD   PRO  10           HD1      PRO  10   5.623   3.384   6.063
   50    H    LYS  11           HN       LYS  11   3.255   6.016   5.134
   51    HA   LYS  11           HA       LYS  11   0.672   7.142   4.907
   52   1HB   LYS  11           HB2      LYS  11   3.373   8.454   4.474
   53   2HB   LYS  11           HB1      LYS  11   1.857   9.325   4.703
   54   1HG   LYS  11           HG2      LYS  11   1.619   8.567   6.929
   55   2HG   LYS  11           HG1      LYS  11   2.795   7.272   6.703
   56   1HD   LYS  11           HD2      LYS  11   4.468   9.218   6.210
   57   2HD   LYS  11           HD1      LYS  11   3.280  10.220   7.043
   58   1HE   LYS  11           HE2      LYS  11   4.865   9.458   8.696
   59   2HE   LYS  11           HE1      LYS  11   3.362   8.571   8.956
   60   1HZ   LYS  11           HZ3      LYS  11   5.048   7.263   7.071
   61   2HZ   LYS  11           HZ2      LYS  11   5.845   7.490   8.554
   62   3HZ   LYS  11           HZ1      LYS  11   4.363   6.660   8.502
   63    H    GLN  12           HN       GLN  12   2.831   6.112   2.434
   64    HA   GLN  12           HA       GLN  12   1.479   7.784   0.387
   65   1HB   GLN  12           HB2      GLN  12   3.839   5.888   0.263
   66   2HB   GLN  12           HB1      GLN  12   3.153   6.675  -1.160
   67   1HG   GLN  12           HG2      GLN  12   4.399   8.015   1.253
   68   2HG   GLN  12           HG1      GLN  12   4.985   8.048  -0.410
   69   1HE2  GLN  12          HE22      GLN  12   2.865  11.125   0.477
   70   2HE2  GLN  12          HE21      GLN  12   4.087  10.345   1.360
   71    H    CYS  13           HN       CYS  13   1.863   4.409   1.379
   72    HA   CYS  13           HA       CYS  13   0.228   3.392  -0.818
   73   1HB   CYS  13           HB2      CYS  13   1.736   2.281   1.446
   74   2HB   CYS  13           HB1      CYS  13   0.220   1.434   1.136
   75    H    TYR  14           HN       TYR  14  -0.432   5.035   2.058
   76    HA   TYR  14           HA       TYR  14  -2.819   3.715   2.890
   77   1HB   TYR  14           HB2      TYR  14  -1.469   6.305   3.404
   78   2HB   TYR  14           HB1      TYR  14  -3.200   6.254   3.720
   79    HD1  TYR  14           HD2      TYR  14  -0.740   3.480   3.974
   80    HD2  TYR  14           HD1      TYR  14  -3.282   6.208   6.106
   81    HE1  TYR  14           HE2      TYR  14  -0.275   2.260   6.082
   82    HE2  TYR  14           HE1      TYR  14  -2.816   4.988   8.216
   83    HH   TYR  14           HH       TYR  14  -2.099   2.693   8.890
   84    HA   PRO  15           HA       PRO  15  -5.062   6.893   0.118
   85   1HB   PRO  15           HB2      PRO  15  -3.458   8.406  -1.544
   86   2HB   PRO  15           HB1      PRO  15  -4.069   8.950   0.031
   87   1HG   PRO  15           HG2      PRO  15  -1.318   8.117  -0.736
   88   2HG   PRO  15           HG1      PRO  15  -1.851   9.121   0.616
   89   1HD   PRO  15           HD2      PRO  15  -1.071   6.407   0.809
   90   2HD   PRO  15           HD1      PRO  15  -1.905   7.358   2.050
   91    H    HIS  16           HN       HIS  16  -2.050   5.747  -1.465
   92    HA   HIS  16           HA       HIS  16  -3.107   5.271  -4.034
   93   1HB   HIS  16           HB2      HIS  16  -0.734   4.987  -3.677
   94   2HB   HIS  16           HB1      HIS  16  -1.013   3.727  -2.475
   95    HD1  HIS  16           HD1      HIS  16  -2.462   4.157  -5.981
   96    HD2  HIS  16           HD2      HIS  16  -0.307   1.378  -3.744
   97    HE1  HIS  16           HE1      HIS  16  -2.192   2.111  -7.449
   98    H    CYS  17           HN       CYS  17  -3.270   3.299  -1.097
   99    HA   CYS  17           HA       CYS  17  -4.567   1.050  -2.373
  100   1HB   CYS  17           HB2      CYS  17  -4.355   1.930   0.515
  101   2HB   CYS  17           HB1      CYS  17  -5.169   0.445   0.020
  102    H    LYS  18           HN       LYS  18  -5.765   3.867  -0.528
  103    HA   LYS  18           HA       LYS  18  -8.495   3.145  -0.449
  104   1HB   LYS  18           HB2      LYS  18  -7.822   5.077   0.786
  105   2HB   LYS  18           HB1      LYS  18  -7.145   5.845  -0.650
  106   1HG   LYS  18           HG2      LYS  18  -9.394   6.033  -1.630
  107   2HG   LYS  18           HG1      LYS  18 -10.085   5.231  -0.218
  108   1HD   LYS  18           HD2      LYS  18  -9.354   7.050   1.229
  109   2HD   LYS  18           HD1      LYS  18  -8.523   7.829  -0.119
  110   1HE   LYS  18           HE2      LYS  18 -10.649   8.942   0.159
  111   2HE   LYS  18           HE1      LYS  18 -10.751   7.961  -1.303
  112   1HZ   LYS  18           HZ3      LYS  18 -11.485   6.441   0.970
  113   2HZ   LYS  18           HZ2      LYS  18 -12.417   7.859   0.893
  114   3HZ   LYS  18           HZ1      LYS  18 -12.390   6.784  -0.423
  115    H    LYS  19           HN       LYS  19  -6.510   4.011  -3.125
  116    HA   LYS  19           HA       LYS  19  -8.803   4.734  -4.842
  117   1HB   LYS  19           HB2      LYS  19  -6.195   4.253  -6.135
  118   2HB   LYS  19           HB1      LYS  19  -7.263   5.649  -6.250
  119   1HG   LYS  19           HG2      LYS  19  -6.473   6.087  -3.773
  120   2HG   LYS  19           HG1      LYS  19  -5.108   5.074  -4.242
  121   1HD   LYS  19           HD2      LYS  19  -4.639   6.553  -6.147
  122   2HD   LYS  19           HD1      LYS  19  -6.028   7.554  -5.724
  123   1HE   LYS  19           HE2      LYS  19  -4.969   7.965  -3.483
  124   2HE   LYS  19           HE1      LYS  19  -3.538   7.109  -4.055
  125   1HZ   LYS  19           HZ3      LYS  19  -4.673   9.371  -5.574
  126   2HZ   LYS  19           HZ2      LYS  19  -3.596   9.635  -4.288
  127   3HZ   LYS  19           HZ1      LYS  19  -3.105   8.731  -5.640
  128    H    GLU  20           HN       GLU  20  -6.683   2.008  -4.213
  129    HA   GLU  20           HA       GLU  20  -7.459   0.513  -6.566
  130   1HB   GLU  20           HB2      GLU  20  -5.762   0.098  -4.205
  131   2HB   GLU  20           HB1      GLU  20  -6.586  -1.364  -4.749
  132   1HG   GLU  20           HG2      GLU  20  -5.087   0.455  -6.645
  133   2HG   GLU  20           HG1      GLU  20  -4.317  -0.905  -5.828
  134    H    THR  21           HN       THR  21  -8.421   0.444  -3.143
  135    HA   THR  21           HA       THR  21 -10.851  -1.077  -3.978
  136    HB   THR  21           HB       THR  21  -9.486  -2.634  -2.752
  137    HG1  THR  21           HG1      THR  21 -11.159  -1.663  -0.729
  138   1HG2  THR  21          HG22      THR  21  -8.332  -0.455  -1.578
  139   2HG2  THR  21          HG21      THR  21  -9.338  -1.049  -0.262
  140   3HG2  THR  21          HG23      THR  21  -8.135  -2.105  -0.997
  141    H    GLY  22           HN       GLY  22  -9.506   0.983  -1.372
  142   1HA   GLY  22           HA2      GLY  22 -11.111   3.117  -1.330
  143   2HA   GLY  22           HA1      GLY  22 -12.227   1.893  -0.732
  144    H    TYR  23           HN       TYR  23 -10.007   0.429   0.624
  145    HA   TYR  23           HA       TYR  23 -10.027   2.050   3.083
  146   1HB   TYR  23           HB2      TYR  23  -9.116  -0.777   2.488
  147   2HB   TYR  23           HB1      TYR  23  -8.975  -0.025   4.078
  148    HD1  TYR  23           HD1      TYR  23 -11.524  -0.539   1.371
  149    HD2  TYR  23           HD2      TYR  23 -10.733  -0.279   5.584
  150    HE1  TYR  23           HE1      TYR  23 -13.897  -1.083   1.850
  151    HE2  TYR  23           HE2      TYR  23 -13.104  -0.823   6.064
  152    HH   TYR  23           HH       TYR  23 -15.433  -1.381   3.418
  153    HA   PRO  24           HA       PRO  24  -5.901   3.457   2.387
  154   1HB   PRO  24           HB2      PRO  24  -5.514   4.542   4.884
  155   2HB   PRO  24           HB1      PRO  24  -6.484   5.317   3.618
  156   1HG   PRO  24           HG2      PRO  24  -7.394   3.916   6.086
  157   2HG   PRO  24           HG1      PRO  24  -8.213   5.172   5.143
  158   1HD   PRO  24           HD2      PRO  24  -8.774   2.388   5.070
  159   2HD   PRO  24           HD1      PRO  24  -9.385   3.615   3.940
  160    H    ASN  25           HN       ASN  25  -6.764   1.333   5.055
  161    HA   ASN  25           HA       ASN  25  -4.292   0.811   6.243
  162   1HB   ASN  25           HB2      ASN  25  -6.703  -0.280   6.563
  163   2HB   ASN  25           HB1      ASN  25  -6.004  -1.540   5.546
  164   1HD2  ASN  25          HD22      ASN  25  -5.187  -2.283   9.145
  165   2HD2  ASN  25          HD21      ASN  25  -6.638  -2.050   8.294
  166    H    ALA  26           HN       ALA  26  -2.421  -0.176   5.588
  167    HA   ALA  26           HA       ALA  26  -2.196  -2.184   3.596
  168   1HB   ALA  26           HB3      ALA  26  -2.907   0.050   2.313
  169   2HB   ALA  26           HB2      ALA  26  -1.176   0.368   2.424
  170   3HB   ALA  26           HB1      ALA  26  -1.755  -1.087   1.612
  171    H    LYS  27           HN       LYS  27  -0.050  -2.934   3.515
  172    HA   LYS  27           HA       LYS  27   1.880  -1.401   5.202
  173   1HB   LYS  27           HB2      LYS  27   1.241  -4.280   4.910
  174   2HB   LYS  27           HB1      LYS  27   2.954  -3.890   5.050
  175   1HG   LYS  27           HG2      LYS  27   1.848  -4.288   7.262
  176   2HG   LYS  27           HG1      LYS  27   2.571  -2.686   7.118
  177   1HD   LYS  27           HD2      LYS  27   0.395  -2.366   8.074
  178   2HD   LYS  27           HD1      LYS  27   0.287  -1.845   6.392
  179   1HE   LYS  27           HE2      LYS  27  -1.600  -3.200   6.563
  180   2HE   LYS  27           HE1      LYS  27  -0.405  -4.352   5.970
  181   1HZ   LYS  27           HZ3      LYS  27  -0.148  -4.301   8.723
  182   2HZ   LYS  27           HZ2      LYS  27  -1.818  -4.360   8.417
  183   3HZ   LYS  27           HZ1      LYS  27  -0.791  -5.551   7.774
  184    H    CYS  28           HN       CYS  28   4.246  -2.195   4.554
  185    HA   CYS  28           HA       CYS  28   4.524  -2.395   1.607
  186   1HB   CYS  28           HB2      CYS  28   5.241  -0.057   3.291
  187   2HB   CYS  28           HB1      CYS  28   6.469  -0.568   2.133
  188    H    MET  29           HN       MET  29   5.478  -4.448   1.826
  189    HA   MET  29           HA       MET  29   7.849  -4.635   3.621
  190   1HB   MET  29           HB2      MET  29   6.033  -6.704   2.383
  191   2HB   MET  29           HB1      MET  29   7.585  -7.139   3.099
  192   1HG   MET  29           HG2      MET  29   6.774  -5.804   5.167
  193   2HG   MET  29           HG1      MET  29   5.171  -5.935   4.445
  194   1HE   MET  29           HE3      MET  29   8.330  -7.511   5.123
  195   2HE   MET  29           HE2      MET  29   7.880  -8.352   6.605
  196   3HE   MET  29           HE1      MET  29   8.081  -9.262   5.110
  197    H    ASN  30           HN       ASN  30   9.779  -4.399   2.672
  198    HA   ASN  30           HA       ASN  30  11.350  -4.150   0.920
  199   1HB   ASN  30           HB2      ASN  30  11.598  -6.470  -0.246
  200   2HB   ASN  30           HB1      ASN  30  11.888  -6.357   1.491
  201   1HD2  ASN  30          HD22      ASN  30   8.763  -8.557   0.116
  202   2HD2  ASN  30          HD21      ASN  30   9.780  -7.720  -0.952
  203    H    ARG  31           HN       ARG  31   9.724  -2.629  -0.231
  204    HA   ARG  31           HA       ARG  31   8.719  -1.944  -2.244
  205   1HB   ARG  31           HB2      ARG  31  10.993  -3.546  -2.858
  206   2HB   ARG  31           HB1      ARG  31   9.724  -3.971  -4.006
  207   1HG   ARG  31           HG2      ARG  31  10.688  -2.145  -5.076
  208   2HG   ARG  31           HG1      ARG  31   9.407  -1.353  -4.156
  209   1HD   ARG  31           HD2      ARG  31  11.430  -0.097  -3.782
  210   2HD   ARG  31           HD1      ARG  31  11.089  -0.993  -2.301
  211    HE   ARG  31           HE       ARG  31  12.773  -2.642  -3.833
  212   1HH1  ARG  31          HH11      ARG  31  12.765   0.008  -1.700
  213   2HH1  ARG  31          HH12      ARG  31  14.482   0.238  -1.733
  214   1HH2  ARG  31          HH21      ARG  31  15.022  -2.144  -4.192
  215   2HH2  ARG  31          HH22      ARG  31  15.757  -0.977  -3.143
  216    H    LYS  32           HN       LYS  32   7.192  -3.794  -0.636
  217    HA   LYS  32           HA       LYS  32   5.573  -5.007  -2.819
  218   1HB   LYS  32           HB2      LYS  32   7.176  -6.562  -1.198
  219   2HB   LYS  32           HB1      LYS  32   5.618  -6.623  -0.369
  220   1HG   LYS  32           HG2      LYS  32   4.891  -6.908  -3.015
  221   2HG   LYS  32           HG1      LYS  32   6.412  -7.800  -2.941
  222   1HD   LYS  32           HD2      LYS  32   5.586  -9.361  -1.454
  223   2HD   LYS  32           HD1      LYS  32   4.433  -8.230  -0.743
  224   1HE   LYS  32           HE2      LYS  32   2.832  -8.659  -2.323
  225   2HE   LYS  32           HE1      LYS  32   4.017  -8.898  -3.607
  226   1HZ   LYS  32           HZ1      LYS  32   4.075 -10.867  -1.485
  227   2HZ   LYS  32           HZ3      LYS  32   2.667 -10.878  -2.431
  228   3HZ   LYS  32           HZ2      LYS  32   4.185 -11.075  -3.168
  229    H    CYS  33           HN       CYS  33   4.376  -2.969  -2.270
  230    HA   CYS  33           HA       CYS  33   3.179  -2.473   0.251
  231   1HB   CYS  33           HB2      CYS  33   3.190  -0.944  -1.776
  232   2HB   CYS  33           HB1      CYS  33   1.887  -1.934  -2.434
  233    H    LYS  34           HN       LYS  34   0.842  -2.811   0.812
  234    HA   LYS  34           HA       LYS  34  -0.503  -5.065  -0.532
  235   1HB   LYS  34           HB2      LYS  34   1.191  -5.725   1.490
  236   2HB   LYS  34           HB1      LYS  34  -0.288  -5.422   2.404
  237   1HG   LYS  34           HG2      LYS  34  -1.508  -7.056   1.160
  238   2HG   LYS  34           HG1      LYS  34  -0.239  -7.177  -0.060
  239   1HD   LYS  34           HD2      LYS  34  -0.081  -9.104   1.414
  240   2HD   LYS  34           HD1      LYS  34   1.304  -8.053   1.712
  241   1HE   LYS  34           HE2      LYS  34  -0.440  -7.004   3.490
  242   2HE   LYS  34           HE1      LYS  34  -1.017  -8.670   3.462
  243   1HZ   LYS  34           HZ3      LYS  34   1.857  -8.063   3.736
  244   2HZ   LYS  34           HZ2      LYS  34   0.834  -8.061   5.093
  245   3HZ   LYS  34           HZ1      LYS  34   1.023  -9.475   4.170
  246    H    CYS  35           HN       CYS  35  -2.400  -3.954  -0.871
  247    HA   CYS  35           HA       CYS  35  -3.494  -2.218   1.241
  248   1HB   CYS  35           HB2      CYS  35  -4.765  -2.990  -1.400
  249   2HB   CYS  35           HB1      CYS  35  -5.176  -1.610  -0.381
  250    H    PHE  36           HN       PHE  36  -5.296  -2.709   2.490
  251    HA   PHE  36           HA       PHE  36  -6.046  -5.554   2.612
  252   1HB   PHE  36           HB2      PHE  36  -6.476  -3.145   4.345
  253   2HB   PHE  36           HB1      PHE  36  -7.531  -4.545   4.544
  254    HD1  PHE  36           HD2      PHE  36  -3.875  -4.113   3.801
  255    HD2  PHE  36           HD1      PHE  36  -6.860  -5.868   6.341
  256    HE1  PHE  36           HE2      PHE  36  -2.099  -5.270   5.089
  257    HE2  PHE  36           HE1      PHE  36  -5.085  -7.025   7.628
  258    HZ   PHE  36           HZ       PHE  36  -2.704  -6.726   7.002
  259    H    GLY  37           HN       GLY  37  -6.921  -4.527   0.224
  260   1HA   GLY  37           HA2      GLY  37  -9.371  -3.264  -0.010
  261   2HA   GLY  37           HA1      GLY  37  -8.905  -4.608  -1.052
  262    H    ARG  38           HN       ARG  38  -8.869  -6.709   0.786
  263    HA   ARG  38           HA       ARG  38 -11.159  -6.828   2.484
  264   1HB   ARG  38           HB2      ARG  38 -12.425  -8.484   0.901
  265   2HB   ARG  38           HB1      ARG  38 -12.631  -6.749   0.662
  266   1HG   ARG  38           HG2      ARG  38 -12.193  -7.544  -1.511
  267   2HG   ARG  38           HG1      ARG  38 -10.619  -6.958  -0.974
  268   1HD   ARG  38           HD2      ARG  38 -10.736  -9.602  -0.056
  269   2HD   ARG  38           HD1      ARG  38 -11.431  -9.661  -1.676
  270    HE   ARG  38           HE       ARG  38  -8.658  -9.327  -1.112
  271   1HH1  ARG  38          HH11      ARG  38  -9.015  -6.577  -2.004
  272   2HH1  ARG  38          HH12      ARG  38  -8.934  -6.691  -3.731
  273   1HH2  ARG  38          HH21      ARG  38  -9.493 -10.113  -3.793
  274   2HH2  ARG  38          HH22      ARG  38  -9.204  -8.693  -4.744
   
  No H/Q in entry =         274
  Start of MODEL   17
    1   1H    THR   4           HT3      THR   4   4.040  -4.228  -9.126
    2   2H    THR   4           HT2      THR   4   2.819  -5.311  -8.652
    3   3H    THR   4           HT1      THR   4   2.412  -3.848  -9.415
    4    HA   THR   4           HA       THR   4   1.958  -3.431  -7.190
    5    HB   THR   4           HB       THR   4   4.428  -4.063  -5.889
    6    HG1  THR   4           HG1      THR   4   4.666  -6.171  -6.377
    7   1HG2  THR   4          HG21      THR   4   1.547  -4.828  -5.747
    8   2HG2  THR   4          HG23      THR   4   2.704  -5.836  -4.880
    9   3HG2  THR   4          HG22      THR   4   2.583  -4.117  -4.510
   10    H    ILE   5           HN       ILE   5   3.827  -2.189  -5.487
   11    HA   ILE   5           HA       ILE   5   5.298  -0.321  -7.287
   12    HB   ILE   5           HB       ILE   5   3.897   0.850  -4.928
   13   1HG1  ILE   5          HG12      ILE   5   2.436   0.410  -7.544
   14   2HG1  ILE   5          HG11      ILE   5   2.219  -0.651  -6.151
   15   1HG2  ILE   5          HG22      ILE   5   5.067   1.669  -7.502
   16   2HG2  ILE   5          HG21      ILE   5   3.541   2.469  -7.124
   17   3HG2  ILE   5          HG23      ILE   5   4.896   2.581  -6.001
   18   1HD1  ILE   5          HD12      ILE   5   2.003   2.283  -5.663
   19   2HD1  ILE   5          HD11      ILE   5   0.678   1.515  -6.538
   20   3HD1  ILE   5          HD13      ILE   5   1.112   0.951  -4.924
   21    H    SER   6           HN       SER   6   6.761   1.146  -5.905
   22    HA   SER   6           HA       SER   6   7.841  -0.439  -3.605
   23   1HB   SER   6           HB2      SER   6  10.057   0.401  -4.202
   24   2HB   SER   6           HB1      SER   6   9.336  -0.372  -5.610
   25    HG   SER   6           HG       SER   6  10.257   1.688  -6.081
   26    H    CYS   7           HN       CYS   7   7.775   0.650  -1.672
   27    HA   CYS   7           HA       CYS   7   7.766   3.627  -1.773
   28   1HB   CYS   7           HB2      CYS   7   5.760   3.845  -0.701
   29   2HB   CYS   7           HB1      CYS   7   5.452   2.255  -1.385
   30    H    THR   8           HN       THR   8   8.239   4.587   0.405
   31    HA   THR   8           HA       THR   8  10.135   2.830   1.910
   32    HB   THR   8           HB       THR   8  11.548   4.636   2.202
   33    HG1  THR   8           HG1      THR   8   9.197   6.201   2.050
   34   1HG2  THR   8          HG21      THR   8  11.004   4.275  -0.291
   35   2HG2  THR   8          HG23      THR   8  10.067   5.764  -0.171
   36   3HG2  THR   8          HG22      THR   8  11.801   5.787   0.149
   37    H    ASN   9           HN       ASN   9   7.211   4.585   2.022
   38    HA   ASN   9           HA       ASN   9   6.935   3.969   4.905
   39   1HB   ASN   9           HB2      ASN   9   5.746   6.365   4.963
   40   2HB   ASN   9           HB1      ASN   9   7.469   6.186   5.293
   41   1HD2  ASN   9          HD22      ASN   9   6.348   7.671   1.617
   42   2HD2  ASN   9          HD21      ASN   9   5.293   6.623   2.436
   43    HA   PRO  10           HA       PRO  10   2.849   2.944   3.686
   44   1HB   PRO  10           HB2      PRO  10   1.450   3.595   5.957
   45   2HB   PRO  10           HB1      PRO  10   2.487   2.164   5.818
   46   1HG   PRO  10           HG2      PRO  10   2.986   4.721   7.268
   47   2HG   PRO  10           HG1      PRO  10   3.637   3.105   7.588
   48   1HD   PRO  10           HD2      PRO  10   5.015   5.213   6.306
   49   2HD   PRO  10           HD1      PRO  10   5.504   3.504   6.314
   50    H    LYS  11           HN       LYS  11   3.380   6.186   4.890
   51    HA   LYS  11           HA       LYS  11   0.888   7.393   4.492
   52   1HB   LYS  11           HB2      LYS  11   3.702   8.302   4.448
   53   2HB   LYS  11           HB1      LYS  11   2.563   9.351   3.601
   54   1HG   LYS  11           HG2      LYS  11   1.139   8.833   5.851
   55   2HG   LYS  11           HG1      LYS  11   2.778   8.744   6.498
   56   1HD   LYS  11           HD2      LYS  11   3.245  10.967   5.998
   57   2HD   LYS  11           HD1      LYS  11   2.053  11.031   4.698
   58   1HE   LYS  11           HE2      LYS  11   0.485  10.477   6.895
   59   2HE   LYS  11           HE1      LYS  11   1.713  11.543   7.575
   60   1HZ   LYS  11           HZ3      LYS  11   1.202  12.880   5.392
   61   2HZ   LYS  11           HZ2      LYS  11  -0.294  12.085   5.519
   62   3HZ   LYS  11           HZ1      LYS  11   0.256  13.075   6.786
   63    H    GLN  12           HN       GLN  12   2.985   6.043   2.086
   64    HA   GLN  12           HA       GLN  12   1.676   7.578  -0.085
   65   1HB   GLN  12           HB2      GLN  12   4.170   6.128   0.227
   66   2HB   GLN  12           HB1      GLN  12   3.311   5.603  -1.222
   67   1HG   GLN  12           HG2      GLN  12   2.965   8.136  -1.675
   68   2HG   GLN  12           HG1      GLN  12   4.260   8.370  -0.502
   69   1HE2  GLN  12          HE22      GLN  12   5.282   7.471  -4.231
   70   2HE2  GLN  12          HE21      GLN  12   3.781   8.114  -3.771
   71    H    CYS  13           HN       CYS  13   1.893   4.228   1.100
   72    HA   CYS  13           HA       CYS  13   0.122   3.233  -1.003
   73   1HB   CYS  13           HB2      CYS  13   1.376   2.064   1.469
   74   2HB   CYS  13           HB1      CYS  13   0.072   1.200   0.655
   75    H    TYR  14           HN       TYR  14  -0.343   4.967   1.859
   76    HA   TYR  14           HA       TYR  14  -2.774   3.795   2.799
   77   1HB   TYR  14           HB2      TYR  14  -1.197   6.229   3.293
   78   2HB   TYR  14           HB1      TYR  14  -2.928   6.428   3.541
   79    HD1  TYR  14           HD1      TYR  14  -3.987   4.129   4.695
   80    HD2  TYR  14           HD2      TYR  14  -0.014   5.680   5.202
   81    HE1  TYR  14           HE1      TYR  14  -3.790   2.924   6.855
   82    HE2  TYR  14           HE2      TYR  14   0.183   4.476   7.360
   83    HH   TYR  14           HH       TYR  14  -1.084   3.449   9.013
   84    HA   PRO  15           HA       PRO  15  -4.918   7.108   0.106
   85   1HB   PRO  15           HB2      PRO  15  -3.288   8.510  -1.626
   86   2HB   PRO  15           HB1      PRO  15  -3.783   9.091  -0.023
   87   1HG   PRO  15           HG2      PRO  15  -1.137   8.089  -0.923
   88   2HG   PRO  15           HG1      PRO  15  -1.541   9.088   0.475
   89   1HD   PRO  15           HD2      PRO  15  -0.951   6.309   0.539
   90   2HD   PRO  15           HD1      PRO  15  -1.595   7.288   1.867
   91    H    HIS  16           HN       HIS  16  -2.070   5.759  -1.597
   92    HA   HIS  16           HA       HIS  16  -3.260   5.387  -4.124
   93   1HB   HIS  16           HB2      HIS  16  -0.856   4.971  -3.668
   94   2HB   HIS  16           HB1      HIS  16  -1.293   3.532  -2.744
   95    HD1  HIS  16           HD1      HIS  16  -2.487   4.794  -6.147
   96    HD2  HIS  16           HD2      HIS  16  -0.803   1.397  -4.415
   97    HE1  HIS  16           HE1      HIS  16  -2.361   3.046  -7.975
   98    H    CYS  17           HN       CYS  17  -3.568   3.485  -1.167
   99    HA   CYS  17           HA       CYS  17  -5.067   1.357  -2.521
  100   1HB   CYS  17           HB2      CYS  17  -4.569   1.933   0.415
  101   2HB   CYS  17           HB1      CYS  17  -5.398   0.500  -0.194
  102    H    LYS  18           HN       LYS  18  -5.796   4.220  -0.578
  103    HA   LYS  18           HA       LYS  18  -8.511   3.687   0.000
  104   1HB   LYS  18           HB2      LYS  18  -7.314   5.593   0.970
  105   2HB   LYS  18           HB1      LYS  18  -7.196   6.347  -0.621
  106   1HG   LYS  18           HG2      LYS  18  -9.320   7.122  -0.524
  107   2HG   LYS  18           HG1      LYS  18  -9.938   5.577   0.062
  108   1HD   LYS  18           HD2      LYS  18 -10.198   6.551   2.077
  109   2HD   LYS  18           HD1      LYS  18  -8.438   6.599   2.198
  110   1HE   LYS  18           HE2      LYS  18  -8.321   8.813   1.393
  111   2HE   LYS  18           HE1      LYS  18  -9.945   8.744   0.708
  112   1HZ   LYS  18           HZ3      LYS  18  -9.981   8.221   3.501
  113   2HZ   LYS  18           HZ2      LYS  18  -9.240   9.716   3.179
  114   3HZ   LYS  18           HZ1      LYS  18 -10.814   9.407   2.622
  115    H    LYS  19           HN       LYS  19  -6.994   4.597  -3.016
  116    HA   LYS  19           HA       LYS  19  -9.654   5.136  -4.233
  117   1HB   LYS  19           HB2      LYS  19  -6.823   5.497  -5.250
  118   2HB   LYS  19           HB1      LYS  19  -8.250   5.745  -6.256
  119   1HG   LYS  19           HG2      LYS  19  -9.057   7.312  -4.350
  120   2HG   LYS  19           HG1      LYS  19  -7.371   7.300  -3.830
  121   1HD   LYS  19           HD2      LYS  19  -6.930   8.874  -5.373
  122   2HD   LYS  19           HD1      LYS  19  -7.331   7.703  -6.629
  123   1HE   LYS  19           HE2      LYS  19  -9.803   8.581  -5.600
  124   2HE   LYS  19           HE1      LYS  19  -8.820  10.035  -5.780
  125   1HZ   LYS  19           HZ2      LYS  19  -8.257   8.776  -8.049
  126   2HZ   LYS  19           HZ1      LYS  19  -9.846   8.228  -7.805
  127   3HZ   LYS  19           HZ3      LYS  19  -9.529   9.891  -7.894
  128    H    GLU  20           HN       GLU  20  -7.169   2.721  -4.059
  129    HA   GLU  20           HA       GLU  20  -7.935   1.318  -6.471
  130   1HB   GLU  20           HB2      GLU  20  -6.229   0.631  -4.085
  131   2HB   GLU  20           HB1      GLU  20  -6.587  -0.567  -5.329
  132   1HG   GLU  20           HG2      GLU  20  -5.682   2.086  -6.304
  133   2HG   GLU  20           HG1      GLU  20  -4.469   1.115  -5.471
  134    H    THR  21           HN       THR  21  -8.251   0.356  -3.025
  135    HA   THR  21           HA       THR  21 -10.690  -1.177  -3.830
  136    HB   THR  21           HB       THR  21  -9.026  -2.660  -2.919
  137    HG1  THR  21           HG1      THR  21 -11.149  -2.951  -2.130
  138   1HG2  THR  21          HG23      THR  21  -8.865  -0.713  -0.601
  139   2HG2  THR  21          HG22      THR  21  -8.009  -2.251  -0.705
  140   3HG2  THR  21          HG21      THR  21  -7.627  -0.952  -1.834
  141    H    GLY  22           HN       GLY  22  -9.863   1.693  -2.447
  142   1HA   GLY  22           HA2      GLY  22 -11.444   3.204  -1.477
  143   2HA   GLY  22           HA1      GLY  22 -12.430   1.821  -1.020
  144    H    TYR  23           HN       TYR  23 -10.790   0.237   0.430
  145    HA   TYR  23           HA       TYR  23 -10.559   1.654   2.925
  146   1HB   TYR  23           HB2      TYR  23  -9.728  -1.082   1.974
  147   2HB   TYR  23           HB1      TYR  23  -9.271  -0.512   3.577
  148    HD1  TYR  23           HD1      TYR  23 -12.388   0.685   2.072
  149    HD2  TYR  23           HD2      TYR  23 -10.643  -2.290   4.633
  150    HE1  TYR  23           HE1      TYR  23 -14.640   0.096   2.925
  151    HE2  TYR  23           HE2      TYR  23 -12.895  -2.877   5.485
  152    HH   TYR  23           HH       TYR  23 -15.631  -2.238   4.049
  153    HA   PRO  24           HA       PRO  24  -6.482   3.261   2.208
  154   1HB   PRO  24           HB2      PRO  24  -6.133   4.311   4.723
  155   2HB   PRO  24           HB1      PRO  24  -7.128   5.077   3.472
  156   1HG   PRO  24           HG2      PRO  24  -7.993   3.601   5.911
  157   2HG   PRO  24           HG1      PRO  24  -8.849   4.851   4.995
  158   1HD   PRO  24           HD2      PRO  24  -9.329   2.055   4.865
  159   2HD   PRO  24           HD1      PRO  24  -9.974   3.286   3.758
  160    H    ASN  25           HN       ASN  25  -7.266   1.152   4.930
  161    HA   ASN  25           HA       ASN  25  -4.828   0.652   6.123
  162   1HB   ASN  25           HB2      ASN  25  -7.286  -0.810   5.760
  163   2HB   ASN  25           HB1      ASN  25  -5.917  -1.915   5.648
  164   1HD2  ASN  25          HD22      ASN  25  -5.685  -1.970   9.155
  165   2HD2  ASN  25          HD21      ASN  25  -5.704  -2.843   7.698
  166    H    ALA  26           HN       ALA  26  -2.866   0.024   5.400
  167    HA   ALA  26           HA       ALA  26  -2.492  -1.989   3.364
  168   1HB   ALA  26           HB2      ALA  26  -3.139  -0.105   1.895
  169   2HB   ALA  26           HB1      ALA  26  -1.858   0.881   2.602
  170   3HB   ALA  26           HB3      ALA  26  -1.449  -0.548   1.652
  171    H    LYS  27           HN       LYS  27  -0.207  -2.506   3.121
  172    HA   LYS  27           HA       LYS  27   1.644  -0.993   4.892
  173   1HB   LYS  27           HB2      LYS  27   1.276  -4.002   5.002
  174   2HB   LYS  27           HB1      LYS  27   2.433  -3.062   5.946
  175   1HG   LYS  27           HG2      LYS  27   0.544  -1.826   6.988
  176   2HG   LYS  27           HG1      LYS  27  -0.589  -2.834   6.087
  177   1HD   LYS  27           HD2      LYS  27  -0.392  -3.827   8.259
  178   2HD   LYS  27           HD1      LYS  27   0.537  -4.849   7.162
  179   1HE   LYS  27           HE2      LYS  27   2.490  -3.158   7.870
  180   2HE   LYS  27           HE1      LYS  27   1.493  -3.023   9.318
  181   1HZ   LYS  27           HZ2      LYS  27   2.114  -5.678   8.218
  182   2HZ   LYS  27           HZ1      LYS  27   3.275  -4.871   9.157
  183   3HZ   LYS  27           HZ3      LYS  27   1.756  -5.234   9.818
  184    H    CYS  28           HN       CYS  28   3.738  -0.937   4.088
  185    HA   CYS  28           HA       CYS  28   4.140  -2.060   1.395
  186   1HB   CYS  28           HB2      CYS  28   5.410   0.017   3.067
  187   2HB   CYS  28           HB1      CYS  28   6.533  -0.914   2.078
  188    H    MET  29           HN       MET  29   6.171  -3.289   0.929
  189    HA   MET  29           HA       MET  29   7.172  -4.828   3.280
  190   1HB   MET  29           HB2      MET  29   5.596  -5.835   1.036
  191   2HB   MET  29           HB1      MET  29   7.148  -6.661   1.176
  192   1HG   MET  29           HG2      MET  29   5.978  -6.295   3.796
  193   2HG   MET  29           HG1      MET  29   4.836  -7.115   2.731
  194   1HE   MET  29           HE2      MET  29   4.680  -8.961   3.978
  195   2HE   MET  29           HE1      MET  29   5.001  -9.867   2.502
  196   3HE   MET  29           HE3      MET  29   5.775 -10.341   4.021
  197    H    ASN  30           HN       ASN  30   8.918  -6.499   1.874
  198    HA   ASN  30           HA       ASN  30  11.184  -4.892   1.486
  199   1HB   ASN  30           HB2      ASN  30  12.176  -6.814   0.318
  200   2HB   ASN  30           HB1      ASN  30  11.263  -7.358   1.726
  201   1HD2  ASN  30          HD22      ASN  30  10.277  -9.458  -1.226
  202   2HD2  ASN  30          HD21      ASN  30  11.747  -9.140  -0.440
  203    H    ARG  31           HN       ARG  31  10.668  -3.061   0.195
  204    HA   ARG  31           HA       ARG  31  10.394  -1.858  -1.802
  205   1HB   ARG  31           HB2      ARG  31  11.717  -4.410  -2.721
  206   2HB   ARG  31           HB1      ARG  31  11.270  -3.151  -3.874
  207   1HG   ARG  31           HG2      ARG  31  12.982  -2.661  -1.421
  208   2HG   ARG  31           HG1      ARG  31  13.633  -2.961  -3.031
  209   1HD   ARG  31           HD2      ARG  31  12.148  -1.014  -3.814
  210   2HD   ARG  31           HD1      ARG  31  11.959  -0.625  -2.106
  211    HE   ARG  31           HE       ARG  31  14.150   0.232  -2.137
  212   1HH1  ARG  31          HH11      ARG  31  15.651  -2.176  -2.834
  213   2HH1  ARG  31          HH12      ARG  31  16.307  -1.808  -4.394
  214   1HH2  ARG  31          HH21      ARG  31  14.120   0.818  -4.987
  215   2HH2  ARG  31          HH22      ARG  31  15.439  -0.115  -5.615
  216    H    LYS  32           HN       LYS  32   8.069  -3.162  -0.859
  217    HA   LYS  32           HA       LYS  32   6.636  -3.502  -3.423
  218   1HB   LYS  32           HB2      LYS  32   7.409  -5.733  -1.863
  219   2HB   LYS  32           HB1      LYS  32   5.679  -5.513  -1.592
  220   1HG   LYS  32           HG2      LYS  32   5.150  -5.810  -3.844
  221   2HG   LYS  32           HG1      LYS  32   6.765  -5.351  -4.387
  222   1HD   LYS  32           HD2      LYS  32   7.199  -7.562  -4.551
  223   2HD   LYS  32           HD1      LYS  32   7.219  -7.583  -2.787
  224   1HE   LYS  32           HE2      LYS  32   4.495  -7.633  -3.788
  225   2HE   LYS  32           HE1      LYS  32   5.436  -8.967  -4.454
  226   1HZ   LYS  32           HZ2      LYS  32   6.204  -8.935  -1.870
  227   2HZ   LYS  32           HZ1      LYS  32   4.565  -8.504  -1.750
  228   3HZ   LYS  32           HZ3      LYS  32   5.005  -9.953  -2.514
  229    H    CYS  33           HN       CYS  33   4.159  -4.184  -2.504
  230    HA   CYS  33           HA       CYS  33   3.366  -2.851  -0.086
  231   1HB   CYS  33           HB2      CYS  33   3.942  -0.808  -1.237
  232   2HB   CYS  33           HB1      CYS  33   3.064  -1.316  -2.679
  233    H    LYS  34           HN       LYS  34   1.265  -3.415   0.402
  234    HA   LYS  34           HA       LYS  34  -0.483  -4.401  -1.793
  235   1HB   LYS  34           HB2      LYS  34   0.795  -6.036   0.263
  236   2HB   LYS  34           HB1      LYS  34  -0.963  -6.176   0.303
  237   1HG   LYS  34           HG2      LYS  34  -0.919  -7.479  -1.529
  238   2HG   LYS  34           HG1      LYS  34  -0.115  -6.197  -2.434
  239   1HD   LYS  34           HD2      LYS  34   1.946  -7.144  -0.895
  240   2HD   LYS  34           HD1      LYS  34   1.025  -8.618  -1.191
  241   1HE   LYS  34           HE2      LYS  34   1.051  -7.309  -3.663
  242   2HE   LYS  34           HE1      LYS  34   2.680  -7.085  -3.030
  243   1HZ   LYS  34           HZ2      LYS  34   1.340  -9.721  -2.987
  244   2HZ   LYS  34           HZ1      LYS  34   2.229  -9.193  -4.335
  245   3HZ   LYS  34           HZ3      LYS  34   2.997  -9.375  -2.834
  246    H    CYS  35           HN       CYS  35  -2.634  -3.889  -1.440
  247    HA   CYS  35           HA       CYS  35  -3.210  -2.222   0.927
  248   1HB   CYS  35           HB2      CYS  35  -5.055  -2.917  -1.372
  249   2HB   CYS  35           HB1      CYS  35  -5.222  -1.581  -0.233
  250    H    PHE  36           HN       PHE  36  -5.374  -2.599   2.031
  251    HA   PHE  36           HA       PHE  36  -5.723  -5.528   2.487
  252   1HB   PHE  36           HB2      PHE  36  -6.020  -3.099   4.218
  253   2HB   PHE  36           HB1      PHE  36  -6.997  -4.522   4.580
  254    HD1  PHE  36           HD2      PHE  36  -3.575  -4.453   3.112
  255    HD2  PHE  36           HD1      PHE  36  -5.970  -5.333   6.566
  256    HE1  PHE  36           HE2      PHE  36  -1.618  -5.524   4.195
  257    HE2  PHE  36           HE1      PHE  36  -4.013  -6.405   7.651
  258    HZ   PHE  36           HZ       PHE  36  -1.837  -6.500   6.464
  259    H    GLY  37           HN       GLY  37  -6.984  -4.822   0.243
  260   1HA   GLY  37           HA2      GLY  37  -9.557  -3.645   0.463
  261   2HA   GLY  37           HA1      GLY  37  -9.087  -4.790  -0.792
  262    H    ARG  38           HN       ARG  38  -8.451  -6.948   1.047
  263    HA   ARG  38           HA       ARG  38 -11.206  -7.644   1.896
  264   1HB   ARG  38           HB2      ARG  38 -10.303 -10.048   1.690
  265   2HB   ARG  38           HB1      ARG  38 -10.584  -9.166   0.188
  266   1HG   ARG  38           HG2      ARG  38  -8.350  -8.989  -0.285
  267   2HG   ARG  38           HG1      ARG  38  -7.897  -8.843   1.414
  268   1HD   ARG  38           HD2      ARG  38  -9.031 -11.457   0.549
  269   2HD   ARG  38           HD1      ARG  38  -7.406 -11.070  -0.015
  270    HE   ARG  38           HE       ARG  38  -7.791 -10.639   2.854
  271   1HH1  ARG  38          HH11      ARG  38  -5.161 -11.270   2.477
  272   2HH1  ARG  38          HH12      ARG  38  -5.025 -12.995   2.549
  273   1HH2  ARG  38          HH21      ARG  38  -8.407 -13.550   2.021
  274   2HH2  ARG  38          HH22      ARG  38  -6.863 -14.286   2.293
   
  No H/Q in entry =         274
  Start of MODEL   18
    1   1H    THR   4           HT3      THR   4   4.980  -3.788  -4.730
    2   2H    THR   4           HT2      THR   4   3.373  -3.590  -4.215
    3   3H    THR   4           HT1      THR   4   3.939  -5.125  -4.668
    4    HA   THR   4           HA       THR   4   3.993  -4.600  -6.913
    5    HB   THR   4           HB       THR   4   1.699  -2.931  -6.738
    6    HG1  THR   4           HG1      THR   4   0.583  -3.864  -5.083
    7   1HG2  THR   4          HG21      THR   4   2.435  -5.261  -7.947
    8   2HG2  THR   4          HG23      THR   4   1.329  -5.862  -6.709
    9   3HG2  THR   4          HG22      THR   4   0.775  -4.668  -7.883
   10    H    ILE   5           HN       ILE   5   4.228  -1.883  -4.831
   11    HA   ILE   5           HA       ILE   5   5.160  -0.237  -7.140
   12    HB   ILE   5           HB       ILE   5   3.605   0.910  -4.809
   13   1HG1  ILE   5          HG12      ILE   5   2.499   0.386  -7.576
   14   2HG1  ILE   5          HG11      ILE   5   2.301  -0.770  -6.258
   15   1HG2  ILE   5          HG23      ILE   5   4.606   1.912  -7.471
   16   2HG2  ILE   5          HG22      ILE   5   3.267   2.711  -6.648
   17   3HG2  ILE   5          HG21      ILE   5   4.847   2.612  -5.870
   18   1HD1  ILE   5          HD11      ILE   5   1.506   2.141  -6.022
   19   2HD1  ILE   5          HD13      ILE   5   0.387   0.881  -6.543
   20   3HD1  ILE   5          HD12      ILE   5   1.094   0.819  -4.928
   21    H    SER   6           HN       SER   6   6.455   1.720  -6.253
   22    HA   SER   6           HA       SER   6   8.362   0.657  -4.260
   23   1HB   SER   6           HB2      SER   6   9.335   3.113  -4.972
   24   2HB   SER   6           HB1      SER   6   9.701   1.619  -5.831
   25    HG   SER   6           HG       SER   6   8.275   3.770  -6.635
   26    H    CYS   7           HN       CYS   7   7.319   0.921  -2.258
   27    HA   CYS   7           HA       CYS   7   6.859   3.762  -1.463
   28   1HB   CYS   7           HB2      CYS   7   4.926   3.011  -0.102
   29   2HB   CYS   7           HB1      CYS   7   4.672   2.702  -1.819
   30    H    THR   8           HN       THR   8   8.768   3.933  -0.264
   31    HA   THR   8           HA       THR   8   9.702   1.859   1.520
   32    HB   THR   8           HB       THR   8  11.153   3.706   2.442
   33    HG1  THR   8           HG1      THR   8  11.015   5.684   1.226
   34   1HG2  THR   8          HG22      THR   8  11.671   2.305   0.366
   35   2HG2  THR   8          HG21      THR   8  11.134   3.694  -0.579
   36   3HG2  THR   8          HG23      THR   8  12.524   3.844   0.496
   37    H    ASN   9           HN       ASN   9   7.153   4.094   1.707
   38    HA   ASN   9           HA       ASN   9   6.905   3.568   4.634
   39   1HB   ASN   9           HB2      ASN   9   7.188   6.133   3.292
   40   2HB   ASN   9           HB1      ASN   9   5.661   6.039   4.171
   41   1HD2  ASN   9          HD22      ASN   9   7.294   6.650   7.216
   42   2HD2  ASN   9          HD21      ASN   9   5.926   6.877   6.237
   43    HA   PRO  10           HA       PRO  10   2.719   2.581   3.742
   44   1HB   PRO  10           HB2      PRO  10   1.413   3.649   5.910
   45   2HB   PRO  10           HB1      PRO  10   2.412   2.188   5.994
   46   1HG   PRO  10           HG2      PRO  10   3.020   4.941   6.965
   47   2HG   PRO  10           HG1      PRO  10   3.644   3.386   7.541
   48   1HD   PRO  10           HD2      PRO  10   5.020   5.205   5.865
   49   2HD   PRO  10           HD1      PRO  10   5.480   3.516   6.175
   50    H    LYS  11           HN       LYS  11   3.353   5.972   4.477
   51    HA   LYS  11           HA       LYS  11   0.873   7.130   3.832
   52   1HB   LYS  11           HB2      LYS  11   3.709   8.050   3.719
   53   2HB   LYS  11           HB1      LYS  11   2.497   9.031   2.893
   54   1HG   LYS  11           HG2      LYS  11   2.420   8.175   5.803
   55   2HG   LYS  11           HG1      LYS  11   2.741   9.803   5.205
   56   1HD   LYS  11           HD2      LYS  11   0.362   9.116   3.947
   57   2HD   LYS  11           HD1      LYS  11   0.186   8.427   5.561
   58   1HE   LYS  11           HE2      LYS  11   0.671  10.575   6.589
   59   2HE   LYS  11           HE1      LYS  11   1.027  11.288   5.015
   60   1HZ   LYS  11           HZ1      LYS  11  -1.534  10.028   5.072
   61   2HZ   LYS  11           HZ3      LYS  11  -1.407  11.239   6.253
   62   3HZ   LYS  11           HZ2      LYS  11  -1.119  11.612   4.621
   63    H    GLN  12           HN       GLN  12   3.032   5.454   1.741
   64    HA   GLN  12           HA       GLN  12   2.075   6.781  -0.701
   65   1HB   GLN  12           HB2      GLN  12   4.164   4.878   0.014
   66   2HB   GLN  12           HB1      GLN  12   3.280   4.358  -1.422
   67   1HG   GLN  12           HG2      GLN  12   3.968   7.237  -1.335
   68   2HG   GLN  12           HG1      GLN  12   5.338   6.136  -1.490
   69   1HE2  GLN  12          HE22      GLN  12   2.495   6.052  -4.474
   70   2HE2  GLN  12          HE21      GLN  12   2.011   6.421  -2.891
   71    H    CYS  13           HN       CYS  13   1.644   3.628   0.903
   72    HA   CYS  13           HA       CYS  13  -0.377   2.800  -1.053
   73   1HB   CYS  13           HB2      CYS  13   0.565   1.560   1.549
   74   2HB   CYS  13           HB1      CYS  13  -0.609   0.816   0.464
   75    H    TYR  14           HN       TYR  14  -0.381   4.836   1.617
   76    HA   TYR  14           HA       TYR  14  -2.894   4.113   2.800
   77   1HB   TYR  14           HB2      TYR  14  -0.941   6.300   3.027
   78   2HB   TYR  14           HB1      TYR  14  -2.606   6.797   3.310
   79    HD1  TYR  14           HD1      TYR  14  -3.909   4.630   4.609
   80    HD2  TYR  14           HD2      TYR  14   0.171   5.906   5.025
   81    HE1  TYR  14           HE1      TYR  14  -3.814   3.598   6.862
   82    HE2  TYR  14           HE2      TYR  14   0.267   4.877   7.277
   83    HH   TYR  14           HH       TYR  14  -1.586   2.651   8.357
   84    HA   PRO  15           HA       PRO  15  -4.646   7.445  -0.125
   85   1HB   PRO  15           HB2      PRO  15  -2.905   8.477  -1.998
   86   2HB   PRO  15           HB1      PRO  15  -3.238   9.229  -0.426
   87   1HG   PRO  15           HG2      PRO  15  -0.799   7.820  -1.346
   88   2HG   PRO  15           HG1      PRO  15  -1.009   8.923   0.016
   89   1HD   PRO  15           HD2      PRO  15  -0.834   6.071   0.162
   90   2HD   PRO  15           HD1      PRO  15  -1.197   7.199   1.482
   91    H    HIS  16           HN       HIS  16  -2.064   5.593  -1.767
   92    HA   HIS  16           HA       HIS  16  -3.415   5.175  -4.225
   93   1HB   HIS  16           HB2      HIS  16  -1.023   4.612  -3.844
   94   2HB   HIS  16           HB1      HIS  16  -1.521   3.274  -2.807
   95    HD1  HIS  16           HD1      HIS  16  -2.935   4.356  -6.180
   96    HD2  HIS  16           HD2      HIS  16  -1.124   1.046  -4.406
   97    HE1  HIS  16           HE1      HIS  16  -2.973   2.506  -7.910
   98    H    CYS  17           HN       CYS  17  -3.362   3.146  -1.282
   99    HA   CYS  17           HA       CYS  17  -5.291   1.255  -2.336
  100   1HB   CYS  17           HB2      CYS  17  -4.468   1.817   0.530
  101   2HB   CYS  17           HB1      CYS  17  -5.367   0.403  -0.020
  102    H    LYS  18           HN       LYS  18  -5.485   4.291  -0.620
  103    HA   LYS  18           HA       LYS  18  -8.039   4.145   0.534
  104   1HB   LYS  18           HB2      LYS  18  -6.552   6.086   0.809
  105   2HB   LYS  18           HB1      LYS  18  -6.779   6.509  -0.888
  106   1HG   LYS  18           HG2      LYS  18  -9.317   6.513  -0.311
  107   2HG   LYS  18           HG1      LYS  18  -8.774   6.629   1.363
  108   1HD   LYS  18           HD2      LYS  18  -8.330   8.820   1.115
  109   2HD   LYS  18           HD1      LYS  18  -7.286   8.485  -0.266
  110   1HE   LYS  18           HE2      LYS  18  -8.844   9.534  -1.525
  111   2HE   LYS  18           HE1      LYS  18  -9.844   8.101  -1.284
  112   1HZ   LYS  18           HZ2      LYS  18  -9.844  10.060   0.867
  113   2HZ   LYS  18           HZ1      LYS  18 -10.613  10.529  -0.574
  114   3HZ   LYS  18           HZ3      LYS  18 -11.122   9.132   0.240
  115    H    LYS  19           HN       LYS  19  -7.154   4.408  -2.853
  116    HA   LYS  19           HA       LYS  19 -10.075   4.439  -3.507
  117   1HB   LYS  19           HB2      LYS  19  -9.280   5.489  -5.716
  118   2HB   LYS  19           HB1      LYS  19  -9.242   6.520  -4.285
  119   1HG   LYS  19           HG2      LYS  19  -6.828   5.875  -3.975
  120   2HG   LYS  19           HG1      LYS  19  -6.907   5.043  -5.529
  121   1HD   LYS  19           HD2      LYS  19  -6.271   7.052  -6.387
  122   2HD   LYS  19           HD1      LYS  19  -7.967   7.483  -6.173
  123   1HE   LYS  19           HE2      LYS  19  -7.553   8.756  -4.295
  124   2HE   LYS  19           HE1      LYS  19  -6.159   7.787  -3.818
  125   1HZ   LYS  19           HZ1      LYS  19  -5.802   9.120  -6.333
  126   2HZ   LYS  19           HZ3      LYS  19  -6.057  10.200  -5.049
  127   3HZ   LYS  19           HZ2      LYS  19  -4.784   9.078  -4.972
  128    H    GLU  20           HN       GLU  20  -7.563   2.410  -3.346
  129    HA   GLU  20           HA       GLU  20  -7.924   1.185  -5.993
  130   1HB   GLU  20           HB2      GLU  20  -5.785   0.536  -5.692
  131   2HB   GLU  20           HB1      GLU  20  -5.788   1.341  -4.132
  132   1HG   GLU  20           HG2      GLU  20  -6.194  -0.622  -2.968
  133   2HG   GLU  20           HG1      GLU  20  -6.932  -1.429  -4.352
  134    H    THR  21           HN       THR  21  -8.796   0.731  -2.644
  135    HA   THR  21           HA       THR  21 -10.609  -1.465  -3.476
  136    HB   THR  21           HB       THR  21  -9.263  -3.003  -2.503
  137    HG1  THR  21           HG1      THR  21  -9.741  -3.284  -0.442
  138   1HG2  THR  21          HG23      THR  21  -7.760  -0.573  -1.695
  139   2HG2  THR  21          HG22      THR  21  -7.501  -1.996  -0.692
  140   3HG2  THR  21          HG21      THR  21  -7.183  -2.072  -2.421
  141    H    GLY  22           HN       GLY  22 -10.497   1.478  -2.312
  142   1HA   GLY  22           HA2      GLY  22 -12.196   2.687  -1.204
  143   2HA   GLY  22           HA1      GLY  22 -12.939   1.156  -0.753
  144    H    TYR  23           HN       TYR  23  -9.940   0.540   0.142
  145    HA   TYR  23           HA       TYR  23 -10.278   1.813   2.824
  146   1HB   TYR  23           HB2      TYR  23  -8.787  -0.764   2.329
  147   2HB   TYR  23           HB1      TYR  23  -9.445  -0.153   3.847
  148    HD1  TYR  23           HD1      TYR  23 -12.120   0.470   3.563
  149    HD2  TYR  23           HD2      TYR  23  -9.952  -2.559   1.424
  150    HE1  TYR  23           HE1      TYR  23 -14.239  -0.747   3.139
  151    HE2  TYR  23           HE2      TYR  23 -12.071  -3.775   0.999
  152    HH   TYR  23           HH       TYR  23 -14.965  -2.531   1.138
  153    HA   PRO  24           HA       PRO  24  -6.340   3.595   1.738
  154   1HB   PRO  24           HB2      PRO  24  -6.067   5.057   4.051
  155   2HB   PRO  24           HB1      PRO  24  -7.090   5.553   2.692
  156   1HG   PRO  24           HG2      PRO  24  -7.895   4.435   5.335
  157   2HG   PRO  24           HG1      PRO  24  -8.805   5.485   4.237
  158   1HD   PRO  24           HD2      PRO  24  -9.166   2.693   4.540
  159   2HD   PRO  24           HD1      PRO  24  -9.829   3.697   3.233
  160    H    ASN  25           HN       ASN  25  -7.014   1.899   4.765
  161    HA   ASN  25           HA       ASN  25  -4.497   1.719   5.943
  162   1HB   ASN  25           HB2      ASN  25  -6.585  -0.451   5.589
  163   2HB   ASN  25           HB1      ASN  25  -5.184  -0.608   6.649
  164   1HD2  ASN  25          HD22      ASN  25  -6.410   1.838   9.006
  165   2HD2  ASN  25          HD21      ASN  25  -4.971   1.235   8.339
  166    H    ALA  26           HN       ALA  26  -2.548   0.876   5.299
  167    HA   ALA  26           HA       ALA  26  -2.333  -1.396   3.528
  168   1HB   ALA  26           HB2      ALA  26  -2.998   0.664   2.045
  169   2HB   ALA  26           HB1      ALA  26  -1.315   1.137   2.273
  170   3HB   ALA  26           HB3      ALA  26  -1.702  -0.404   1.508
  171    H    LYS  27           HN       LYS  27  -0.166  -2.121   3.375
  172    HA   LYS  27           HA       LYS  27   1.883  -0.468   4.775
  173   1HB   LYS  27           HB2      LYS  27   1.210  -3.381   5.274
  174   2HB   LYS  27           HB1      LYS  27   2.711  -2.631   5.816
  175   1HG   LYS  27           HG2      LYS  27   1.559  -1.117   7.249
  176   2HG   LYS  27           HG1      LYS  27   0.002  -1.479   6.502
  177   1HD   LYS  27           HD2      LYS  27  -0.235  -2.874   8.294
  178   2HD   LYS  27           HD1      LYS  27   0.736  -3.966   7.308
  179   1HE   LYS  27           HE2      LYS  27   1.924  -3.963   9.320
  180   2HE   LYS  27           HE1      LYS  27   2.765  -2.712   8.405
  181   1HZ   LYS  27           HZ3      LYS  27   0.461  -1.978  10.074
  182   2HZ   LYS  27           HZ2      LYS  27   1.970  -2.241  10.810
  183   3HZ   LYS  27           HZ1      LYS  27   1.799  -1.042   9.618
  184    H    CYS  28           HN       CYS  28   4.107  -1.090   4.155
  185    HA   CYS  28           HA       CYS  28   4.146  -2.223   1.399
  186   1HB   CYS  28           HB2      CYS  28   6.183  -0.522   2.868
  187   2HB   CYS  28           HB1      CYS  28   6.351  -1.095   1.209
  188    H    MET  29           HN       MET  29   5.834  -3.748   0.839
  189    HA   MET  29           HA       MET  29   7.129  -5.094   3.168
  190   1HB   MET  29           HB2      MET  29   5.017  -6.148   1.533
  191   2HB   MET  29           HB1      MET  29   6.488  -7.070   1.220
  192   1HG   MET  29           HG2      MET  29   6.554  -6.788   3.959
  193   2HG   MET  29           HG1      MET  29   4.828  -6.961   3.645
  194   1HE   MET  29           HE2      MET  29   3.697  -8.596   3.363
  195   2HE   MET  29           HE1      MET  29   4.046 -10.236   2.822
  196   3HE   MET  29           HE3      MET  29   4.367  -9.766   4.497
  197    H    ASN  30           HN       ASN  30   9.200  -4.367   2.634
  198    HA   ASN  30           HA       ASN  30  11.130  -4.036   1.311
  199   1HB   ASN  30           HB2      ASN  30  11.797  -6.231   0.161
  200   2HB   ASN  30           HB1      ASN  30  11.525  -6.308   1.902
  201   1HD2  ASN  30          HD22      ASN  30   8.831  -8.561   1.629
  202   2HD2  ASN  30          HD21      ASN  30   9.882  -7.704   2.649
  203    H    ARG  31           HN       ARG  31   9.206  -2.692   0.033
  204    HA   ARG  31           HA       ARG  31   8.871  -1.763  -2.112
  205   1HB   ARG  31           HB2      ARG  31  11.177  -3.186  -2.486
  206   2HB   ARG  31           HB1      ARG  31  10.087  -4.008  -3.602
  207   1HG   ARG  31           HG2      ARG  31   9.990  -2.228  -5.005
  208   2HG   ARG  31           HG1      ARG  31   9.871  -1.073  -3.676
  209   1HD   ARG  31           HD2      ARG  31  12.096  -0.664  -3.695
  210   2HD   ARG  31           HD1      ARG  31  12.491  -2.377  -3.818
  211    HE   ARG  31           HE       ARG  31  11.861  -2.063  -6.320
  212   1HH1  ARG  31          HH11      ARG  31  11.532   0.967  -5.480
  213   2HH1  ARG  31          HH12      ARG  31  12.962   1.613  -6.215
  214   1HH2  ARG  31          HH21      ARG  31  14.408  -1.494  -6.746
  215   2HH2  ARG  31          HH22      ARG  31  14.590   0.218  -6.933
  216    H    LYS  32           HN       LYS  32   7.131  -3.713  -0.744
  217    HA   LYS  32           HA       LYS  32   5.639  -4.647  -3.156
  218   1HB   LYS  32           HB2      LYS  32   6.737  -6.618  -2.210
  219   2HB   LYS  32           HB1      LYS  32   6.108  -6.227  -0.609
  220   1HG   LYS  32           HG2      LYS  32   3.774  -6.313  -1.707
  221   2HG   LYS  32           HG1      LYS  32   4.580  -7.132  -3.047
  222   1HD   LYS  32           HD2      LYS  32   5.478  -8.808  -1.427
  223   2HD   LYS  32           HD1      LYS  32   4.545  -8.027  -0.150
  224   1HE   LYS  32           HE2      LYS  32   3.213  -9.862  -0.932
  225   2HE   LYS  32           HE1      LYS  32   2.482  -8.399  -1.590
  226   1HZ   LYS  32           HZ1      LYS  32   4.520  -9.878  -3.123
  227   2HZ   LYS  32           HZ3      LYS  32   2.899 -10.375  -3.149
  228   3HZ   LYS  32           HZ2      LYS  32   3.317  -8.819  -3.688
  229    H    CYS  33           HN       CYS  33   4.299  -2.757  -2.829
  230    HA   CYS  33           HA       CYS  33   3.048  -1.940  -0.464
  231   1HB   CYS  33           HB2      CYS  33   2.854  -0.769  -2.657
  232   2HB   CYS  33           HB1      CYS  33   1.768  -2.043  -3.213
  233    H    LYS  34           HN       LYS  34   0.861  -2.404   0.361
  234    HA   LYS  34           HA       LYS  34  -0.470  -4.856  -0.547
  235   1HB   LYS  34           HB2      LYS  34   1.362  -5.701   0.926
  236   2HB   LYS  34           HB1      LYS  34   0.708  -4.729   2.245
  237   1HG   LYS  34           HG2      LYS  34  -0.638  -6.466   2.741
  238   2HG   LYS  34           HG1      LYS  34  -1.496  -6.138   1.235
  239   1HD   LYS  34           HD2      LYS  34  -0.565  -7.918   0.174
  240   2HD   LYS  34           HD1      LYS  34   1.022  -7.627   0.886
  241   1HE   LYS  34           HE2      LYS  34  -0.977  -8.486   2.852
  242   2HE   LYS  34           HE1      LYS  34  -0.687  -9.684   1.591
  243   1HZ   LYS  34           HZ3      LYS  34   1.780  -8.627   2.344
  244   2HZ   LYS  34           HZ2      LYS  34   0.945  -9.016   3.773
  245   3HZ   LYS  34           HZ1      LYS  34   1.202 -10.204   2.586
  246    H    CYS  35           HN       CYS  35  -2.355  -3.610  -0.763
  247    HA   CYS  35           HA       CYS  35  -3.280  -1.772   1.248
  248   1HB   CYS  35           HB2      CYS  35  -4.932  -3.222  -0.839
  249   2HB   CYS  35           HB1      CYS  35  -5.351  -1.719  -0.015
  250    H    PHE  36           HN       PHE  36  -5.383  -2.108   2.441
  251    HA   PHE  36           HA       PHE  36  -5.261  -4.685   3.864
  252   1HB   PHE  36           HB2      PHE  36  -6.461  -2.005   4.334
  253   2HB   PHE  36           HB1      PHE  36  -7.290  -3.380   5.065
  254    HD1  PHE  36           HD1      PHE  36  -3.717  -2.349   4.501
  255    HD2  PHE  36           HD2      PHE  36  -6.663  -3.827   7.255
  256    HE1  PHE  36           HE1      PHE  36  -1.999  -2.445   6.287
  257    HE2  PHE  36           HE2      PHE  36  -4.945  -3.923   9.041
  258    HZ   PHE  36           HZ       PHE  36  -2.612  -3.232   8.557
  259    H    GLY  37           HN       GLY  37  -6.122  -5.110   1.260
  260   1HA   GLY  37           HA2      GLY  37  -8.380  -6.679   1.464
  261   2HA   GLY  37           HA1      GLY  37  -9.036  -5.076   1.123
  262    H    ARG  38           HN       ARG  38  -7.707  -3.942  -0.749
  263    HA   ARG  38           HA       ARG  38  -7.238  -3.946  -3.046
  264   1HB   ARG  38           HB2      ARG  38  -5.216  -5.109  -2.481
  265   2HB   ARG  38           HB1      ARG  38  -6.087  -6.619  -2.214
  266   1HG   ARG  38           HG2      ARG  38  -6.413  -5.376  -4.891
  267   2HG   ARG  38           HG1      ARG  38  -4.823  -6.053  -4.533
  268   1HD   ARG  38           HD2      ARG  38  -6.390  -8.054  -3.602
  269   2HD   ARG  38           HD1      ARG  38  -7.431  -7.430  -4.882
  270    HE   ARG  38           HE       ARG  38  -4.726  -8.600  -5.279
  271   1HH1  ARG  38          HH21      ARG  38  -7.875  -8.565  -6.347
  272   2HH1  ARG  38          HH22      ARG  38  -7.503  -8.458  -8.035
  273   1HH2  ARG  38          HH11      ARG  38  -4.123  -7.876  -7.523
  274   2HH2  ARG  38          HH12      ARG  38  -5.379  -8.066  -8.702
   
  No H/Q in entry =         274
  Start of MODEL   19
    1   1H    THR   4           HT3      THR   4   4.043  -2.129 -10.035
    2   2H    THR   4           HT2      THR   4   5.512  -2.906 -10.390
    3   3H    THR   4           HT1      THR   4   4.152  -3.818  -9.939
    4    HA   THR   4           HA       THR   4   4.212  -3.019  -7.728
    5    HB   THR   4           HB       THR   4   6.916  -3.381  -7.425
    6    HG1  THR   4           HG1      THR   4   7.576  -3.740  -9.400
    7   1HG2  THR   4          HG23      THR   4   4.765  -5.452  -7.937
    8   2HG2  THR   4          HG22      THR   4   6.333  -5.800  -7.211
    9   3HG2  THR   4          HG21      THR   4   5.191  -4.743  -6.380
   10    H    ILE   5           HN       ILE   5   4.711  -1.356  -6.299
   11    HA   ILE   5           HA       ILE   5   6.122   0.982  -7.506
   12    HB   ILE   5           HB       ILE   5   4.560   1.263  -4.982
   13   1HG1  ILE   5          HG12      ILE   5   3.194   1.073  -7.682
   14   2HG1  ILE   5          HG11      ILE   5   3.195  -0.241  -6.505
   15   1HG2  ILE   5          HG21      ILE   5   5.742   2.941  -6.892
   16   2HG2  ILE   5          HG23      ILE   5   4.007   3.088  -7.172
   17   3HG2  ILE   5          HG22      ILE   5   4.675   3.432  -5.577
   18   1HD1  ILE   5          HD12      ILE   5   2.317   2.528  -5.703
   19   2HD1  ILE   5          HD11      ILE   5   1.190   1.421  -6.489
   20   3HD1  ILE   5          HD13      ILE   5   1.924   0.983  -4.948
   21    H    SER   6           HN       SER   6   7.136   2.395  -5.619
   22    HA   SER   6           HA       SER   6   8.661   0.541  -3.829
   23   1HB   SER   6           HB2      SER   6   9.681   3.131  -5.028
   24   2HB   SER   6           HB1      SER   6  10.606   1.957  -4.099
   25    HG   SER   6           HG       SER   6  10.967   1.026  -5.939
   26    H    CYS   7           HN       CYS   7   6.693   1.159  -2.432
   27    HA   CYS   7           HA       CYS   7   6.747   3.904  -1.398
   28   1HB   CYS   7           HB2      CYS   7   4.623   3.475  -0.770
   29   2HB   CYS   7           HB1      CYS   7   4.773   1.958  -1.640
   30    H    THR   8           HN       THR   8   7.947   4.544   0.307
   31    HA   THR   8           HA       THR   8   9.349   2.468   1.900
   32    HB   THR   8           HB       THR   8  10.912   4.121   2.458
   33    HG1  THR   8           HG1      THR   8   8.699   5.789   2.186
   34   1HG2  THR   8          HG22      THR   8  10.184   3.864  -0.205
   35   2HG2  THR   8          HG21      THR   8  10.251   5.612   0.029
   36   3HG2  THR   8          HG23      THR   8  11.664   4.617   0.387
   37    H    ASN   9           HN       ASN   9   6.419   3.700   2.045
   38    HA   ASN   9           HA       ASN   9   6.129   3.325   4.894
   39   1HB   ASN   9           HB2      ASN   9   6.274   6.104   3.774
   40   2HB   ASN   9           HB1      ASN   9   5.142   5.774   5.086
   41   1HD2  ASN   9          HD22      ASN   9   7.999   4.645   7.217
   42   2HD2  ASN   9          HD21      ASN   9   6.585   3.915   6.626
   43    HA   PRO  10           HA       PRO  10   1.991   2.685   3.583
   44   1HB   PRO  10           HB2      PRO  10   0.626   3.329   5.876
   45   2HB   PRO  10           HB1      PRO  10   1.552   1.831   5.676
   46   1HG   PRO  10           HG2      PRO  10   2.221   4.267   7.257
   47   2HG   PRO  10           HG1      PRO  10   2.756   2.594   7.493
   48   1HD   PRO  10           HD2      PRO  10   4.279   4.672   6.321
   49   2HD   PRO  10           HD1      PRO  10   4.661   2.938   6.265
   50    H    LYS  11           HN       LYS  11   2.792   5.813   4.910
   51    HA   LYS  11           HA       LYS  11   0.402   7.238   4.601
   52   1HB   LYS  11           HB2      LYS  11   3.012   7.903   5.189
   53   2HB   LYS  11           HB1      LYS  11   2.754   8.715   3.645
   54   1HG   LYS  11           HG2      LYS  11   1.842  10.346   4.958
   55   2HG   LYS  11           HG1      LYS  11   0.417   9.308   4.897
   56   1HD   LYS  11           HD2      LYS  11   1.261   8.150   6.967
   57   2HD   LYS  11           HD1      LYS  11   2.531   9.371   7.066
   58   1HE   LYS  11           HE2      LYS  11   1.001  10.487   8.338
   59   2HE   LYS  11           HE1      LYS  11   0.348  10.963   6.771
   60   1HZ   LYS  11           HZ3      LYS  11  -0.635   8.418   7.434
   61   2HZ   LYS  11           HZ2      LYS  11  -0.891   9.451   8.759
   62   3HZ   LYS  11           HZ1      LYS  11  -1.500   9.863   7.228
   63    H    GLN  12           HN       GLN  12   2.894   6.598   2.119
   64    HA   GLN  12           HA       GLN  12   1.317   7.939   0.057
   65   1HB   GLN  12           HB2      GLN  12   3.006   7.069  -1.506
   66   2HB   GLN  12           HB1      GLN  12   3.781   7.807  -0.105
   67   1HG   GLN  12           HG2      GLN  12   3.811   5.445   0.910
   68   2HG   GLN  12           HG1      GLN  12   3.435   4.873  -0.716
   69   1HE2  GLN  12          HE22      GLN  12   6.639   5.872  -2.055
   70   2HE2  GLN  12          HE21      GLN  12   5.005   5.707  -2.486
   71    H    CYS  13           HN       CYS  13   1.625   4.690   1.307
   72    HA   CYS  13           HA       CYS  13   0.157   3.476  -0.919
   73   1HB   CYS  13           HB2      CYS  13   1.283   2.529   1.692
   74   2HB   CYS  13           HB1      CYS  13   0.014   1.570   0.928
   75    H    TYR  14           HN       TYR  14  -0.687   5.424   1.674
   76    HA   TYR  14           HA       TYR  14  -3.136   4.198   2.512
   77   1HB   TYR  14           HB2      TYR  14  -1.749   6.777   2.869
   78   2HB   TYR  14           HB1      TYR  14  -3.503   6.869   2.961
   79    HD1  TYR  14           HD2      TYR  14  -1.834   3.734   3.806
   80    HD2  TYR  14           HD1      TYR  14  -3.350   7.430   5.385
   81    HE1  TYR  14           HE2      TYR  14  -1.722   2.799   6.098
   82    HE2  TYR  14           HE1      TYR  14  -3.235   6.496   7.678
   83    HH   TYR  14           HH       TYR  14  -1.484   3.977   8.551
   84    HA   PRO  15           HA       PRO  15  -5.111   7.097  -0.743
   85   1HB   PRO  15           HB2      PRO  15  -3.351   8.396  -2.430
   86   2HB   PRO  15           HB1      PRO  15  -4.055   9.117  -0.969
   87   1HG   PRO  15           HG2      PRO  15  -1.280   8.162  -1.445
   88   2HG   PRO  15           HG1      PRO  15  -1.885   9.296  -0.236
   89   1HD   PRO  15           HD2      PRO  15  -1.191   6.594   0.249
   90   2HD   PRO  15           HD1      PRO  15  -2.057   7.679   1.349
   91    H    HIS  16           HN       HIS  16  -2.021   5.729  -1.950
   92    HA   HIS  16           HA       HIS  16  -2.892   4.992  -4.527
   93   1HB   HIS  16           HB2      HIS  16  -0.559   4.695  -3.916
   94   2HB   HIS  16           HB1      HIS  16  -0.996   3.547  -2.649
   95    HD1  HIS  16           HD1      HIS  16  -2.482   3.571  -6.128
   96    HD2  HIS  16           HD2      HIS  16   0.095   1.241  -3.824
   97    HE1  HIS  16           HE1      HIS  16  -2.071   1.445  -7.442
   98    H    CYS  17           HN       CYS  17  -3.131   3.186  -1.466
   99    HA   CYS  17           HA       CYS  17  -4.661   1.022  -2.669
  100   1HB   CYS  17           HB2      CYS  17  -3.857   1.802   0.112
  101   2HB   CYS  17           HB1      CYS  17  -5.164   0.639  -0.095
  102    H    LYS  18           HN       LYS  18  -5.377   4.138  -1.325
  103    HA   LYS  18           HA       LYS  18  -8.053   3.788  -0.487
  104   1HB   LYS  18           HB2      LYS  18  -6.863   5.889  -0.121
  105   2HB   LYS  18           HB1      LYS  18  -6.761   6.164  -1.860
  106   1HG   LYS  18           HG2      LYS  18  -8.998   6.712  -2.049
  107   2HG   LYS  18           HG1      LYS  18  -9.467   5.710  -0.675
  108   1HD   LYS  18           HD2      LYS  18  -9.174   7.403   0.802
  109   2HD   LYS  18           HD1      LYS  18  -7.655   7.902   0.054
  110   1HE   LYS  18           HE2      LYS  18 -10.122   8.423  -1.519
  111   2HE   LYS  18           HE1      LYS  18  -9.904   9.398  -0.066
  112   1HZ   LYS  18           HZ2      LYS  18  -7.633   9.905  -0.875
  113   2HZ   LYS  18           HZ1      LYS  18  -8.011   9.117  -2.332
  114   3HZ   LYS  18           HZ3      LYS  18  -8.865  10.510  -1.876
  115    H    LYS  19           HN       LYS  19  -6.666   3.633  -3.638
  116    HA   LYS  19           HA       LYS  19  -9.368   3.848  -4.885
  117   1HB   LYS  19           HB2      LYS  19  -7.042   5.040  -5.662
  118   2HB   LYS  19           HB1      LYS  19  -6.987   3.561  -6.620
  119   1HG   LYS  19           HG2      LYS  19  -9.310   4.036  -7.411
  120   2HG   LYS  19           HG1      LYS  19  -9.255   5.572  -6.544
  121   1HD   LYS  19           HD2      LYS  19  -6.893   5.571  -8.011
  122   2HD   LYS  19           HD1      LYS  19  -8.066   4.852  -9.115
  123   1HE   LYS  19           HE2      LYS  19  -9.616   6.774  -8.581
  124   2HE   LYS  19           HE1      LYS  19  -8.282   7.522  -7.702
  125   1HZ   LYS  19           HZ3      LYS  19  -7.047   6.996  -9.953
  126   2HZ   LYS  19           HZ2      LYS  19  -8.625   7.113 -10.574
  127   3HZ   LYS  19           HZ1      LYS  19  -7.938   8.423  -9.737
  128    H    GLU  20           HN       GLU  20  -6.748   1.660  -4.178
  129    HA   GLU  20           HA       GLU  20  -7.437  -0.377  -6.080
  130   1HB   GLU  20           HB2      GLU  20  -5.742  -0.193  -3.639
  131   2HB   GLU  20           HB1      GLU  20  -6.271  -1.807  -4.119
  132   1HG   GLU  20           HG2      GLU  20  -5.206  -0.004  -6.250
  133   2HG   GLU  20           HG1      GLU  20  -4.051  -0.720  -5.126
  134    H    THR  21           HN       THR  21  -7.996  -0.272  -2.540
  135    HA   THR  21           HA       THR  21 -10.430  -1.944  -3.028
  136    HB   THR  21           HB       THR  21  -8.859  -3.189  -1.682
  137    HG1  THR  21           HG1      THR  21 -11.205  -2.727  -0.965
  138   1HG2  THR  21          HG23      THR  21  -8.291  -0.544  -0.611
  139   2HG2  THR  21          HG22      THR  21  -8.539  -1.723   0.677
  140   3HG2  THR  21          HG21      THR  21  -7.309  -2.008  -0.552
  141    H    GLY  22           HN       GLY  22  -9.241   1.061  -1.893
  142   1HA   GLY  22           HA2      GLY  22 -10.886   2.878  -1.639
  143   2HA   GLY  22           HA1      GLY  22 -11.946   1.707  -0.864
  144    H    TYR  23           HN       TYR  23  -9.716   0.528   0.697
  145    HA   TYR  23           HA       TYR  23  -9.675   2.592   2.823
  146   1HB   TYR  23           HB2      TYR  23  -9.155  -0.385   2.789
  147   2HB   TYR  23           HB1      TYR  23  -8.788   0.616   4.195
  148    HD1  TYR  23           HD2      TYR  23 -11.529  -0.386   1.871
  149    HD2  TYR  23           HD1      TYR  23 -10.496   1.324   5.672
  150    HE1  TYR  23           HE2      TYR  23 -13.913  -0.459   2.553
  151    HE2  TYR  23           HE1      TYR  23 -12.880   1.251   6.355
  152    HH   TYR  23           HH       TYR  23 -15.317   1.112   4.494
  153    HA   PRO  24           HA       PRO  24  -5.391   3.374   2.038
  154   1HB   PRO  24           HB2      PRO  24  -4.910   4.820   4.327
  155   2HB   PRO  24           HB1      PRO  24  -5.768   5.473   2.919
  156   1HG   PRO  24           HG2      PRO  24  -6.866   4.622   5.556
  157   2HG   PRO  24           HG1      PRO  24  -7.514   5.794   4.396
  158   1HD   PRO  24           HD2      PRO  24  -8.419   3.129   4.761
  159   2HD   PRO  24           HD1      PRO  24  -8.849   4.210   3.418
  160    H    ASN  25           HN       ASN  25  -6.613   1.606   4.737
  161    HA   ASN  25           HA       ASN  25  -4.220   1.078   6.181
  162   1HB   ASN  25           HB2      ASN  25  -6.877   0.320   6.391
  163   2HB   ASN  25           HB1      ASN  25  -6.058  -1.198   6.020
  164   1HD2  ASN  25          HD22      ASN  25  -5.533  -1.287   9.556
  165   2HD2  ASN  25          HD21      ASN  25  -6.502  -1.881   8.295
  166    H    ALA  26           HN       ALA  26  -2.439   0.519   4.922
  167    HA   ALA  26           HA       ALA  26  -2.551  -2.151   3.651
  168   1HB   ALA  26           HB2      ALA  26  -3.012  -0.170   1.970
  169   2HB   ALA  26           HB1      ALA  26  -1.267   0.064   2.083
  170   3HB   ALA  26           HB3      ALA  26  -1.916  -1.475   1.513
  171    H    LYS  27           HN       LYS  27  -0.206  -2.707   2.870
  172    HA   LYS  27           HA       LYS  27   1.847  -1.368   4.545
  173   1HB   LYS  27           HB2      LYS  27   1.234  -4.338   4.613
  174   2HB   LYS  27           HB1      LYS  27   2.656  -3.593   5.347
  175   1HG   LYS  27           HG2      LYS  27   1.263  -2.260   6.822
  176   2HG   LYS  27           HG1      LYS  27  -0.200  -2.831   6.020
  177   1HD   LYS  27           HD2      LYS  27  -0.117  -4.243   7.872
  178   2HD   LYS  27           HD1      LYS  27   0.729  -5.210   6.663
  179   1HE   LYS  27           HE2      LYS  27   2.894  -4.240   7.501
  180   2HE   LYS  27           HE1      LYS  27   1.985  -3.472   8.805
  181   1HZ   LYS  27           HZ1      LYS  27   1.889  -6.386   8.274
  182   2HZ   LYS  27           HZ3      LYS  27   3.000  -5.683   9.344
  183   3HZ   LYS  27           HZ2      LYS  27   1.335  -5.558   9.650
  184    H    CYS  28           HN       CYS  28   4.027  -1.801   3.785
  185    HA   CYS  28           HA       CYS  28   4.061  -2.707   0.940
  186   1HB   CYS  28           HB2      CYS  28   5.457  -0.590   2.454
  187   2HB   CYS  28           HB1      CYS  28   6.484  -1.502   1.347
  188    H    MET  29           HN       MET  29   4.496  -4.912   1.081
  189    HA   MET  29           HA       MET  29   6.532  -5.893   2.962
  190   1HB   MET  29           HB2      MET  29   4.977  -7.318   0.777
  191   2HB   MET  29           HB1      MET  29   6.019  -8.107   1.963
  192   1HG   MET  29           HG2      MET  29   4.581  -6.993   3.759
  193   2HG   MET  29           HG1      MET  29   3.450  -6.593   2.467
  194   1HE   MET  29           HE2      MET  29   1.871  -7.818   1.563
  195   2HE   MET  29           HE1      MET  29   2.858  -8.893   0.576
  196   3HE   MET  29           HE3      MET  29   1.583  -9.556   1.605
  197    H    ASN  30           HN       ASN  30   8.664  -6.144   2.448
  198    HA   ASN  30           HA       ASN  30  10.620  -5.801   1.168
  199   1HB   ASN  30           HB2      ASN  30  10.264  -7.290  -1.091
  200   2HB   ASN  30           HB1      ASN  30  10.692  -7.974   0.476
  201   1HD2  ASN  30          HD22      ASN  30   7.197  -8.997  -1.185
  202   2HD2  ASN  30          HD21      ASN  30   8.436  -8.206  -2.031
  203    H    ARG  31           HN       ARG  31   9.219  -3.559   0.837
  204    HA   ARG  31           HA       ARG  31   8.837  -1.770  -0.633
  205   1HB   ARG  31           HB2      ARG  31  10.727  -3.469  -2.282
  206   2HB   ARG  31           HB1      ARG  31  10.172  -1.874  -2.794
  207   1HG   ARG  31           HG2      ARG  31  10.989  -1.051  -0.488
  208   2HG   ARG  31           HG1      ARG  31  11.853  -2.585  -0.389
  209   1HD   ARG  31           HD2      ARG  31  13.410  -1.045  -1.328
  210   2HD   ARG  31           HD1      ARG  31  12.835  -2.015  -2.684
  211    HE   ARG  31           HE       ARG  31  11.113   0.100  -2.752
  212   1HH1  ARG  31          HH11      ARG  31  13.396   1.491  -1.207
  213   2HH1  ARG  31          HH12      ARG  31  14.225   2.275  -2.510
  214   1HH2  ARG  31          HH21      ARG  31  12.671   0.397  -4.978
  215   2HH2  ARG  31          HH22      ARG  31  13.814   1.656  -4.646
  216    H    LYS  32           HN       LYS  32   6.821  -3.723  -0.558
  217    HA   LYS  32           HA       LYS  32   5.837  -3.577  -3.371
  218   1HB   LYS  32           HB2      LYS  32   6.687  -5.929  -2.379
  219   2HB   LYS  32           HB1      LYS  32   5.042  -5.942  -1.742
  220   1HG   LYS  32           HG2      LYS  32   4.113  -5.653  -3.959
  221   2HG   LYS  32           HG1      LYS  32   5.720  -5.420  -4.649
  222   1HD   LYS  32           HD2      LYS  32   6.328  -7.728  -3.915
  223   2HD   LYS  32           HD1      LYS  32   4.670  -7.954  -3.359
  224   1HE   LYS  32           HE2      LYS  32   4.593  -6.936  -6.036
  225   2HE   LYS  32           HE1      LYS  32   5.691  -8.315  -5.992
  226   1HZ   LYS  32           HZ1      LYS  32   3.744  -9.292  -4.535
  227   2HZ   LYS  32           HZ3      LYS  32   2.824  -8.203  -5.453
  228   3HZ   LYS  32           HZ2      LYS  32   3.737  -9.406  -6.230
  229    H    CYS  33           HN       CYS  33   4.316  -1.977  -3.006
  230    HA   CYS  33           HA       CYS  33   2.751  -1.688  -0.643
  231   1HB   CYS  33           HB2      CYS  33   3.097   0.005  -2.540
  232   2HB   CYS  33           HB1      CYS  33   1.834  -0.871  -3.404
  233    H    LYS  34           HN       LYS  34   0.981  -2.788   0.058
  234    HA   LYS  34           HA       LYS  34  -0.692  -4.258  -1.900
  235   1HB   LYS  34           HB2      LYS  34   1.230  -5.672  -0.655
  236   2HB   LYS  34           HB1      LYS  34  -0.010  -5.735   0.599
  237   1HG   LYS  34           HG2      LYS  34  -0.767  -7.524  -0.601
  238   2HG   LYS  34           HG1      LYS  34  -1.513  -6.278  -1.603
  239   1HD   LYS  34           HD2      LYS  34   1.305  -6.851  -2.263
  240   2HD   LYS  34           HD1      LYS  34   0.198  -8.193  -2.552
  241   1HE   LYS  34           HE2      LYS  34  -0.330  -5.377  -3.529
  242   2HE   LYS  34           HE1      LYS  34   0.474  -6.603  -4.508
  243   1HZ   LYS  34           HZ1      LYS  34  -1.756  -7.839  -3.500
  244   2HZ   LYS  34           HZ3      LYS  34  -2.295  -6.290  -3.934
  245   3HZ   LYS  34           HZ2      LYS  34  -1.540  -7.279  -5.090
  246    H    CYS  35           HN       CYS  35  -2.794  -3.827  -1.433
  247    HA   CYS  35           HA       CYS  35  -3.467  -2.468   1.077
  248   1HB   CYS  35           HB2      CYS  35  -5.491  -3.411  -0.940
  249   2HB   CYS  35           HB1      CYS  35  -5.528  -1.971   0.077
  250    H    PHE  36           HN       PHE  36  -5.377  -3.242   2.376
  251    HA   PHE  36           HA       PHE  36  -5.319  -6.223   2.578
  252   1HB   PHE  36           HB2      PHE  36  -5.577  -4.054   4.654
  253   2HB   PHE  36           HB1      PHE  36  -6.136  -5.694   4.986
  254    HD1  PHE  36           HD1      PHE  36  -3.161  -4.117   3.314
  255    HD2  PHE  36           HD2      PHE  36  -4.613  -7.016   6.131
  256    HE1  PHE  36           HE1      PHE  36  -0.831  -4.815   3.794
  257    HE2  PHE  36           HE2      PHE  36  -2.281  -7.714   6.613
  258    HZ   PHE  36           HZ       PHE  36  -0.389  -6.613   5.443
  259    H    GLY  37           HN       GLY  37  -7.068  -4.696   0.841
  260   1HA   GLY  37           HA2      GLY  37  -9.366  -4.358   0.387
  261   2HA   GLY  37           HA1      GLY  37  -9.483  -5.993   1.033
  262    H    ARG  38           HN       ARG  38  -8.409  -3.353   3.064
  263    HA   ARG  38           HA       ARG  38 -10.706  -2.281   4.136
  264   1HB   ARG  38           HB2      ARG  38 -11.078  -3.864   6.147
  265   2HB   ARG  38           HB1      ARG  38 -11.745  -4.364   4.594
  266   1HG   ARG  38           HG2      ARG  38 -10.046  -5.957   4.240
  267   2HG   ARG  38           HG1      ARG  38  -8.974  -5.208   5.424
  268   1HD   ARG  38           HD2      ARG  38 -10.141  -7.368   6.160
  269   2HD   ARG  38           HD1      ARG  38 -10.282  -5.992   7.254
  270    HE   ARG  38           HE       ARG  38 -12.573  -5.628   6.295
  271   1HH1  ARG  38          HH11      ARG  38 -13.029  -7.092   4.000
  272   2HH1  ARG  38          HH12      ARG  38 -13.560  -8.661   4.505
  273   1HH2  ARG  38          HH21      ARG  38 -12.366  -8.316   7.742
  274   2HH2  ARG  38          HH22      ARG  38 -13.182  -9.355   6.622
   
  No H/Q in entry =         274
  Start of MODEL   20
    1   1H    THR   4           HT1      THR   4   2.479   0.264  -9.913
    2   2H    THR   4           HT3      THR   4   3.558  -0.632 -10.867
    3   3H    THR   4           HT2      THR   4   2.002  -1.235 -10.554
    4    HA   THR   4           HA       THR   4   2.514  -1.933  -8.485
    5    HB   THR   4           HB       THR   4   5.264  -1.764  -9.743
    6    HG1  THR   4           HG1      THR   4   3.104  -3.559 -10.014
    7   1HG2  THR   4          HG23      THR   4   4.481  -2.649  -7.204
    8   2HG2  THR   4          HG22      THR   4   4.652  -4.120  -8.160
    9   3HG2  THR   4          HG21      THR   4   6.007  -3.000  -8.015
   10    H    ILE   5           HN       ILE   5   4.700   0.648  -9.411
   11    HA   ILE   5           HA       ILE   5   5.674   2.378  -8.154
   12    HB   ILE   5           HB       ILE   5   3.461   1.901  -6.155
   13   1HG1  ILE   5          HG12      ILE   5   3.061   3.698  -8.517
   14   2HG1  ILE   5          HG11      ILE   5   2.832   1.965  -8.746
   15   1HG2  ILE   5          HG21      ILE   5   5.099   4.260  -7.088
   16   2HG2  ILE   5          HG23      ILE   5   3.577   4.478  -6.225
   17   3HG2  ILE   5          HG22      ILE   5   4.916   3.631  -5.451
   18   1HD1  ILE   5          HD13      ILE   5   1.542   2.568  -6.320
   19   2HD1  ILE   5          HD12      ILE   5   1.094   3.867  -7.423
   20   3HD1  ILE   5          HD11      ILE   5   0.773   2.189  -7.861
   21    H    SER   6           HN       SER   6   6.609   2.884  -5.940
   22    HA   SER   6           HA       SER   6   7.255   0.383  -4.433
   23   1HB   SER   6           HB2      SER   6   9.502   0.755  -4.606
   24   2HB   SER   6           HB1      SER   6   9.059   1.715  -6.014
   25    HG   SER   6           HG       SER   6   9.703   3.405  -4.963
   26    H    CYS   7           HN       CYS   7   7.326   0.674  -2.146
   27    HA   CYS   7           HA       CYS   7   7.007   3.436  -1.119
   28   1HB   CYS   7           HB2      CYS   7   4.977   2.876   0.128
   29   2HB   CYS   7           HB1      CYS   7   4.710   2.616  -1.597
   30    H    THR   8           HN       THR   8   8.296   3.627   0.634
   31    HA   THR   8           HA       THR   8   9.080   1.159   2.101
   32    HB   THR   8           HB       THR   8  10.940   2.419   2.954
   33    HG1  THR   8           HG1      THR   8  10.469   4.788   1.733
   34   1HG2  THR   8          HG23      THR   8  11.101   1.692   0.578
   35   2HG2  THR   8          HG22      THR   8  10.496   3.271   0.081
   36   3HG2  THR   8          HG21      THR   8  12.050   3.143   0.905
   37    H    ASN   9           HN       ASN   9   6.608   3.183   2.238
   38    HA   ASN   9           HA       ASN   9   6.341   2.934   5.170
   39   1HB   ASN   9           HB2      ASN   9   5.497   5.583   4.181
   40   2HB   ASN   9           HB1      ASN   9   6.338   5.158   5.670
   41   1HD2  ASN   9          HD22      ASN   9   8.495   6.203   2.351
   42   2HD2  ASN   9          HD21      ASN   9   6.828   5.913   2.226
   43    HA   PRO  10           HA       PRO  10   2.124   2.329   4.127
   44   1HB   PRO  10           HB2      PRO  10   0.837   3.479   6.266
   45   2HB   PRO  10           HB1      PRO  10   1.715   1.943   6.361
   46   1HG   PRO  10           HG2      PRO  10   2.518   4.627   7.385
   47   2HG   PRO  10           HG1      PRO  10   2.985   3.020   7.964
   48   1HD   PRO  10           HD2      PRO  10   4.570   4.726   6.353
   49   2HD   PRO  10           HD1      PRO  10   4.873   3.001   6.661
   50    H    LYS  11           HN       LYS  11   2.760   5.676   5.204
   51    HA   LYS  11           HA       LYS  11   0.460   6.959   4.278
   52   1HB   LYS  11           HB2      LYS  11   2.243   8.844   3.619
   53   2HB   LYS  11           HB1      LYS  11   1.862   8.475   5.301
   54   1HG   LYS  11           HG2      LYS  11   3.831   7.260   5.621
   55   2HG   LYS  11           HG1      LYS  11   4.038   6.954   3.897
   56   1HD   LYS  11           HD2      LYS  11   4.642   9.266   3.495
   57   2HD   LYS  11           HD1      LYS  11   4.253   9.701   5.159
   58   1HE   LYS  11           HE2      LYS  11   6.147   7.485   5.026
   59   2HE   LYS  11           HE1      LYS  11   6.759   8.928   4.218
   60   1HZ   LYS  11           HZ1      LYS  11   5.763  10.028   6.395
   61   2HZ   LYS  11           HZ3      LYS  11   6.124   8.497   7.029
   62   3HZ   LYS  11           HZ2      LYS  11   7.353   9.433   6.322
   63    H    GLN  12           HN       GLN  12   3.147   5.692   2.390
   64    HA   GLN  12           HA       GLN  12   2.358   6.997  -0.084
   65   1HB   GLN  12           HB2      GLN  12   4.566   5.542   0.737
   66   2HB   GLN  12           HB1      GLN  12   3.753   4.424  -0.358
   67   1HG   GLN  12           HG2      GLN  12   4.326   7.312  -1.069
   68   2HG   GLN  12           HG1      GLN  12   5.413   5.983  -1.475
   69   1HE2  GLN  12          HE22      GLN  12   3.398   4.795  -4.138
   70   2HE2  GLN  12          HE21      GLN  12   4.767   4.518  -3.173
   71    H    CYS  13           HN       CYS  13   1.841   3.772   1.319
   72    HA   CYS  13           HA       CYS  13   0.127   2.932  -0.892
   73   1HB   CYS  13           HB2      CYS  13   0.911   1.752   1.766
   74   2HB   CYS  13           HB1      CYS  13  -0.405   1.046   0.827
   75    H    TYR  14           HN       TYR  14  -0.305   5.060   1.635
   76    HA   TYR  14           HA       TYR  14  -2.907   4.337   2.560
   77   1HB   TYR  14           HB2      TYR  14  -1.109   6.676   2.717
   78   2HB   TYR  14           HB1      TYR  14  -2.823   7.048   2.852
   79    HD1  TYR  14           HD1      TYR  14  -1.580   3.759   3.863
   80    HD2  TYR  14           HD2      TYR  14  -2.535   7.720   5.219
   81    HE1  TYR  14           HE1      TYR  14  -1.515   2.971   6.213
   82    HE2  TYR  14           HE2      TYR  14  -2.473   6.933   7.569
   83    HH   TYR  14           HH       TYR  14  -1.067   4.589   8.685
   84    HA   PRO  15           HA       PRO  15  -4.496   7.244  -0.888
   85   1HB   PRO  15           HB2      PRO  15  -2.598   8.295  -2.588
   86   2HB   PRO  15           HB1      PRO  15  -3.231   9.134  -1.158
   87   1HG   PRO  15           HG2      PRO  15  -0.569   7.881  -1.581
   88   2HG   PRO  15           HG1      PRO  15  -1.057   9.114  -0.414
   89   1HD   PRO  15           HD2      PRO  15  -0.654   6.365   0.170
   90   2HD   PRO  15           HD1      PRO  15  -1.397   7.585   1.217
   91    H    HIS  16           HN       HIS  16  -1.547   5.518  -1.959
   92    HA   HIS  16           HA       HIS  16  -2.429   4.827  -4.557
   93   1HB   HIS  16           HB2      HIS  16  -0.134   4.413  -3.942
   94   2HB   HIS  16           HB1      HIS  16  -0.621   3.342  -2.629
   95    HD1  HIS  16           HD1      HIS  16  -2.052   3.292  -6.144
   96    HD2  HIS  16           HD2      HIS  16   0.343   0.930  -3.680
   97    HE1  HIS  16           HE1      HIS  16  -1.723   1.093  -7.358
   98    H    CYS  17           HN       CYS  17  -2.865   3.067  -1.476
   99    HA   CYS  17           HA       CYS  17  -4.467   0.987  -2.748
  100   1HB   CYS  17           HB2      CYS  17  -3.854   1.712   0.118
  101   2HB   CYS  17           HB1      CYS  17  -5.043   0.472  -0.274
  102    H    LYS  18           HN       LYS  18  -5.074   4.043  -1.137
  103    HA   LYS  18           HA       LYS  18  -7.804   3.813  -0.513
  104   1HB   LYS  18           HB2      LYS  18  -6.648   5.796   0.146
  105   2HB   LYS  18           HB1      LYS  18  -6.174   6.155  -1.513
  106   1HG   LYS  18           HG2      LYS  18  -8.594   6.440  -2.090
  107   2HG   LYS  18           HG1      LYS  18  -8.985   6.227  -0.383
  108   1HD   LYS  18           HD2      LYS  18  -8.042   8.255   0.232
  109   2HD   LYS  18           HD1      LYS  18  -6.917   8.262  -1.128
  110   1HE   LYS  18           HE2      LYS  18  -8.341   9.563  -2.281
  111   2HE   LYS  18           HE1      LYS  18  -9.550   8.280  -2.211
  112   1HZ   LYS  18           HZ3      LYS  18  -9.187   9.888   0.193
  113   2HZ   LYS  18           HZ2      LYS  18  -9.930  10.653  -1.130
  114   3HZ   LYS  18           HZ1      LYS  18 -10.605   9.237  -0.474
  115    H    LYS  19           HN       LYS  19  -6.267   3.970  -3.630
  116    HA   LYS  19           HA       LYS  19  -8.914   4.388  -4.939
  117   1HB   LYS  19           HB2      LYS  19  -6.693   5.700  -5.518
  118   2HB   LYS  19           HB1      LYS  19  -6.331   4.251  -6.457
  119   1HG   LYS  19           HG2      LYS  19  -7.668   5.018  -8.094
  120   2HG   LYS  19           HG1      LYS  19  -9.039   4.902  -6.989
  121   1HD   LYS  19           HD2      LYS  19  -7.233   7.269  -6.722
  122   2HD   LYS  19           HD1      LYS  19  -8.343   7.230  -8.091
  123   1HE   LYS  19           HE2      LYS  19  -9.231   6.746  -5.238
  124   2HE   LYS  19           HE1      LYS  19  -9.264   8.336  -6.000
  125   1HZ   LYS  19           HZ2      LYS  19 -10.434   6.539  -7.771
  126   2HZ   LYS  19           HZ1      LYS  19 -11.116   6.236  -6.245
  127   3HZ   LYS  19           HZ3      LYS  19 -11.189   7.794  -6.910
  128    H    GLU  20           HN       GLU  20  -6.538   1.989  -4.248
  129    HA   GLU  20           HA       GLU  20  -7.173   0.231  -6.458
  130   1HB   GLU  20           HB2      GLU  20  -5.502   0.128  -4.023
  131   2HB   GLU  20           HB1      GLU  20  -6.132  -1.427  -4.566
  132   1HG   GLU  20           HG2      GLU  20  -4.789   0.505  -6.462
  133   2HG   GLU  20           HG1      GLU  20  -3.877  -0.702  -5.555
  134    H    THR  21           HN       THR  21  -7.882   0.006  -2.948
  135    HA   THR  21           HA       THR  21 -10.347  -1.525  -3.694
  136    HB   THR  21           HB       THR  21  -8.981  -3.091  -2.576
  137    HG1  THR  21           HG1      THR  21 -10.169  -2.067  -0.280
  138   1HG2  THR  21          HG23      THR  21  -8.297  -0.886  -0.612
  139   2HG2  THR  21          HG22      THR  21  -7.693  -2.542  -0.546
  140   3HG2  THR  21          HG21      THR  21  -7.240  -1.491  -1.887
  141    H    GLY  22           HN       GLY  22  -9.209   1.342  -2.389
  142   1HA   GLY  22           HA2      GLY  22 -10.745   3.086  -1.709
  143   2HA   GLY  22           HA1      GLY  22 -11.836   1.835  -1.130
  144    H    TYR  23           HN       TYR  23 -10.063   0.290   0.399
  145    HA   TYR  23           HA       TYR  23  -9.907   1.895   2.805
  146   1HB   TYR  23           HB2      TYR  23  -8.916  -0.890   2.141
  147   2HB   TYR  23           HB1      TYR  23  -8.798  -0.174   3.748
  148    HD1  TYR  23           HD2      TYR  23 -11.669   1.130   2.161
  149    HD2  TYR  23           HD1      TYR  23 -10.219  -2.405   4.128
  150    HE1  TYR  23           HE2      TYR  23 -14.001   0.438   2.640
  151    HE2  TYR  23           HE1      TYR  23 -12.552  -3.094   4.603
  152    HH   TYR  23           HH       TYR  23 -14.800  -2.699   3.717
  153    HA   PRO  24           HA       PRO  24  -5.808   3.382   1.805
  154   1HB   PRO  24           HB2      PRO  24  -5.626   5.061   3.977
  155   2HB   PRO  24           HB1      PRO  24  -6.503   5.470   2.493
  156   1HG   PRO  24           HG2      PRO  24  -7.589   4.682   5.155
  157   2HG   PRO  24           HG1      PRO  24  -8.337   5.663   3.883
  158   1HD   PRO  24           HD2      PRO  24  -8.903   2.943   4.429
  159   2HD   PRO  24           HD1      PRO  24  -9.392   3.841   2.977
  160    H    ASN  25           HN       ASN  25  -6.875   1.893   4.783
  161    HA   ASN  25           HA       ASN  25  -4.420   1.719   6.187
  162   1HB   ASN  25           HB2      ASN  25  -6.831  -0.099   6.071
  163   2HB   ASN  25           HB1      ASN  25  -5.453  -0.442   7.117
  164   1HD2  ASN  25          HD22      ASN  25  -8.172   1.964   8.589
  165   2HD2  ASN  25          HD21      ASN  25  -8.422   0.712   7.469
  166    H    ALA  26           HN       ALA  26  -2.635   1.176   4.911
  167    HA   ALA  26           HA       ALA  26  -2.628  -1.614   3.874
  168   1HB   ALA  26           HB3      ALA  26  -1.806   0.859   2.331
  169   2HB   ALA  26           HB2      ALA  26  -1.373  -0.780   1.846
  170   3HB   ALA  26           HB1      ALA  26  -3.069  -0.295   1.903
  171    H    LYS  27           HN       LYS  27  -0.352  -2.347   3.426
  172    HA   LYS  27           HA       LYS  27   1.639  -0.883   5.106
  173   1HB   LYS  27           HB2      LYS  27   0.952  -3.828   5.105
  174   2HB   LYS  27           HB1      LYS  27   2.498  -3.231   5.710
  175   1HG   LYS  27           HG2      LYS  27   0.982  -1.572   7.086
  176   2HG   LYS  27           HG1      LYS  27  -0.261  -2.791   6.807
  177   1HD   LYS  27           HD2      LYS  27   0.930  -3.212   8.929
  178   2HD   LYS  27           HD1      LYS  27   1.209  -4.518   7.775
  179   1HE   LYS  27           HE2      LYS  27   3.421  -4.003   7.522
  180   2HE   LYS  27           HE1      LYS  27   3.136  -2.267   7.654
  181   1HZ   LYS  27           HZ2      LYS  27   2.761  -3.979  10.013
  182   2HZ   LYS  27           HZ1      LYS  27   4.335  -3.533   9.554
  183   3HZ   LYS  27           HZ3      LYS  27   3.191  -2.337   9.931
  184    H    CYS  28           HN       CYS  28   3.927  -1.572   4.524
  185    HA   CYS  28           HA       CYS  28   4.063  -2.280   1.619
  186   1HB   CYS  28           HB2      CYS  28   5.736  -0.354   3.250
  187   2HB   CYS  28           HB1      CYS  28   6.212  -0.916   1.648
  188    H    MET  29           HN       MET  29   6.065  -3.435   0.985
  189    HA   MET  29           HA       MET  29   7.567  -4.701   3.203
  190   1HB   MET  29           HB2      MET  29   5.698  -6.118   1.334
  191   2HB   MET  29           HB1      MET  29   7.169  -6.943   1.851
  192   1HG   MET  29           HG2      MET  29   6.166  -5.825   4.200
  193   2HG   MET  29           HG1      MET  29   4.729  -6.404   3.357
  194   1HE   MET  29           HE1      MET  29   4.003  -7.738   4.719
  195   2HE   MET  29           HE3      MET  29   4.185  -9.437   4.260
  196   3HE   MET  29           HE2      MET  29   4.860  -8.854   5.781
  197    H    ASN  30           HN       ASN  30   9.516  -3.856   2.486
  198    HA   ASN  30           HA       ASN  30  11.288  -3.382   1.001
  199   1HB   ASN  30           HB2      ASN  30  11.926  -5.547  -0.302
  200   2HB   ASN  30           HB1      ASN  30  11.991  -5.574   1.459
  201   1HD2  ASN  30          HD22      ASN  30   9.138  -7.772  -0.490
  202   2HD2  ASN  30          HD21      ASN  30  10.028  -6.601  -1.339
  203    H    ARG  31           HN       ARG  31   9.237  -2.129  -0.084
  204    HA   ARG  31           HA       ARG  31   8.649  -1.181  -2.152
  205   1HB   ARG  31           HB2      ARG  31  10.165  -3.426  -3.494
  206   2HB   ARG  31           HB1      ARG  31   9.754  -1.847  -4.158
  207   1HG   ARG  31           HG2      ARG  31  11.214  -0.752  -2.509
  208   2HG   ARG  31           HG1      ARG  31  11.616  -2.321  -1.811
  209   1HD   ARG  31           HD2      ARG  31  13.416  -1.906  -3.273
  210   2HD   ARG  31           HD1      ARG  31  12.360  -2.957  -4.218
  211    HE   ARG  31           HE       ARG  31  11.860  -0.093  -4.602
  212   1HH1  ARG  31          HH11      ARG  31  11.791  -2.750  -6.375
  213   2HH1  ARG  31          HH12      ARG  31  12.895  -2.259  -7.617
  214   1HH2  ARG  31          HH21      ARG  31  14.068   0.487  -5.857
  215   2HH2  ARG  31          HH22      ARG  31  14.185  -0.430  -7.323
  216    H    LYS  32           HN       LYS  32   7.191  -3.452  -0.765
  217    HA   LYS  32           HA       LYS  32   5.584  -4.270  -3.153
  218   1HB   LYS  32           HB2      LYS  32   6.470  -5.916  -0.794
  219   2HB   LYS  32           HB1      LYS  32   4.976  -6.313  -1.636
  220   1HG   LYS  32           HG2      LYS  32   7.252  -5.793  -3.431
  221   2HG   LYS  32           HG1      LYS  32   7.467  -7.199  -2.388
  222   1HD   LYS  32           HD2      LYS  32   5.243  -8.047  -3.115
  223   2HD   LYS  32           HD1      LYS  32   5.102  -6.673  -4.212
  224   1HE   LYS  32           HE2      LYS  32   7.389  -8.658  -4.298
  225   2HE   LYS  32           HE1      LYS  32   5.948  -8.781  -5.308
  226   1HZ   LYS  32           HZ3      LYS  32   6.470  -6.438  -6.025
  227   2HZ   LYS  32           HZ2      LYS  32   7.989  -6.637  -5.289
  228   3HZ   LYS  32           HZ1      LYS  32   7.531  -7.639  -6.582
  229    H    CYS  33           HN       CYS  33   3.842  -2.918  -2.975
  230    HA   CYS  33           HA       CYS  33   2.781  -2.032  -0.432
  231   1HB   CYS  33           HB2      CYS  33   2.585  -0.814  -2.662
  232   2HB   CYS  33           HB1      CYS  33   1.343  -1.988  -3.094
  233    H    LYS  34           HN       LYS  34   0.657  -2.565   0.416
  234    HA   LYS  34           HA       LYS  34  -0.674  -4.982  -0.610
  235   1HB   LYS  34           HB2      LYS  34   1.152  -5.832   0.879
  236   2HB   LYS  34           HB1      LYS  34   0.447  -4.910   2.208
  237   1HG   LYS  34           HG2      LYS  34  -0.865  -6.695   2.621
  238   2HG   LYS  34           HG1      LYS  34  -1.705  -6.326   1.114
  239   1HD   LYS  34           HD2      LYS  34  -0.794  -8.104   0.059
  240   2HD   LYS  34           HD1      LYS  34   0.821  -7.721   0.657
  241   1HE   LYS  34           HE2      LYS  34  -1.091  -8.763   2.673
  242   2HE   LYS  34           HE1      LYS  34  -0.564  -9.913   1.445
  243   1HZ   LYS  34           HZ2      LYS  34   1.492  -8.242   2.656
  244   2HZ   LYS  34           HZ1      LYS  34   0.812  -9.446   3.644
  245   3HZ   LYS  34           HZ3      LYS  34   1.556  -9.872   2.180
  246    H    CYS  35           HN       CYS  35  -2.640  -3.927  -0.780
  247    HA   CYS  35           HA       CYS  35  -3.578  -2.089   1.279
  248   1HB   CYS  35           HB2      CYS  35  -5.302  -3.350  -0.854
  249   2HB   CYS  35           HB1      CYS  35  -5.467  -1.760  -0.108
  250    H    PHE  36           HN       PHE  36  -5.497  -2.455   2.599
  251    HA   PHE  36           HA       PHE  36  -5.713  -5.289   3.458
  252   1HB   PHE  36           HB2      PHE  36  -6.430  -2.642   4.714
  253   2HB   PHE  36           HB1      PHE  36  -7.096  -4.148   5.344
  254    HD1  PHE  36           HD1      PHE  36  -3.853  -4.456   3.783
  255    HD2  PHE  36           HD2      PHE  36  -5.839  -3.528   7.479
  256    HE1  PHE  36           HE1      PHE  36  -1.746  -4.875   5.022
  257    HE2  PHE  36           HE2      PHE  36  -3.731  -3.947   8.716
  258    HZ   PHE  36           HZ       PHE  36  -1.686  -4.621   7.487
  259    H    GLY  37           HN       GLY  37  -6.953  -4.756   1.000
  260   1HA   GLY  37           HA2      GLY  37  -9.648  -3.956   1.054
  261   2HA   GLY  37           HA1      GLY  37  -9.008  -5.166  -0.059
  262    H    ARG  38           HN       ARG  38  -8.184  -6.933   2.197
  263    HA   ARG  38           HA       ARG  38 -10.856  -7.769   3.171
  264   1HB   ARG  38           HB2      ARG  38  -8.708  -9.648   2.161
  265   2HB   ARG  38           HB1      ARG  38 -10.328 -10.092   2.697
  266   1HG   ARG  38           HG2      ARG  38 -11.006  -9.850   0.561
  267   2HG   ARG  38           HG1      ARG  38 -10.734  -8.117   0.747
  268   1HD   ARG  38           HD2      ARG  38  -8.195  -9.344   0.327
  269   2HD   ARG  38           HD1      ARG  38  -9.297  -9.964  -0.901
  270    HE   ARG  38           HE       ARG  38  -8.772  -7.051  -0.464
  271   1HH1  ARG  38          HH21      ARG  38 -10.791  -9.132  -2.122
  272   2HH1  ARG  38          HH22      ARG  38 -10.430  -8.521  -3.702
  273   1HH2  ARG  38          HH11      ARG  38  -7.806  -6.527  -2.620
  274   2HH2  ARG  38          HH12      ARG  38  -8.737  -7.049  -3.984
   
  No H/Q in entry =         274